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/Desitst2_72000-d283d032/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Desitst2_72000-d283d032/inputs/seq.fa: 2
curr_seq: _AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG_
curr_seq: _AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG
chainId: B, chainSeq: AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/Desitst2_72000-d283d032/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Desitst2_72000-d283d032/inputs/seq.fa: 2
curr_seq: _AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG_
curr_seq: _AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG
chainId: B, chainSeq: AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/Desitst2_72000-d283d032/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Desitst2_72000-d283d032/inputs/seq.fa: 2
curr_seq: _AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG_
curr_seq: _AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG
chainId: B, chainSeq: AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/Desitst2_72000-d283d032/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Desitst2_72000-d283d032/inputs/seq.fa: 2
curr_seq: _AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG_
curr_seq: _AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG
chainId: B, chainSeq: AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/Desitst2_72000-d283d032/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Desitst2_72000-d283d032/inputs/seq.fa: 2
curr_seq: _AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG_
curr_seq: _AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG
chainId: B, chainSeq: AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/Desitst2_72000-d283d032/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Desitst2_72000-d283d032/inputs/seq.fa: 2
curr_seq: _AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG_
curr_seq: _AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG
chainId: B, chainSeq: AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/Desitst2_72000-d283d032/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Desitst2_72000-d283d032/inputs/seq.fa: 2
curr_seq: _AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG_
curr_seq: _AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG
chainId: B, chainSeq: AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/Desitst2_72000-d283d032/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Desitst2_72000-d283d032/inputs/seq.fa: 2
curr_seq: _AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG_
curr_seq: _AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG
chainId: B, chainSeq: AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/Desitst2_72000-d283d032/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Desitst2_72000-d283d032/inputs/seq.fa: 2
curr_seq: _AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG_
curr_seq: _AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG
chainId: B, chainSeq: AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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/Desitst2_72000-d283d032/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Desitst2_72000-d283d032/inputs/seq.fa: 2
curr_seq: _AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG_
curr_seq: _AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: AGAGGUUCUAGCACAACCCUCUAUAAAAAACUAGAAUGCAUAGUUAAAACUAG
chainId: B, chainSeq: AGAGGUUCUAGCAAAUCCCUCUAUAAAAAACUAGUUUUAAUAGAGCAUUCUAG
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 53 nucleotides
chain B contains 53 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: 540
n_atoms_counter: 540
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 106.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 106.000000 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: -428.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.359395 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -428.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.359395 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -428.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.359395 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -428.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.359395 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -428.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.359395 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -428.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.359395 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -428.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.359395 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -428.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.359395 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -428.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.359395 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -428.359395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.359395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.359395 (E_RNA)
where:
Base-Base interactions energy: -15.128
where: short stacking energy: -15.128
Base-Backbone interact. energy: -0.000
local terms energy: -413.231456
where:
bonds (distance) C4'-P energy: -102.987
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -77.828
flat angles P-C4'-P energy: -89.027
tors. eta vs tors. theta energy: -46.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -524.083189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.083189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.083189 (E_RNA)
where:
Base-Base interactions energy: -205.586
where: short stacking energy: -191.311
Base-Backbone interact. energy: -0.174
local terms energy: -318.323343
where:
bonds (distance) C4'-P energy: -63.734
bonds (distance) P-C4' energy: -73.112
flat angles C4'-P-C4' energy: -69.885
flat angles P-C4'-P energy: -59.477
tors. eta vs tors. theta energy: -52.115
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: 2
Temperature: 0.950000
Total energy: -518.698766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.698766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.698766 (E_RNA)
where:
Base-Base interactions energy: -209.591
where: short stacking energy: -203.764
Base-Backbone interact. energy: -0.109
local terms energy: -308.999135
where:
bonds (distance) C4'-P energy: -66.871
bonds (distance) P-C4' energy: -74.312
flat angles C4'-P-C4' energy: -71.116
flat angles P-C4'-P energy: -46.639
tors. eta vs tors. theta energy: -50.061
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -457.994648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.994648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.994648 (E_RNA)
where:
Base-Base interactions energy: -159.647
where: short stacking energy: -158.685
Base-Backbone interact. energy: -0.152
local terms energy: -298.396325
where:
bonds (distance) C4'-P energy: -71.635
bonds (distance) P-C4' energy: -71.684
flat angles C4'-P-C4' energy: -59.613
flat angles P-C4'-P energy: -41.213
tors. eta vs tors. theta energy: -54.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.200 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -444.721950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.721950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.721950 (E_RNA)
where:
Base-Base interactions energy: -180.662
where: short stacking energy: -180.065
Base-Backbone interact. energy: -0.497
local terms energy: -263.562834
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -61.358
flat angles C4'-P-C4' energy: -61.950
flat angles P-C4'-P energy: -43.718
tors. eta vs tors. theta energy: -37.609
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -433.503079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.503079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.503079 (E_RNA)
where:
Base-Base interactions energy: -52.613
where: short stacking energy: -52.613
Base-Backbone interact. energy: -0.000
local terms energy: -380.889838
where:
bonds (distance) C4'-P energy: -89.153
bonds (distance) P-C4' energy: -80.391
flat angles C4'-P-C4' energy: -77.547
flat angles P-C4'-P energy: -84.044
tors. eta vs tors. theta energy: -49.754
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -428.883826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.883826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.883826 (E_RNA)
where:
Base-Base interactions energy: -16.045
where: short stacking energy: -16.045
Base-Backbone interact. energy: -0.000
local terms energy: -412.838658
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -77.531
flat angles P-C4'-P energy: -88.905
tors. eta vs tors. theta energy: -46.916
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -428.862888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.862888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.862888 (E_RNA)
where:
Base-Base interactions energy: -16.045
where: short stacking energy: -16.045
Base-Backbone interact. energy: -0.000
local terms energy: -412.818076
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -77.531
flat angles P-C4'-P energy: -88.905
tors. eta vs tors. theta energy: -46.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -428.914561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.914561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.914561 (E_RNA)
where:
Base-Base interactions energy: -16.096
where: short stacking energy: -16.096
Base-Backbone interact. energy: -0.000
local terms energy: -412.818076
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -77.531
flat angles P-C4'-P energy: -88.905
tors. eta vs tors. theta energy: -46.895
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -429.044936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.044936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.044936 (E_RNA)
where:
Base-Base interactions energy: -16.402
where: short stacking energy: -16.402
Base-Backbone interact. energy: -0.000
local terms energy: -412.642696
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -77.531
flat angles P-C4'-P energy: -88.905
tors. eta vs tors. theta energy: -46.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -429.043824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.043824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.043824 (E_RNA)
where:
Base-Base interactions energy: -16.401
where: short stacking energy: -16.401
Base-Backbone interact. energy: -0.000
local terms energy: -412.642696
where:
bonds (distance) C4'-P energy: -102.871
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -77.531
flat angles P-C4'-P energy: -88.905
tors. eta vs tors. theta energy: -46.720
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -554.778109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.778109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.778109 (E_RNA)
where:
Base-Base interactions energy: -239.439
where: short stacking energy: -205.969
Base-Backbone interact. energy: -0.198
local terms energy: -315.141656
where:
bonds (distance) C4'-P energy: -68.285
bonds (distance) P-C4' energy: -75.850
flat angles C4'-P-C4' energy: -71.209
flat angles P-C4'-P energy: -41.639
tors. eta vs tors. theta energy: -58.159
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -501.428529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.428529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.428529 (E_RNA)
where:
Base-Base interactions energy: -227.173
where: short stacking energy: -185.224
Base-Backbone interact. energy: 1.511
local terms energy: -275.766952
where:
bonds (distance) C4'-P energy: -71.470
bonds (distance) P-C4' energy: -60.640
flat angles C4'-P-C4' energy: -64.811
flat angles P-C4'-P energy: -36.274
tors. eta vs tors. theta energy: -42.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -470.498711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.498711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.498711 (E_RNA)
where:
Base-Base interactions energy: -206.893
where: short stacking energy: -186.734
Base-Backbone interact. energy: 0.118
local terms energy: -263.723723
where:
bonds (distance) C4'-P energy: -54.446
bonds (distance) P-C4' energy: -67.619
flat angles C4'-P-C4' energy: -59.851
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -41.991
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -427.077124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.077124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.077124 (E_RNA)
where:
Base-Base interactions energy: -167.637
where: short stacking energy: -150.460
Base-Backbone interact. energy: -1.439
local terms energy: -258.001682
where:
bonds (distance) C4'-P energy: -71.140
bonds (distance) P-C4' energy: -61.865
flat angles C4'-P-C4' energy: -60.069
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -29.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -386.646668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.646668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.646668 (E_RNA)
where:
Base-Base interactions energy: -156.720
where: short stacking energy: -141.767
Base-Backbone interact. energy: -0.460
local terms energy: -229.465831
where:
bonds (distance) C4'-P energy: -67.672
bonds (distance) P-C4' energy: -48.453
flat angles C4'-P-C4' energy: -58.641
flat angles P-C4'-P energy: -37.823
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -364.529425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.529425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.529425 (E_RNA)
where:
Base-Base interactions energy: -134.562
where: short stacking energy: -112.312
Base-Backbone interact. energy: -1.015
local terms energy: -228.952592
where:
bonds (distance) C4'-P energy: -56.179
bonds (distance) P-C4' energy: -69.862
flat angles C4'-P-C4' energy: -47.360
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -346.003002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.003002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.003002 (E_RNA)
where:
Base-Base interactions energy: -120.791
where: short stacking energy: -109.408
Base-Backbone interact. energy: -0.301
local terms energy: -224.911781
where:
bonds (distance) C4'-P energy: -59.708
bonds (distance) P-C4' energy: -68.451
flat angles C4'-P-C4' energy: -55.910
flat angles P-C4'-P energy: -30.057
tors. eta vs tors. theta energy: -10.785
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -295.281562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.281562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.281562 (E_RNA)
where:
Base-Base interactions energy: -103.744
where: short stacking energy: -79.494
Base-Backbone interact. energy: -1.327
local terms energy: -190.210321
where:
bonds (distance) C4'-P energy: -65.655
bonds (distance) P-C4' energy: -58.803
flat angles C4'-P-C4' energy: -51.839
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: 8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -275.619496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.619496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.619496 (E_RNA)
where:
Base-Base interactions energy: -84.273
where: short stacking energy: -78.287
Base-Backbone interact. energy: -0.567
local terms energy: -190.779387
where:
bonds (distance) C4'-P energy: -66.781
bonds (distance) P-C4' energy: -58.083
flat angles C4'-P-C4' energy: -45.345
flat angles P-C4'-P energy: -29.714
tors. eta vs tors. theta energy: 9.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -266.600950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.600950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.600950 (E_RNA)
where:
Base-Base interactions energy: -88.215
where: short stacking energy: -65.330
Base-Backbone interact. energy: -0.605
local terms energy: -177.781597
where:
bonds (distance) C4'-P energy: -58.044
bonds (distance) P-C4' energy: -58.582
flat angles C4'-P-C4' energy: -49.669
flat angles P-C4'-P energy: -32.132
tors. eta vs tors. theta energy: 20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -547.274979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.274979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.274979 (E_RNA)
where:
Base-Base interactions energy: -241.613
where: short stacking energy: -222.402
Base-Backbone interact. energy: 1.073
local terms energy: -306.734803
where:
bonds (distance) C4'-P energy: -72.533
bonds (distance) P-C4' energy: -77.018
flat angles C4'-P-C4' energy: -67.733
flat angles P-C4'-P energy: -42.874
tors. eta vs tors. theta energy: -46.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -515.253950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.253950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.253950 (E_RNA)
where:
Base-Base interactions energy: -222.959
where: short stacking energy: -180.133
Base-Backbone interact. energy: -1.080
local terms energy: -291.214446
where:
bonds (distance) C4'-P energy: -61.963
bonds (distance) P-C4' energy: -75.071
flat angles C4'-P-C4' energy: -72.791
flat angles P-C4'-P energy: -46.185
tors. eta vs tors. theta energy: -35.204
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: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -489.067781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.067781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.067781 (E_RNA)
where:
Base-Base interactions energy: -184.586
where: short stacking energy: -175.599
Base-Backbone interact. energy: -0.747
local terms energy: -303.734120
where:
bonds (distance) C4'-P energy: -72.355
bonds (distance) P-C4' energy: -73.395
flat angles C4'-P-C4' energy: -67.284
flat angles P-C4'-P energy: -49.139
tors. eta vs tors. theta energy: -41.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -454.383542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.383542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.383542 (E_RNA)
where:
Base-Base interactions energy: -185.949
where: short stacking energy: -179.361
Base-Backbone interact. energy: -0.531
local terms energy: -267.903512
where:
bonds (distance) C4'-P energy: -64.350
bonds (distance) P-C4' energy: -63.738
flat angles C4'-P-C4' energy: -55.857
flat angles P-C4'-P energy: -35.381
tors. eta vs tors. theta energy: -48.578
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: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -410.221021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.221021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.221021 (E_RNA)
where:
Base-Base interactions energy: -144.105
where: short stacking energy: -119.262
Base-Backbone interact. energy: -2.800
local terms energy: -263.315618
where:
bonds (distance) C4'-P energy: -70.435
bonds (distance) P-C4' energy: -64.320
flat angles C4'-P-C4' energy: -64.182
flat angles P-C4'-P energy: -41.237
tors. eta vs tors. theta energy: -23.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -369.747496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.747496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.747496 (E_RNA)
where:
Base-Base interactions energy: -137.914
where: short stacking energy: -103.893
Base-Backbone interact. energy: -0.220
local terms energy: -231.613812
where:
bonds (distance) C4'-P energy: -55.097
bonds (distance) P-C4' energy: -61.786
flat angles C4'-P-C4' energy: -59.311
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -340.146727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.146727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.146727 (E_RNA)
where:
Base-Base interactions energy: -96.471
where: short stacking energy: -94.791
Base-Backbone interact. energy: 2.118
local terms energy: -246.096912
where:
bonds (distance) C4'-P energy: -66.810
bonds (distance) P-C4' energy: -71.160
flat angles C4'-P-C4' energy: -75.606
flat angles P-C4'-P energy: -27.746
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.303 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -316.736690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.736690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.736690 (E_RNA)
where:
Base-Base interactions energy: -117.174
where: short stacking energy: -90.018
Base-Backbone interact. energy: 0.535
local terms energy: -201.370001
where:
bonds (distance) C4'-P energy: -49.983
bonds (distance) P-C4' energy: -59.875
flat angles C4'-P-C4' energy: -49.556
flat angles P-C4'-P energy: -35.760
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.273 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -303.698330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.698330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.698330 (E_RNA)
where:
Base-Base interactions energy: -116.099
where: short stacking energy: -105.743
Base-Backbone interact. energy: -0.887
local terms energy: -186.712131
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -56.374
flat angles C4'-P-C4' energy: -47.449
flat angles P-C4'-P energy: -29.102
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -265.841213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.841213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.841213 (E_RNA)
where:
Base-Base interactions energy: -83.469
where: short stacking energy: -79.785
Base-Backbone interact. energy: 1.315
local terms energy: -183.687685
where:
bonds (distance) C4'-P energy: -66.408
bonds (distance) P-C4' energy: -43.286
flat angles C4'-P-C4' energy: -49.676
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: 11.325
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -570.421466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.421466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.421466 (E_RNA)
where:
Base-Base interactions energy: -261.292
where: short stacking energy: -195.442
Base-Backbone interact. energy: -0.316
local terms energy: -308.813559
where:
bonds (distance) C4'-P energy: -72.780
bonds (distance) P-C4' energy: -69.679
flat angles C4'-P-C4' energy: -67.648
flat angles P-C4'-P energy: -48.337
tors. eta vs tors. theta energy: -50.369
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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -559.970634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.970634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.970634 (E_RNA)
where:
Base-Base interactions energy: -266.314
where: short stacking energy: -167.563
Base-Backbone interact. energy: -0.475
local terms energy: -293.181415
where:
bonds (distance) C4'-P energy: -57.259
bonds (distance) P-C4' energy: -76.620
flat angles C4'-P-C4' energy: -73.600
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: -38.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -573.253474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.253474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.253474 (E_RNA)
where:
Base-Base interactions energy: -302.789
where: short stacking energy: -176.148
Base-Backbone interact. energy: -0.490
local terms energy: -269.974194
where:
bonds (distance) C4'-P energy: -65.294
bonds (distance) P-C4' energy: -78.010
flat angles C4'-P-C4' energy: -58.905
flat angles P-C4'-P energy: -38.644
tors. eta vs tors. theta energy: -29.122
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -459.239708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.239708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.239708 (E_RNA)
where:
Base-Base interactions energy: -193.196
where: short stacking energy: -183.364
Base-Backbone interact. energy: -0.424
local terms energy: -265.619164
where:
bonds (distance) C4'-P energy: -58.320
bonds (distance) P-C4' energy: -60.034
flat angles C4'-P-C4' energy: -71.076
flat angles P-C4'-P energy: -40.666
tors. eta vs tors. theta energy: -35.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -377.407595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.407595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.407595 (E_RNA)
where:
Base-Base interactions energy: -165.632
where: short stacking energy: -131.675
Base-Backbone interact. energy: 2.405
local terms energy: -214.181300
where:
bonds (distance) C4'-P energy: -58.547
bonds (distance) P-C4' energy: -67.188
flat angles C4'-P-C4' energy: -48.963
flat angles P-C4'-P energy: -28.539
tors. eta vs tors. theta energy: -10.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -367.231900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.231900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.231900 (E_RNA)
where:
Base-Base interactions energy: -141.949
where: short stacking energy: -118.462
Base-Backbone interact. energy: -0.389
local terms energy: -224.893351
where:
bonds (distance) C4'-P energy: -59.304
bonds (distance) P-C4' energy: -62.605
flat angles C4'-P-C4' energy: -51.388
flat angles P-C4'-P energy: -39.416
tors. eta vs tors. theta energy: -12.180
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: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -342.150718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.150718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.150718 (E_RNA)
where:
Base-Base interactions energy: -142.494
where: short stacking energy: -125.252
Base-Backbone interact. energy: -0.404
local terms energy: -199.252766
where:
bonds (distance) C4'-P energy: -64.664
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -44.524
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -309.629236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.629236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.629236 (E_RNA)
where:
Base-Base interactions energy: -111.559
where: short stacking energy: -83.564
Base-Backbone interact. energy: 0.300
local terms energy: -198.369958
where:
bonds (distance) C4'-P energy: -60.265
bonds (distance) P-C4' energy: -67.647
flat angles C4'-P-C4' energy: -41.509
flat angles P-C4'-P energy: -29.039
tors. eta vs tors. theta energy: 0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -296.390143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.390143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.390143 (E_RNA)
where:
Base-Base interactions energy: -105.406
where: short stacking energy: -95.473
Base-Backbone interact. energy: -0.329
local terms energy: -190.655508
where:
bonds (distance) C4'-P energy: -57.201
bonds (distance) P-C4' energy: -57.865
flat angles C4'-P-C4' energy: -65.981
flat angles P-C4'-P energy: -19.878
tors. eta vs tors. theta energy: 10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -270.057430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.057430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.057430 (E_RNA)
where:
Base-Base interactions energy: -95.626
where: short stacking energy: -73.129
Base-Backbone interact. energy: -1.029
local terms energy: -173.402218
where:
bonds (distance) C4'-P energy: -48.612
bonds (distance) P-C4' energy: -42.621
flat angles C4'-P-C4' energy: -61.479
flat angles P-C4'-P energy: -24.803
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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -692.246243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.246243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.246243 (E_RNA)
where:
Base-Base interactions energy: -374.166
where: short stacking energy: -223.912
Base-Backbone interact. energy: -0.917
local terms energy: -317.162992
where:
bonds (distance) C4'-P energy: -74.500
bonds (distance) P-C4' energy: -71.294
flat angles C4'-P-C4' energy: -65.876
flat angles P-C4'-P energy: -50.349
tors. eta vs tors. theta energy: -55.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -526.664242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.664242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.664242 (E_RNA)
where:
Base-Base interactions energy: -248.034
where: short stacking energy: -182.705
Base-Backbone interact. energy: -0.958
local terms energy: -277.671438
where:
bonds (distance) C4'-P energy: -66.613
bonds (distance) P-C4' energy: -73.894
flat angles C4'-P-C4' energy: -62.208
flat angles P-C4'-P energy: -44.128
tors. eta vs tors. theta energy: -30.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -592.711088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.711088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.711088 (E_RNA)
where:
Base-Base interactions energy: -320.192
where: short stacking energy: -190.244
Base-Backbone interact. energy: 0.529
local terms energy: -273.048622
where:
bonds (distance) C4'-P energy: -53.082
bonds (distance) P-C4' energy: -65.164
flat angles C4'-P-C4' energy: -67.053
flat angles P-C4'-P energy: -47.552
tors. eta vs tors. theta energy: -40.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -422.757795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.757795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.757795 (E_RNA)
where:
Base-Base interactions energy: -164.667
where: short stacking energy: -128.705
Base-Backbone interact. energy: 1.139
local terms energy: -259.229620
where:
bonds (distance) C4'-P energy: -62.308
bonds (distance) P-C4' energy: -70.275
flat angles C4'-P-C4' energy: -66.141
flat angles P-C4'-P energy: -46.683
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -400.390407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.390407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.390407 (E_RNA)
where:
Base-Base interactions energy: -166.349
where: short stacking energy: -143.400
Base-Backbone interact. energy: 1.703
local terms energy: -235.744700
where:
bonds (distance) C4'-P energy: -61.293
bonds (distance) P-C4' energy: -76.892
flat angles C4'-P-C4' energy: -47.963
flat angles P-C4'-P energy: -32.201
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -404.315592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.315592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.315592 (E_RNA)
where:
Base-Base interactions energy: -170.253
where: short stacking energy: -118.261
Base-Backbone interact. energy: -2.101
local terms energy: -231.960843
where:
bonds (distance) C4'-P energy: -70.471
bonds (distance) P-C4' energy: -59.543
flat angles C4'-P-C4' energy: -57.607
flat angles P-C4'-P energy: -30.106
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -348.474822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.474822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.474822 (E_RNA)
where:
Base-Base interactions energy: -132.160
where: short stacking energy: -108.937
Base-Backbone interact. energy: -0.875
local terms energy: -215.439928
where:
bonds (distance) C4'-P energy: -44.103
bonds (distance) P-C4' energy: -60.594
flat angles C4'-P-C4' energy: -50.577
flat angles P-C4'-P energy: -45.221
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: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -318.137075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.137075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.137075 (E_RNA)
where:
Base-Base interactions energy: -102.961
where: short stacking energy: -99.165
Base-Backbone interact. energy: -0.548
local terms energy: -214.627692
where:
bonds (distance) C4'-P energy: -60.774
bonds (distance) P-C4' energy: -68.666
flat angles C4'-P-C4' energy: -48.529
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -279.984529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.984529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.984529 (E_RNA)
where:
Base-Base interactions energy: -89.174
where: short stacking energy: -84.976
Base-Backbone interact. energy: -1.677
local terms energy: -189.133176
where:
bonds (distance) C4'-P energy: -51.728
bonds (distance) P-C4' energy: -66.954
flat angles C4'-P-C4' energy: -45.893
flat angles P-C4'-P energy: -30.532
tors. eta vs tors. theta energy: 5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -254.524250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.524250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.524250 (E_RNA)
where:
Base-Base interactions energy: -84.812
where: short stacking energy: -72.163
Base-Backbone interact. energy: 4.692
local terms energy: -174.404194
where:
bonds (distance) C4'-P energy: -56.242
bonds (distance) P-C4' energy: -68.194
flat angles C4'-P-C4' energy: -35.409
flat angles P-C4'-P energy: -30.468
tors. eta vs tors. theta energy: 15.909
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: 7
Temperature: 0.900000
Total energy: -675.706232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.706232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.706232 (E_RNA)
where:
Base-Base interactions energy: -348.235
where: short stacking energy: -229.022
Base-Backbone interact. energy: -1.013
local terms energy: -327.009630
where:
bonds (distance) C4'-P energy: -71.346
bonds (distance) P-C4' energy: -74.303
flat angles C4'-P-C4' energy: -70.976
flat angles P-C4'-P energy: -54.635
tors. eta vs tors. theta energy: -55.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.552 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -641.848542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.848542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.848542 (E_RNA)
where:
Base-Base interactions energy: -352.779
where: short stacking energy: -207.343
Base-Backbone interact. energy: -0.061
local terms energy: -289.008775
where:
bonds (distance) C4'-P energy: -70.177
bonds (distance) P-C4' energy: -71.006
flat angles C4'-P-C4' energy: -58.685
flat angles P-C4'-P energy: -32.903
tors. eta vs tors. theta energy: -56.239
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: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -593.897209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.897209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.897209 (E_RNA)
where:
Base-Base interactions energy: -330.282
where: short stacking energy: -183.918
Base-Backbone interact. energy: 0.722
local terms energy: -264.337723
where:
bonds (distance) C4'-P energy: -51.469
bonds (distance) P-C4' energy: -66.443
flat angles C4'-P-C4' energy: -66.459
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -36.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -423.739654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.739654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.739654 (E_RNA)
where:
Base-Base interactions energy: -187.583
where: short stacking energy: -145.185
Base-Backbone interact. energy: -1.131
local terms energy: -235.025031
where:
bonds (distance) C4'-P energy: -61.085
bonds (distance) P-C4' energy: -70.564
flat angles C4'-P-C4' energy: -59.310
flat angles P-C4'-P energy: -32.452
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -427.745894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.745894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.745894 (E_RNA)
where:
Base-Base interactions energy: -183.663
where: short stacking energy: -135.005
Base-Backbone interact. energy: -0.591
local terms energy: -243.492494
where:
bonds (distance) C4'-P energy: -64.299
bonds (distance) P-C4' energy: -60.639
flat angles C4'-P-C4' energy: -65.591
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -373.247017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.247017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.247017 (E_RNA)
where:
Base-Base interactions energy: -141.899
where: short stacking energy: -116.810
Base-Backbone interact. energy: -1.042
local terms energy: -230.306139
where:
bonds (distance) C4'-P energy: -60.956
bonds (distance) P-C4' energy: -59.845
flat angles C4'-P-C4' energy: -48.415
flat angles P-C4'-P energy: -40.496
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -333.824062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.824062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.824062 (E_RNA)
where:
Base-Base interactions energy: -114.265
where: short stacking energy: -106.787
Base-Backbone interact. energy: -0.892
local terms energy: -218.666881
where:
bonds (distance) C4'-P energy: -47.660
bonds (distance) P-C4' energy: -69.378
flat angles C4'-P-C4' energy: -49.042
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -311.185714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.185714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.185714 (E_RNA)
where:
Base-Base interactions energy: -101.801
where: short stacking energy: -89.269
Base-Backbone interact. energy: 2.639
local terms energy: -212.024016
where:
bonds (distance) C4'-P energy: -54.152
bonds (distance) P-C4' energy: -70.404
flat angles C4'-P-C4' energy: -52.164
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -3.031
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: 7
Temperature: 1.300000
Total energy: -285.636208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.636208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.636208 (E_RNA)
where:
Base-Base interactions energy: -94.575
where: short stacking energy: -92.562
Base-Backbone interact. energy: -1.523
local terms energy: -189.538067
where:
bonds (distance) C4'-P energy: -49.523
bonds (distance) P-C4' energy: -50.638
flat angles C4'-P-C4' energy: -50.906
flat angles P-C4'-P energy: -30.219
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -283.969990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.969990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.969990 (E_RNA)
where:
Base-Base interactions energy: -107.277
where: short stacking energy: -75.111
Base-Backbone interact. energy: 0.014
local terms energy: -176.707735
where:
bonds (distance) C4'-P energy: -46.486
bonds (distance) P-C4' energy: -62.167
flat angles C4'-P-C4' energy: -46.366
flat angles P-C4'-P energy: -26.599
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: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -706.610324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.610324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.610324 (E_RNA)
where:
Base-Base interactions energy: -389.026
where: short stacking energy: -213.694
Base-Backbone interact. energy: -0.464
local terms energy: -317.120917
where:
bonds (distance) C4'-P energy: -72.909
bonds (distance) P-C4' energy: -74.069
flat angles C4'-P-C4' energy: -72.512
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: -63.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -672.742507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.742507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.742507 (E_RNA)
where:
Base-Base interactions energy: -401.461
where: short stacking energy: -188.149
Base-Backbone interact. energy: -1.694
local terms energy: -269.587354
where:
bonds (distance) C4'-P energy: -57.476
bonds (distance) P-C4' energy: -62.614
flat angles C4'-P-C4' energy: -68.834
flat angles P-C4'-P energy: -47.141
tors. eta vs tors. theta energy: -33.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -605.439140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.439140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.439140 (E_RNA)
where:
Base-Base interactions energy: -310.650
where: short stacking energy: -182.039
Base-Backbone interact. energy: -1.229
local terms energy: -293.559911
where:
bonds (distance) C4'-P energy: -66.449
bonds (distance) P-C4' energy: -71.131
flat angles C4'-P-C4' energy: -70.481
flat angles P-C4'-P energy: -43.678
tors. eta vs tors. theta energy: -41.821
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: 8
Temperature: 1.050000
Total energy: -440.157175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.157175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.157175 (E_RNA)
where:
Base-Base interactions energy: -193.448
where: short stacking energy: -149.754
Base-Backbone interact. energy: 1.139
local terms energy: -247.848613
where:
bonds (distance) C4'-P energy: -73.878
bonds (distance) P-C4' energy: -68.115
flat angles C4'-P-C4' energy: -52.993
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: -28.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -494.494765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.494765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.494765 (E_RNA)
where:
Base-Base interactions energy: -241.640
where: short stacking energy: -133.400
Base-Backbone interact. energy: -1.483
local terms energy: -251.371363
where:
bonds (distance) C4'-P energy: -63.752
bonds (distance) P-C4' energy: -62.560
flat angles C4'-P-C4' energy: -62.769
flat angles P-C4'-P energy: -38.049
tors. eta vs tors. theta energy: -24.242
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: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -419.219360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.219360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.219360 (E_RNA)
where:
Base-Base interactions energy: -166.705
where: short stacking energy: -138.051
Base-Backbone interact. energy: -0.812
local terms energy: -251.702119
where:
bonds (distance) C4'-P energy: -64.270
bonds (distance) P-C4' energy: -60.356
flat angles C4'-P-C4' energy: -51.250
flat angles P-C4'-P energy: -40.308
tors. eta vs tors. theta energy: -35.518
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: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -324.502149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.502149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.502149 (E_RNA)
where:
Base-Base interactions energy: -112.747
where: short stacking energy: -103.464
Base-Backbone interact. energy: 0.622
local terms energy: -212.376995
where:
bonds (distance) C4'-P energy: -51.552
bonds (distance) P-C4' energy: -71.970
flat angles C4'-P-C4' energy: -54.824
flat angles P-C4'-P energy: -31.295
tors. eta vs tors. theta energy: -2.736
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: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -326.786854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.786854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.786854 (E_RNA)
where:
Base-Base interactions energy: -106.002
where: short stacking energy: -93.718
Base-Backbone interact. energy: -2.476
local terms energy: -218.309376
where:
bonds (distance) C4'-P energy: -62.212
bonds (distance) P-C4' energy: -71.884
flat angles C4'-P-C4' energy: -60.930
flat angles P-C4'-P energy: -19.530
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: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -277.831504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.831504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.831504 (E_RNA)
where:
Base-Base interactions energy: -91.328
where: short stacking energy: -66.532
Base-Backbone interact. energy: -1.019
local terms energy: -185.484022
where:
bonds (distance) C4'-P energy: -55.756
bonds (distance) P-C4' energy: -63.756
flat angles C4'-P-C4' energy: -36.811
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: 7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -263.484858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.484858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.484858 (E_RNA)
where:
Base-Base interactions energy: -100.821
where: short stacking energy: -61.268
Base-Backbone interact. energy: 2.170
local terms energy: -164.834081
where:
bonds (distance) C4'-P energy: -43.766
bonds (distance) P-C4' energy: -54.798
flat angles C4'-P-C4' energy: -45.726
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: 7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -708.263661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.263661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.263661 (E_RNA)
where:
Base-Base interactions energy: -397.831
where: short stacking energy: -229.791
Base-Backbone interact. energy: -1.072
local terms energy: -309.360752
where:
bonds (distance) C4'-P energy: -68.518
bonds (distance) P-C4' energy: -68.230
flat angles C4'-P-C4' energy: -71.106
flat angles P-C4'-P energy: -48.909
tors. eta vs tors. theta energy: -52.597
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: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -703.320863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.320863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.320863 (E_RNA)
where:
Base-Base interactions energy: -408.611
where: short stacking energy: -202.902
Base-Backbone interact. energy: -0.885
local terms energy: -293.824718
where:
bonds (distance) C4'-P energy: -67.630
bonds (distance) P-C4' energy: -62.564
flat angles C4'-P-C4' energy: -63.959
flat angles P-C4'-P energy: -46.273
tors. eta vs tors. theta energy: -53.399
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: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -654.878886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.878886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.878886 (E_RNA)
where:
Base-Base interactions energy: -398.677
where: short stacking energy: -233.739
Base-Backbone interact. energy: 0.772
local terms energy: -256.974558
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -62.559
flat angles C4'-P-C4' energy: -56.406
flat angles P-C4'-P energy: -41.266
tors. eta vs tors. theta energy: -47.487
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: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -563.701670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.701670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.701670 (E_RNA)
where:
Base-Base interactions energy: -297.828
where: short stacking energy: -178.595
Base-Backbone interact. energy: -1.612
local terms energy: -264.260747
where:
bonds (distance) C4'-P energy: -51.426
bonds (distance) P-C4' energy: -63.329
flat angles C4'-P-C4' energy: -75.556
flat angles P-C4'-P energy: -41.928
tors. eta vs tors. theta energy: -32.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -433.800115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.800115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.800115 (E_RNA)
where:
Base-Base interactions energy: -194.331
where: short stacking energy: -151.516
Base-Backbone interact. energy: -1.248
local terms energy: -238.221689
where:
bonds (distance) C4'-P energy: -68.323
bonds (distance) P-C4' energy: -63.269
flat angles C4'-P-C4' energy: -67.152
flat angles P-C4'-P energy: -22.934
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -385.871945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.871945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.871945 (E_RNA)
where:
Base-Base interactions energy: -157.518
where: short stacking energy: -134.421
Base-Backbone interact. energy: 0.061
local terms energy: -228.414982
where:
bonds (distance) C4'-P energy: -55.974
bonds (distance) P-C4' energy: -60.308
flat angles C4'-P-C4' energy: -56.347
flat angles P-C4'-P energy: -31.950
tors. eta vs tors. theta energy: -23.836
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: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -365.959326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.959326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.959326 (E_RNA)
where:
Base-Base interactions energy: -149.414
where: short stacking energy: -121.314
Base-Backbone interact. energy: 2.520
local terms energy: -219.065454
where:
bonds (distance) C4'-P energy: -64.362
bonds (distance) P-C4' energy: -56.329
flat angles C4'-P-C4' energy: -49.420
flat angles P-C4'-P energy: -30.875
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -301.939577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.939577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.939577 (E_RNA)
where:
Base-Base interactions energy: -110.124
where: short stacking energy: -99.372
Base-Backbone interact. energy: -1.313
local terms energy: -190.502576
where:
bonds (distance) C4'-P energy: -50.267
bonds (distance) P-C4' energy: -63.187
flat angles C4'-P-C4' energy: -54.032
flat angles P-C4'-P energy: -25.546
tors. eta vs tors. theta energy: 2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -289.730118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.730118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.730118 (E_RNA)
where:
Base-Base interactions energy: -113.222
where: short stacking energy: -79.613
Base-Backbone interact. energy: -0.038
local terms energy: -176.470392
where:
bonds (distance) C4'-P energy: -50.351
bonds (distance) P-C4' energy: -51.673
flat angles C4'-P-C4' energy: -54.073
flat angles P-C4'-P energy: -28.692
tors. eta vs tors. theta energy: 8.318
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: 9
Temperature: 1.350000
Total energy: -267.218423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.218423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.218423 (E_RNA)
where:
Base-Base interactions energy: -86.842
where: short stacking energy: -64.528
Base-Backbone interact. energy: -1.784
local terms energy: -178.592220
where:
bonds (distance) C4'-P energy: -52.787
bonds (distance) P-C4' energy: -58.962
flat angles C4'-P-C4' energy: -46.223
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: 8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -749.916872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.916872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.916872 (E_RNA)
where:
Base-Base interactions energy: -430.063
where: short stacking energy: -235.095
Base-Backbone interact. energy: -1.083
local terms energy: -318.926404
where:
bonds (distance) C4'-P energy: -70.961
bonds (distance) P-C4' energy: -74.892
flat angles C4'-P-C4' energy: -70.691
flat angles P-C4'-P energy: -47.192
tors. eta vs tors. theta energy: -55.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.155 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -685.449209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.449209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.449209 (E_RNA)
where:
Base-Base interactions energy: -389.284
where: short stacking energy: -225.801
Base-Backbone interact. energy: -0.310
local terms energy: -295.855098
where:
bonds (distance) C4'-P energy: -62.086
bonds (distance) P-C4' energy: -63.653
flat angles C4'-P-C4' energy: -71.881
flat angles P-C4'-P energy: -40.504
tors. eta vs tors. theta energy: -57.731
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: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -664.335248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.335248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.335248 (E_RNA)
where:
Base-Base interactions energy: -376.549
where: short stacking energy: -202.162
Base-Backbone interact. energy: 0.504
local terms energy: -288.289766
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -67.407
flat angles C4'-P-C4' energy: -62.087
flat angles P-C4'-P energy: -31.522
tors. eta vs tors. theta energy: -60.235
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: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -544.857799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.857799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.857799 (E_RNA)
where:
Base-Base interactions energy: -277.011
where: short stacking energy: -157.066
Base-Backbone interact. energy: -0.813
local terms energy: -267.034298
where:
bonds (distance) C4'-P energy: -62.757
bonds (distance) P-C4' energy: -67.498
flat angles C4'-P-C4' energy: -62.234
flat angles P-C4'-P energy: -42.936
tors. eta vs tors. theta energy: -31.610
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: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -412.315023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.315023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.315023 (E_RNA)
where:
Base-Base interactions energy: -179.837
where: short stacking energy: -131.515
Base-Backbone interact. energy: 0.417
local terms energy: -232.894942
where:
bonds (distance) C4'-P energy: -60.385
bonds (distance) P-C4' energy: -52.091
flat angles C4'-P-C4' energy: -59.820
flat angles P-C4'-P energy: -47.791
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -398.270095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.270095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.270095 (E_RNA)
where:
Base-Base interactions energy: -164.839
where: short stacking energy: -136.459
Base-Backbone interact. energy: -1.238
local terms energy: -232.193362
where:
bonds (distance) C4'-P energy: -52.309
bonds (distance) P-C4' energy: -61.099
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -40.199
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -468.741011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.741011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.741011 (E_RNA)
where:
Base-Base interactions energy: -235.964
where: short stacking energy: -142.071
Base-Backbone interact. energy: 2.059
local terms energy: -234.836414
where:
bonds (distance) C4'-P energy: -50.721
bonds (distance) P-C4' energy: -59.416
flat angles C4'-P-C4' energy: -58.496
flat angles P-C4'-P energy: -34.392
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: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -303.516567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.516567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.516567 (E_RNA)
where:
Base-Base interactions energy: -108.074
where: short stacking energy: -95.480
Base-Backbone interact. energy: 0.413
local terms energy: -195.856416
where:
bonds (distance) C4'-P energy: -54.441
bonds (distance) P-C4' energy: -60.790
flat angles C4'-P-C4' energy: -48.491
flat angles P-C4'-P energy: -38.119
tors. eta vs tors. theta energy: 5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -298.027840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.027840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.027840 (E_RNA)
where:
Base-Base interactions energy: -98.676
where: short stacking energy: -77.884
Base-Backbone interact. energy: 1.250
local terms energy: -200.601360
where:
bonds (distance) C4'-P energy: -57.491
bonds (distance) P-C4' energy: -58.565
flat angles C4'-P-C4' energy: -51.225
flat angles P-C4'-P energy: -35.166
tors. eta vs tors. theta energy: 1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -269.743379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.743379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.743379 (E_RNA)
where:
Base-Base interactions energy: -83.092
where: short stacking energy: -58.140
Base-Backbone interact. energy: 2.988
local terms energy: -189.639466
where:
bonds (distance) C4'-P energy: -55.204
bonds (distance) P-C4' energy: -59.959
flat angles C4'-P-C4' energy: -46.999
flat angles P-C4'-P energy: -30.648
tors. eta vs tors. theta energy: 3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -748.578569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.578569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.578569 (E_RNA)
where:
Base-Base interactions energy: -435.753
where: short stacking energy: -247.430
Base-Backbone interact. energy: -1.235
local terms energy: -311.590223
where:
bonds (distance) C4'-P energy: -75.211
bonds (distance) P-C4' energy: -61.323
flat angles C4'-P-C4' energy: -72.823
flat angles P-C4'-P energy: -36.723
tors. eta vs tors. theta energy: -65.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -734.565650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.565650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.565650 (E_RNA)
where:
Base-Base interactions energy: -437.950
where: short stacking energy: -220.652
Base-Backbone interact. energy: -0.771
local terms energy: -295.844522
where:
bonds (distance) C4'-P energy: -61.457
bonds (distance) P-C4' energy: -68.480
flat angles C4'-P-C4' energy: -64.641
flat angles P-C4'-P energy: -43.286
tors. eta vs tors. theta energy: -57.980
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: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -645.884108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.884108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.884108 (E_RNA)
where:
Base-Base interactions energy: -357.265
where: short stacking energy: -207.183
Base-Backbone interact. energy: -0.850
local terms energy: -287.768931
where:
bonds (distance) C4'-P energy: -66.238
bonds (distance) P-C4' energy: -54.094
flat angles C4'-P-C4' energy: -71.813
flat angles P-C4'-P energy: -46.339
tors. eta vs tors. theta energy: -49.284
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: 11
Temperature: 1.050000
Total energy: -567.038797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.038797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.038797 (E_RNA)
where:
Base-Base interactions energy: -296.528
where: short stacking energy: -176.948
Base-Backbone interact. energy: -1.277
local terms energy: -269.233957
where:
bonds (distance) C4'-P energy: -62.977
bonds (distance) P-C4' energy: -62.466
flat angles C4'-P-C4' energy: -61.621
flat angles P-C4'-P energy: -44.136
tors. eta vs tors. theta energy: -38.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -409.128034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.128034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.128034 (E_RNA)
where:
Base-Base interactions energy: -178.964
where: short stacking energy: -112.549
Base-Backbone interact. energy: 0.124
local terms energy: -230.287877
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -72.235
flat angles C4'-P-C4' energy: -54.927
flat angles P-C4'-P energy: -34.770
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -512.522146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.522146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.522146 (E_RNA)
where:
Base-Base interactions energy: -274.498
where: short stacking energy: -168.996
Base-Backbone interact. energy: 0.751
local terms energy: -238.775264
where:
bonds (distance) C4'-P energy: -52.991
bonds (distance) P-C4' energy: -55.573
flat angles C4'-P-C4' energy: -55.351
flat angles P-C4'-P energy: -42.647
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: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -361.711259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.711259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.711259 (E_RNA)
where:
Base-Base interactions energy: -127.354
where: short stacking energy: -111.648
Base-Backbone interact. energy: -0.661
local terms energy: -233.695829
where:
bonds (distance) C4'-P energy: -56.933
bonds (distance) P-C4' energy: -63.746
flat angles C4'-P-C4' energy: -58.075
flat angles P-C4'-P energy: -40.529
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -318.816629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.816629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.816629 (E_RNA)
where:
Base-Base interactions energy: -123.557
where: short stacking energy: -89.859
Base-Backbone interact. energy: -0.720
local terms energy: -194.539388
where:
bonds (distance) C4'-P energy: -50.240
bonds (distance) P-C4' energy: -66.465
flat angles C4'-P-C4' energy: -56.263
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: 9.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -338.916651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.916651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.916651 (E_RNA)
where:
Base-Base interactions energy: -118.617
where: short stacking energy: -84.254
Base-Backbone interact. energy: -1.182
local terms energy: -219.118525
where:
bonds (distance) C4'-P energy: -53.364
bonds (distance) P-C4' energy: -66.197
flat angles C4'-P-C4' energy: -55.731
flat angles P-C4'-P energy: -44.295
tors. eta vs tors. theta energy: 0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -262.853345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.853345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.853345 (E_RNA)
where:
Base-Base interactions energy: -91.241
where: short stacking energy: -76.876
Base-Backbone interact. energy: -1.053
local terms energy: -170.559629
where:
bonds (distance) C4'-P energy: -46.830
bonds (distance) P-C4' energy: -56.018
flat angles C4'-P-C4' energy: -52.758
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: 2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -776.440017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.440017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.440017 (E_RNA)
where:
Base-Base interactions energy: -450.483
where: short stacking energy: -253.724
Base-Backbone interact. energy: -2.554
local terms energy: -323.403673
where:
bonds (distance) C4'-P energy: -68.383
bonds (distance) P-C4' energy: -61.265
flat angles C4'-P-C4' energy: -77.998
flat angles P-C4'-P energy: -51.611
tors. eta vs tors. theta energy: -64.146
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: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -747.627509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.627509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.627509 (E_RNA)
where:
Base-Base interactions energy: -454.059
where: short stacking energy: -226.448
Base-Backbone interact. energy: -0.445
local terms energy: -293.123744
where:
bonds (distance) C4'-P energy: -62.406
bonds (distance) P-C4' energy: -60.084
flat angles C4'-P-C4' energy: -66.238
flat angles P-C4'-P energy: -41.584
tors. eta vs tors. theta energy: -62.812
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: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -589.775661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.775661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.775661 (E_RNA)
where:
Base-Base interactions energy: -307.972
where: short stacking energy: -176.884
Base-Backbone interact. energy: -1.767
local terms energy: -280.037000
where:
bonds (distance) C4'-P energy: -65.243
bonds (distance) P-C4' energy: -62.322
flat angles C4'-P-C4' energy: -72.294
flat angles P-C4'-P energy: -46.058
tors. eta vs tors. theta energy: -34.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -529.846300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.846300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.846300 (E_RNA)
where:
Base-Base interactions energy: -284.635
where: short stacking energy: -162.850
Base-Backbone interact. energy: -1.567
local terms energy: -243.643414
where:
bonds (distance) C4'-P energy: -55.454
bonds (distance) P-C4' energy: -66.468
flat angles C4'-P-C4' energy: -58.026
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -28.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -527.610397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.610397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.610397 (E_RNA)
where:
Base-Base interactions energy: -289.018
where: short stacking energy: -168.612
Base-Backbone interact. energy: -1.690
local terms energy: -236.901714
where:
bonds (distance) C4'-P energy: -53.832
bonds (distance) P-C4' energy: -66.429
flat angles C4'-P-C4' energy: -54.321
flat angles P-C4'-P energy: -31.108
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: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -420.566211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.566211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.566211 (E_RNA)
where:
Base-Base interactions energy: -192.436
where: short stacking energy: -144.048
Base-Backbone interact. energy: -1.140
local terms energy: -226.990664
where:
bonds (distance) C4'-P energy: -55.325
bonds (distance) P-C4' energy: -58.266
flat angles C4'-P-C4' energy: -57.468
flat angles P-C4'-P energy: -41.508
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -324.427268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.427268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.427268 (E_RNA)
where:
Base-Base interactions energy: -113.292
where: short stacking energy: -75.462
Base-Backbone interact. energy: -3.096
local terms energy: -208.039362
where:
bonds (distance) C4'-P energy: -60.173
bonds (distance) P-C4' energy: -60.751
flat angles C4'-P-C4' energy: -53.779
flat angles P-C4'-P energy: -31.646
tors. eta vs tors. theta energy: -1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -323.849063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.849063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.849063 (E_RNA)
where:
Base-Base interactions energy: -141.046
where: short stacking energy: -117.068
Base-Backbone interact. energy: -0.167
local terms energy: -182.635539
where:
bonds (distance) C4'-P energy: -45.262
bonds (distance) P-C4' energy: -46.982
flat angles C4'-P-C4' energy: -64.636
flat angles P-C4'-P energy: -27.903
tors. eta vs tors. theta energy: 2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -289.313134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.313134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.313134 (E_RNA)
where:
Base-Base interactions energy: -106.840
where: short stacking energy: -81.471
Base-Backbone interact. energy: -0.309
local terms energy: -182.163187
where:
bonds (distance) C4'-P energy: -55.063
bonds (distance) P-C4' energy: -63.516
flat angles C4'-P-C4' energy: -43.139
flat angles P-C4'-P energy: -33.167
tors. eta vs tors. theta energy: 12.722
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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -269.719209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.719209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.719209 (E_RNA)
where:
Base-Base interactions energy: -92.540
where: short stacking energy: -68.719
Base-Backbone interact. energy: 0.662
local terms energy: -177.841665
where:
bonds (distance) C4'-P energy: -48.705
bonds (distance) P-C4' energy: -63.337
flat angles C4'-P-C4' energy: -59.715
flat angles P-C4'-P energy: -18.760
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: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -830.127750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.127750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.127750 (E_RNA)
where:
Base-Base interactions energy: -504.457
where: short stacking energy: -247.870
Base-Backbone interact. energy: -2.146
local terms energy: -323.524747
where:
bonds (distance) C4'-P energy: -62.410
bonds (distance) P-C4' energy: -74.454
flat angles C4'-P-C4' energy: -62.884
flat angles P-C4'-P energy: -54.784
tors. eta vs tors. theta energy: -68.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -725.810898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.810898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.810898 (E_RNA)
where:
Base-Base interactions energy: -435.971
where: short stacking energy: -208.043
Base-Backbone interact. energy: -1.019
local terms energy: -288.820244
where:
bonds (distance) C4'-P energy: -62.733
bonds (distance) P-C4' energy: -63.281
flat angles C4'-P-C4' energy: -72.753
flat angles P-C4'-P energy: -44.016
tors. eta vs tors. theta energy: -46.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -641.274100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.274100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.274100 (E_RNA)
where:
Base-Base interactions energy: -376.827
where: short stacking energy: -190.798
Base-Backbone interact. energy: 0.443
local terms energy: -264.890654
where:
bonds (distance) C4'-P energy: -57.702
bonds (distance) P-C4' energy: -61.222
flat angles C4'-P-C4' energy: -66.779
flat angles P-C4'-P energy: -48.728
tors. eta vs tors. theta energy: -30.458
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: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -542.287840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.287840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.287840 (E_RNA)
where:
Base-Base interactions energy: -286.663
where: short stacking energy: -169.003
Base-Backbone interact. energy: -0.150
local terms energy: -255.474656
where:
bonds (distance) C4'-P energy: -63.372
bonds (distance) P-C4' energy: -69.841
flat angles C4'-P-C4' energy: -56.393
flat angles P-C4'-P energy: -33.166
tors. eta vs tors. theta energy: -32.704
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: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -526.221903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.221903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.221903 (E_RNA)
where:
Base-Base interactions energy: -242.971
where: short stacking energy: -161.883
Base-Backbone interact. energy: -0.973
local terms energy: -282.277971
where:
bonds (distance) C4'-P energy: -63.043
bonds (distance) P-C4' energy: -67.646
flat angles C4'-P-C4' energy: -68.156
flat angles P-C4'-P energy: -50.395
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: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -395.467222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.467222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.467222 (E_RNA)
where:
Base-Base interactions energy: -160.242
where: short stacking energy: -116.789
Base-Backbone interact. energy: -0.267
local terms energy: -234.958527
where:
bonds (distance) C4'-P energy: -63.598
bonds (distance) P-C4' energy: -58.789
flat angles C4'-P-C4' energy: -57.113
flat angles P-C4'-P energy: -42.636
tors. eta vs tors. theta energy: -12.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -351.853602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.853602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.853602 (E_RNA)
where:
Base-Base interactions energy: -124.151
where: short stacking energy: -94.203
Base-Backbone interact. energy: -3.275
local terms energy: -224.427526
where:
bonds (distance) C4'-P energy: -62.457
bonds (distance) P-C4' energy: -66.171
flat angles C4'-P-C4' energy: -59.364
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -299.369301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.369301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.369301 (E_RNA)
where:
Base-Base interactions energy: -111.660
where: short stacking energy: -79.733
Base-Backbone interact. energy: -0.833
local terms energy: -186.876073
where:
bonds (distance) C4'-P energy: -60.724
bonds (distance) P-C4' energy: -52.657
flat angles C4'-P-C4' energy: -55.455
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: 8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -325.603159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.603159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.603159 (E_RNA)
where:
Base-Base interactions energy: -145.381
where: short stacking energy: -96.709
Base-Backbone interact. energy: -0.588
local terms energy: -179.634335
where:
bonds (distance) C4'-P energy: -36.942
bonds (distance) P-C4' energy: -58.180
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -265.707772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.707772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.707772 (E_RNA)
where:
Base-Base interactions energy: -93.171
where: short stacking energy: -59.686
Base-Backbone interact. energy: -0.866
local terms energy: -171.670473
where:
bonds (distance) C4'-P energy: -60.427
bonds (distance) P-C4' energy: -56.986
flat angles C4'-P-C4' energy: -34.717
flat angles P-C4'-P energy: -28.630
tors. eta vs tors. theta energy: 9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -854.618594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.618594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.618594 (E_RNA)
where:
Base-Base interactions energy: -516.093
where: short stacking energy: -266.453
Base-Backbone interact. energy: -0.916
local terms energy: -337.609539
where:
bonds (distance) C4'-P energy: -74.312
bonds (distance) P-C4' energy: -69.554
flat angles C4'-P-C4' energy: -71.878
flat angles P-C4'-P energy: -52.279
tors. eta vs tors. theta energy: -69.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -734.750337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.750337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.750337 (E_RNA)
where:
Base-Base interactions energy: -449.872
where: short stacking energy: -241.527
Base-Backbone interact. energy: -0.611
local terms energy: -284.266809
where:
bonds (distance) C4'-P energy: -65.085
bonds (distance) P-C4' energy: -62.511
flat angles C4'-P-C4' energy: -54.220
flat angles P-C4'-P energy: -40.431
tors. eta vs tors. theta energy: -62.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -621.362268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.362268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.362268 (E_RNA)
where:
Base-Base interactions energy: -336.093
where: short stacking energy: -202.718
Base-Backbone interact. energy: -4.567
local terms energy: -280.702631
where:
bonds (distance) C4'-P energy: -67.345
bonds (distance) P-C4' energy: -63.262
flat angles C4'-P-C4' energy: -65.350
flat angles P-C4'-P energy: -40.566
tors. eta vs tors. theta energy: -44.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -571.128027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.128027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.128027 (E_RNA)
where:
Base-Base interactions energy: -311.890
where: short stacking energy: -179.234
Base-Backbone interact. energy: 3.934
local terms energy: -263.172421
where:
bonds (distance) C4'-P energy: -57.929
bonds (distance) P-C4' energy: -71.102
flat angles C4'-P-C4' energy: -53.411
flat angles P-C4'-P energy: -39.606
tors. eta vs tors. theta energy: -41.125
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: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -513.903157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.903157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.903157 (E_RNA)
where:
Base-Base interactions energy: -279.567
where: short stacking energy: -152.639
Base-Backbone interact. energy: 0.347
local terms energy: -234.682888
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -64.344
flat angles C4'-P-C4' energy: -66.476
flat angles P-C4'-P energy: -26.886
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -450.067670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.067670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.067670 (E_RNA)
where:
Base-Base interactions energy: -220.850
where: short stacking energy: -126.263
Base-Backbone interact. energy: -0.817
local terms energy: -228.401511
where:
bonds (distance) C4'-P energy: -65.044
bonds (distance) P-C4' energy: -61.774
flat angles C4'-P-C4' energy: -52.225
flat angles P-C4'-P energy: -41.977
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -393.144960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.144960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.144960 (E_RNA)
where:
Base-Base interactions energy: -159.284
where: short stacking energy: -108.223
Base-Backbone interact. energy: -1.119
local terms energy: -232.742697
where:
bonds (distance) C4'-P energy: -56.597
bonds (distance) P-C4' energy: -63.540
flat angles C4'-P-C4' energy: -60.544
flat angles P-C4'-P energy: -43.126
tors. eta vs tors. theta energy: -8.936
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: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -312.061017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.061017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.061017 (E_RNA)
where:
Base-Base interactions energy: -118.549
where: short stacking energy: -100.087
Base-Backbone interact. energy: -0.347
local terms energy: -193.164927
where:
bonds (distance) C4'-P energy: -60.349
bonds (distance) P-C4' energy: -52.275
flat angles C4'-P-C4' energy: -55.372
flat angles P-C4'-P energy: -33.261
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: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -294.440146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.440146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.440146 (E_RNA)
where:
Base-Base interactions energy: -97.455
where: short stacking energy: -93.152
Base-Backbone interact. energy: 0.450
local terms energy: -197.435258
where:
bonds (distance) C4'-P energy: -53.686
bonds (distance) P-C4' energy: -61.804
flat angles C4'-P-C4' energy: -33.820
flat angles P-C4'-P energy: -38.409
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: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -263.609981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.609981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.609981 (E_RNA)
where:
Base-Base interactions energy: -109.071
where: short stacking energy: -78.689
Base-Backbone interact. energy: 2.000
local terms energy: -156.538321
where:
bonds (distance) C4'-P energy: -52.755
bonds (distance) P-C4' energy: -43.175
flat angles C4'-P-C4' energy: -53.284
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: 15.807
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: 15
Temperature: 0.900000
Total energy: -844.911801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.911801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.911801 (E_RNA)
where:
Base-Base interactions energy: -517.953
where: short stacking energy: -278.361
Base-Backbone interact. energy: -1.729
local terms energy: -325.229764
where:
bonds (distance) C4'-P energy: -59.931
bonds (distance) P-C4' energy: -71.542
flat angles C4'-P-C4' energy: -68.999
flat angles P-C4'-P energy: -58.420
tors. eta vs tors. theta energy: -66.339
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: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -751.570165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.570165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.570165 (E_RNA)
where:
Base-Base interactions energy: -450.117
where: short stacking energy: -234.035
Base-Backbone interact. energy: -1.040
local terms energy: -300.412601
where:
bonds (distance) C4'-P energy: -63.289
bonds (distance) P-C4' energy: -65.098
flat angles C4'-P-C4' energy: -62.559
flat angles P-C4'-P energy: -53.246
tors. eta vs tors. theta energy: -56.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -589.460602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.460602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.460602 (E_RNA)
where:
Base-Base interactions energy: -306.808
where: short stacking energy: -180.410
Base-Backbone interact. energy: -1.243
local terms energy: -281.409895
where:
bonds (distance) C4'-P energy: -65.907
bonds (distance) P-C4' energy: -59.291
flat angles C4'-P-C4' energy: -61.795
flat angles P-C4'-P energy: -40.030
tors. eta vs tors. theta energy: -54.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -563.077382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.077382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.077382 (E_RNA)
where:
Base-Base interactions energy: -314.303
where: short stacking energy: -178.407
Base-Backbone interact. energy: 0.584
local terms energy: -249.358067
where:
bonds (distance) C4'-P energy: -61.560
bonds (distance) P-C4' energy: -60.607
flat angles C4'-P-C4' energy: -53.208
flat angles P-C4'-P energy: -32.011
tors. eta vs tors. theta energy: -41.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -544.464022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.464022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.464022 (E_RNA)
where:
Base-Base interactions energy: -293.371
where: short stacking energy: -167.062
Base-Backbone interact. energy: -1.532
local terms energy: -249.561411
where:
bonds (distance) C4'-P energy: -65.828
bonds (distance) P-C4' energy: -70.585
flat angles C4'-P-C4' energy: -44.594
flat angles P-C4'-P energy: -37.516
tors. eta vs tors. theta energy: -31.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -528.672666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.672666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.672666 (E_RNA)
where:
Base-Base interactions energy: -278.690
where: short stacking energy: -161.569
Base-Backbone interact. energy: 0.977
local terms energy: -250.960209
where:
bonds (distance) C4'-P energy: -59.311
bonds (distance) P-C4' energy: -64.641
flat angles C4'-P-C4' energy: -60.990
flat angles P-C4'-P energy: -33.542
tors. eta vs tors. theta energy: -32.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -458.313998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.313998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.313998 (E_RNA)
where:
Base-Base interactions energy: -228.823
where: short stacking energy: -130.005
Base-Backbone interact. energy: -0.727
local terms energy: -228.763936
where:
bonds (distance) C4'-P energy: -54.239
bonds (distance) P-C4' energy: -60.401
flat angles C4'-P-C4' energy: -54.495
flat angles P-C4'-P energy: -35.515
tors. eta vs tors. theta energy: -24.113
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: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -299.245989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.245989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.245989 (E_RNA)
where:
Base-Base interactions energy: -112.041
where: short stacking energy: -74.838
Base-Backbone interact. energy: 4.487
local terms energy: -191.691949
where:
bonds (distance) C4'-P energy: -54.892
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -54.689
flat angles P-C4'-P energy: -28.504
tors. eta vs tors. theta energy: 13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -276.689138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.689138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.689138 (E_RNA)
where:
Base-Base interactions energy: -87.918
where: short stacking energy: -64.733
Base-Backbone interact. energy: 0.350
local terms energy: -189.120741
where:
bonds (distance) C4'-P energy: -64.790
bonds (distance) P-C4' energy: -57.053
flat angles C4'-P-C4' energy: -49.133
flat angles P-C4'-P energy: -32.858
tors. eta vs tors. theta energy: 14.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -266.500018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.500018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.500018 (E_RNA)
where:
Base-Base interactions energy: -89.016
where: short stacking energy: -74.344
Base-Backbone interact. energy: -0.288
local terms energy: -177.196107
where:
bonds (distance) C4'-P energy: -53.134
bonds (distance) P-C4' energy: -57.031
flat angles C4'-P-C4' energy: -42.826
flat angles P-C4'-P energy: -28.315
tors. eta vs tors. theta energy: 4.110
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: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -863.130682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.130682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.130682 (E_RNA)
where:
Base-Base interactions energy: -539.131
where: short stacking energy: -268.543
Base-Backbone interact. energy: -0.289
local terms energy: -323.709988
where:
bonds (distance) C4'-P energy: -67.249
bonds (distance) P-C4' energy: -67.887
flat angles C4'-P-C4' energy: -78.256
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: -64.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -749.190824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.190824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.190824 (E_RNA)
where:
Base-Base interactions energy: -445.829
where: short stacking energy: -222.657
Base-Backbone interact. energy: -0.780
local terms energy: -302.581896
where:
bonds (distance) C4'-P energy: -66.642
bonds (distance) P-C4' energy: -68.634
flat angles C4'-P-C4' energy: -72.129
flat angles P-C4'-P energy: -30.308
tors. eta vs tors. theta energy: -64.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -662.628455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.628455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.628455 (E_RNA)
where:
Base-Base interactions energy: -376.303
where: short stacking energy: -190.560
Base-Backbone interact. energy: -2.396
local terms energy: -283.929585
where:
bonds (distance) C4'-P energy: -53.749
bonds (distance) P-C4' energy: -67.303
flat angles C4'-P-C4' energy: -64.101
flat angles P-C4'-P energy: -46.776
tors. eta vs tors. theta energy: -52.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -594.979515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.979515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.979515 (E_RNA)
where:
Base-Base interactions energy: -319.132
where: short stacking energy: -186.602
Base-Backbone interact. energy: -0.577
local terms energy: -275.270920
where:
bonds (distance) C4'-P energy: -69.349
bonds (distance) P-C4' energy: -66.369
flat angles C4'-P-C4' energy: -59.817
flat angles P-C4'-P energy: -33.358
tors. eta vs tors. theta energy: -46.378
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: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -650.142329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.142329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.142329 (E_RNA)
where:
Base-Base interactions energy: -395.798
where: short stacking energy: -178.502
Base-Backbone interact. energy: -0.927
local terms energy: -253.417574
where:
bonds (distance) C4'-P energy: -54.539
bonds (distance) P-C4' energy: -64.394
flat angles C4'-P-C4' energy: -57.238
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -36.159
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: 9
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -512.327175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.327175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.327175 (E_RNA)
where:
Base-Base interactions energy: -255.105
where: short stacking energy: -147.573
Base-Backbone interact. energy: -3.080
local terms energy: -254.142454
where:
bonds (distance) C4'-P energy: -58.056
bonds (distance) P-C4' energy: -65.988
flat angles C4'-P-C4' energy: -79.514
flat angles P-C4'-P energy: -37.107
tors. eta vs tors. theta energy: -13.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -455.096647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.096647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.096647 (E_RNA)
where:
Base-Base interactions energy: -213.788
where: short stacking energy: -129.212
Base-Backbone interact. energy: -1.292
local terms energy: -240.016717
where:
bonds (distance) C4'-P energy: -60.895
bonds (distance) P-C4' energy: -59.513
flat angles C4'-P-C4' energy: -60.162
flat angles P-C4'-P energy: -39.985
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -335.966727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.966727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.966727 (E_RNA)
where:
Base-Base interactions energy: -130.579
where: short stacking energy: -98.008
Base-Backbone interact. energy: -0.136
local terms energy: -205.251763
where:
bonds (distance) C4'-P energy: -51.488
bonds (distance) P-C4' energy: -60.197
flat angles C4'-P-C4' energy: -51.882
flat angles P-C4'-P energy: -33.289
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -302.132181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.132181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.132181 (E_RNA)
where:
Base-Base interactions energy: -111.937
where: short stacking energy: -95.815
Base-Backbone interact. energy: -1.877
local terms energy: -188.318768
where:
bonds (distance) C4'-P energy: -45.616
bonds (distance) P-C4' energy: -59.022
flat angles C4'-P-C4' energy: -52.664
flat angles P-C4'-P energy: -30.576
tors. eta vs tors. theta energy: -0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -274.108338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.108338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.108338 (E_RNA)
where:
Base-Base interactions energy: -92.661
where: short stacking energy: -72.570
Base-Backbone interact. energy: -1.898
local terms energy: -179.549625
where:
bonds (distance) C4'-P energy: -53.568
bonds (distance) P-C4' energy: -60.381
flat angles C4'-P-C4' energy: -41.036
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: 10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -861.359819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.359819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.359819 (E_RNA)
where:
Base-Base interactions energy: -533.329
where: short stacking energy: -245.280
Base-Backbone interact. energy: 3.007
local terms energy: -331.037582
where:
bonds (distance) C4'-P energy: -70.088
bonds (distance) P-C4' energy: -69.834
flat angles C4'-P-C4' energy: -72.533
flat angles P-C4'-P energy: -49.521
tors. eta vs tors. theta energy: -69.061
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: 17
Temperature: 0.950000
Total energy: -732.619611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.619611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.619611 (E_RNA)
where:
Base-Base interactions energy: -440.303
where: short stacking energy: -228.488
Base-Backbone interact. energy: -1.321
local terms energy: -290.995477
where:
bonds (distance) C4'-P energy: -57.080
bonds (distance) P-C4' energy: -63.416
flat angles C4'-P-C4' energy: -79.258
flat angles P-C4'-P energy: -38.704
tors. eta vs tors. theta energy: -52.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -720.601876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.601876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.601876 (E_RNA)
where:
Base-Base interactions energy: -441.663
where: short stacking energy: -205.973
Base-Backbone interact. energy: 0.507
local terms energy: -279.445632
where:
bonds (distance) C4'-P energy: -51.216
bonds (distance) P-C4' energy: -64.079
flat angles C4'-P-C4' energy: -67.336
flat angles P-C4'-P energy: -44.392
tors. eta vs tors. theta energy: -52.424
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: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -694.245836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.245836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.245836 (E_RNA)
where:
Base-Base interactions energy: -387.495
where: short stacking energy: -200.188
Base-Backbone interact. energy: 0.681
local terms energy: -307.432225
where:
bonds (distance) C4'-P energy: -72.957
bonds (distance) P-C4' energy: -69.940
flat angles C4'-P-C4' energy: -61.736
flat angles P-C4'-P energy: -45.445
tors. eta vs tors. theta energy: -57.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -554.327790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.327790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.327790 (E_RNA)
where:
Base-Base interactions energy: -311.637
where: short stacking energy: -159.984
Base-Backbone interact. energy: -1.311
local terms energy: -241.380003
where:
bonds (distance) C4'-P energy: -61.181
bonds (distance) P-C4' energy: -62.704
flat angles C4'-P-C4' energy: -59.407
flat angles P-C4'-P energy: -39.479
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -513.227586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.227586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.227586 (E_RNA)
where:
Base-Base interactions energy: -261.589
where: short stacking energy: -165.216
Base-Backbone interact. energy: -1.047
local terms energy: -250.591286
where:
bonds (distance) C4'-P energy: -60.441
bonds (distance) P-C4' energy: -63.541
flat angles C4'-P-C4' energy: -55.855
flat angles P-C4'-P energy: -37.986
tors. eta vs tors. theta energy: -32.768
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: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -454.717489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.717489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.717489 (E_RNA)
where:
Base-Base interactions energy: -240.258
where: short stacking energy: -134.798
Base-Backbone interact. energy: -2.119
local terms energy: -212.340805
where:
bonds (distance) C4'-P energy: -54.330
bonds (distance) P-C4' energy: -64.192
flat angles C4'-P-C4' energy: -54.263
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -26.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -291.680805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.680805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.680805 (E_RNA)
where:
Base-Base interactions energy: -123.418
where: short stacking energy: -72.394
Base-Backbone interact. energy: -0.537
local terms energy: -168.223260
where:
bonds (distance) C4'-P energy: -46.583
bonds (distance) P-C4' energy: -57.713
flat angles C4'-P-C4' energy: -46.181
flat angles P-C4'-P energy: -23.719
tors. eta vs tors. theta energy: 5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.497 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -284.631064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.631064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.631064 (E_RNA)
where:
Base-Base interactions energy: -99.349
where: short stacking energy: -87.413
Base-Backbone interact. energy: 1.933
local terms energy: -187.214754
where:
bonds (distance) C4'-P energy: -56.137
bonds (distance) P-C4' energy: -61.251
flat angles C4'-P-C4' energy: -49.856
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -276.720545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.720545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.720545 (E_RNA)
where:
Base-Base interactions energy: -90.540
where: short stacking energy: -70.829
Base-Backbone interact. energy: -1.438
local terms energy: -184.743147
where:
bonds (distance) C4'-P energy: -44.897
bonds (distance) P-C4' energy: -61.912
flat angles C4'-P-C4' energy: -51.783
flat angles P-C4'-P energy: -33.292
tors. eta vs tors. theta energy: 7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -892.658486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.658486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.658486 (E_RNA)
where:
Base-Base interactions energy: -539.353
where: short stacking energy: -284.855
Base-Backbone interact. energy: 2.832
local terms energy: -356.137658
where:
bonds (distance) C4'-P energy: -71.533
bonds (distance) P-C4' energy: -65.147
flat angles C4'-P-C4' energy: -79.537
flat angles P-C4'-P energy: -56.109
tors. eta vs tors. theta energy: -83.811
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: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -744.987992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.987992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.987992 (E_RNA)
where:
Base-Base interactions energy: -440.799
where: short stacking energy: -234.021
Base-Backbone interact. energy: 0.966
local terms energy: -305.155334
where:
bonds (distance) C4'-P energy: -69.771
bonds (distance) P-C4' energy: -68.250
flat angles C4'-P-C4' energy: -65.312
flat angles P-C4'-P energy: -43.531
tors. eta vs tors. theta energy: -58.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -780.717648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.717648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.717648 (E_RNA)
where:
Base-Base interactions energy: -491.071
where: short stacking energy: -232.976
Base-Backbone interact. energy: -1.702
local terms energy: -287.945359
where:
bonds (distance) C4'-P energy: -60.734
bonds (distance) P-C4' energy: -60.290
flat angles C4'-P-C4' energy: -64.171
flat angles P-C4'-P energy: -43.370
tors. eta vs tors. theta energy: -59.380
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: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -719.324006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.324006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.324006 (E_RNA)
where:
Base-Base interactions energy: -443.977
where: short stacking energy: -196.244
Base-Backbone interact. energy: -2.472
local terms energy: -272.874911
where:
bonds (distance) C4'-P energy: -66.508
bonds (distance) P-C4' energy: -65.573
flat angles C4'-P-C4' energy: -67.657
flat angles P-C4'-P energy: -27.918
tors. eta vs tors. theta energy: -45.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -565.783188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.783188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.783188 (E_RNA)
where:
Base-Base interactions energy: -291.786
where: short stacking energy: -158.896
Base-Backbone interact. energy: 0.147
local terms energy: -274.144569
where:
bonds (distance) C4'-P energy: -64.674
bonds (distance) P-C4' energy: -73.308
flat angles C4'-P-C4' energy: -59.848
flat angles P-C4'-P energy: -40.407
tors. eta vs tors. theta energy: -35.907
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: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -460.622483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.622483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.622483 (E_RNA)
where:
Base-Base interactions energy: -221.730
where: short stacking energy: -128.533
Base-Backbone interact. energy: -1.777
local terms energy: -237.114950
where:
bonds (distance) C4'-P energy: -54.836
bonds (distance) P-C4' energy: -61.590
flat angles C4'-P-C4' energy: -58.921
flat angles P-C4'-P energy: -46.265
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -478.169779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.169779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.169779 (E_RNA)
where:
Base-Base interactions energy: -233.127
where: short stacking energy: -140.380
Base-Backbone interact. energy: -0.511
local terms energy: -244.531836
where:
bonds (distance) C4'-P energy: -65.812
bonds (distance) P-C4' energy: -65.480
flat angles C4'-P-C4' energy: -52.838
flat angles P-C4'-P energy: -33.197
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: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -359.492972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.492972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.492972 (E_RNA)
where:
Base-Base interactions energy: -140.272
where: short stacking energy: -91.828
Base-Backbone interact. energy: -0.980
local terms energy: -218.240156
where:
bonds (distance) C4'-P energy: -64.783
bonds (distance) P-C4' energy: -64.488
flat angles C4'-P-C4' energy: -58.264
flat angles P-C4'-P energy: -34.865
tors. eta vs tors. theta energy: 4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -303.048064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.048064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.048064 (E_RNA)
where:
Base-Base interactions energy: -101.349
where: short stacking energy: -97.298
Base-Backbone interact. energy: 0.624
local terms energy: -202.323409
where:
bonds (distance) C4'-P energy: -48.982
bonds (distance) P-C4' energy: -47.971
flat angles C4'-P-C4' energy: -56.338
flat angles P-C4'-P energy: -36.693
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -283.034567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.034567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.034567 (E_RNA)
where:
Base-Base interactions energy: -125.819
where: short stacking energy: -85.499
Base-Backbone interact. energy: -0.745
local terms energy: -156.471136
where:
bonds (distance) C4'-P energy: -50.328
bonds (distance) P-C4' energy: -59.837
flat angles C4'-P-C4' energy: -34.875
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: 10.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -881.555085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.555085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.555085 (E_RNA)
where:
Base-Base interactions energy: -563.193
where: short stacking energy: -258.267
Base-Backbone interact. energy: -2.031
local terms energy: -316.331159
where:
bonds (distance) C4'-P energy: -65.178
bonds (distance) P-C4' energy: -71.503
flat angles C4'-P-C4' energy: -69.737
flat angles P-C4'-P energy: -44.544
tors. eta vs tors. theta energy: -65.369
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: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -834.882995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.882995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.882995 (E_RNA)
where:
Base-Base interactions energy: -518.350
where: short stacking energy: -253.214
Base-Backbone interact. energy: -2.471
local terms energy: -314.061799
where:
bonds (distance) C4'-P energy: -76.380
bonds (distance) P-C4' energy: -70.401
flat angles C4'-P-C4' energy: -72.525
flat angles P-C4'-P energy: -34.296
tors. eta vs tors. theta energy: -60.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -708.429987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.429987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.429987 (E_RNA)
where:
Base-Base interactions energy: -438.620
where: short stacking energy: -194.542
Base-Backbone interact. energy: -0.179
local terms energy: -269.630514
where:
bonds (distance) C4'-P energy: -54.443
bonds (distance) P-C4' energy: -56.595
flat angles C4'-P-C4' energy: -64.153
flat angles P-C4'-P energy: -36.996
tors. eta vs tors. theta energy: -57.444
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: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -673.173174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.173174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.173174 (E_RNA)
where:
Base-Base interactions energy: -396.393
where: short stacking energy: -195.161
Base-Backbone interact. energy: -1.262
local terms energy: -275.517897
where:
bonds (distance) C4'-P energy: -61.803
bonds (distance) P-C4' energy: -68.246
flat angles C4'-P-C4' energy: -76.230
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -38.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -591.219466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.219466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.219466 (E_RNA)
where:
Base-Base interactions energy: -342.414
where: short stacking energy: -191.644
Base-Backbone interact. energy: -1.410
local terms energy: -247.396175
where:
bonds (distance) C4'-P energy: -57.714
bonds (distance) P-C4' energy: -68.610
flat angles C4'-P-C4' energy: -54.252
flat angles P-C4'-P energy: -29.087
tors. eta vs tors. theta energy: -37.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -509.513145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.513145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.513145 (E_RNA)
where:
Base-Base interactions energy: -260.291
where: short stacking energy: -146.383
Base-Backbone interact. energy: 0.824
local terms energy: -250.046236
where:
bonds (distance) C4'-P energy: -54.060
bonds (distance) P-C4' energy: -69.054
flat angles C4'-P-C4' energy: -64.278
flat angles P-C4'-P energy: -26.311
tors. eta vs tors. theta energy: -36.342
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: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -411.247210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.247210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.247210 (E_RNA)
where:
Base-Base interactions energy: -195.399
where: short stacking energy: -108.499
Base-Backbone interact. energy: 2.240
local terms energy: -218.087938
where:
bonds (distance) C4'-P energy: -57.840
bonds (distance) P-C4' energy: -67.902
flat angles C4'-P-C4' energy: -60.545
flat angles P-C4'-P energy: -31.735
tors. eta vs tors. theta energy: -0.065
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: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -337.590653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.590653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.590653 (E_RNA)
where:
Base-Base interactions energy: -140.533
where: short stacking energy: -110.150
Base-Backbone interact. energy: -0.969
local terms energy: -196.089241
where:
bonds (distance) C4'-P energy: -53.338
bonds (distance) P-C4' energy: -58.867
flat angles C4'-P-C4' energy: -46.873
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -15.118
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: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -291.352355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.352355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.352355 (E_RNA)
where:
Base-Base interactions energy: -119.956
where: short stacking energy: -87.663
Base-Backbone interact. energy: -1.543
local terms energy: -169.853739
where:
bonds (distance) C4'-P energy: -51.617
bonds (distance) P-C4' energy: -50.482
flat angles C4'-P-C4' energy: -37.557
flat angles P-C4'-P energy: -39.250
tors. eta vs tors. theta energy: 9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -325.091660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.091660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.091660 (E_RNA)
where:
Base-Base interactions energy: -153.686
where: short stacking energy: -104.527
Base-Backbone interact. energy: 0.089
local terms energy: -171.494801
where:
bonds (distance) C4'-P energy: -41.136
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -51.331
flat angles P-C4'-P energy: -24.917
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -894.398244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.398244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.398244 (E_RNA)
where:
Base-Base interactions energy: -547.461
where: short stacking energy: -272.478
Base-Backbone interact. energy: -1.161
local terms energy: -345.776358
where:
bonds (distance) C4'-P energy: -75.013
bonds (distance) P-C4' energy: -76.319
flat angles C4'-P-C4' energy: -72.050
flat angles P-C4'-P energy: -51.518
tors. eta vs tors. theta energy: -70.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -860.479583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.479583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.479583 (E_RNA)
where:
Base-Base interactions energy: -538.913
where: short stacking energy: -245.406
Base-Backbone interact. energy: -1.646
local terms energy: -319.920545
where:
bonds (distance) C4'-P energy: -63.973
bonds (distance) P-C4' energy: -71.573
flat angles C4'-P-C4' energy: -64.483
flat angles P-C4'-P energy: -48.159
tors. eta vs tors. theta energy: -71.732
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: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -730.147300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.147300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.147300 (E_RNA)
where:
Base-Base interactions energy: -442.911
where: short stacking energy: -209.829
Base-Backbone interact. energy: -0.998
local terms energy: -286.237963
where:
bonds (distance) C4'-P energy: -63.198
bonds (distance) P-C4' energy: -64.383
flat angles C4'-P-C4' energy: -67.806
flat angles P-C4'-P energy: -33.771
tors. eta vs tors. theta energy: -57.079
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: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -628.433879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.433879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.433879 (E_RNA)
where:
Base-Base interactions energy: -359.770
where: short stacking energy: -183.941
Base-Backbone interact. energy: 0.978
local terms energy: -269.641104
where:
bonds (distance) C4'-P energy: -64.139
bonds (distance) P-C4' energy: -60.893
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -43.322
tors. eta vs tors. theta energy: -40.672
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: 20
Temperature: 1.100000
Total energy: -588.133446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.133446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.133446 (E_RNA)
where:
Base-Base interactions energy: -317.361
where: short stacking energy: -175.091
Base-Backbone interact. energy: 1.388
local terms energy: -272.161082
where:
bonds (distance) C4'-P energy: -69.015
bonds (distance) P-C4' energy: -71.282
flat angles C4'-P-C4' energy: -50.949
flat angles P-C4'-P energy: -40.974
tors. eta vs tors. theta energy: -39.941
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: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -473.595268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.595268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.595268 (E_RNA)
where:
Base-Base interactions energy: -226.858
where: short stacking energy: -127.570
Base-Backbone interact. energy: 0.188
local terms energy: -246.925430
where:
bonds (distance) C4'-P energy: -52.238
bonds (distance) P-C4' energy: -65.362
flat angles C4'-P-C4' energy: -56.659
flat angles P-C4'-P energy: -52.538
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -341.652042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.652042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.652042 (E_RNA)
where:
Base-Base interactions energy: -145.946
where: short stacking energy: -110.687
Base-Backbone interact. energy: 0.846
local terms energy: -196.551866
where:
bonds (distance) C4'-P energy: -55.887
bonds (distance) P-C4' energy: -63.227
flat angles C4'-P-C4' energy: -48.484
flat angles P-C4'-P energy: -29.521
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: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -331.858019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.858019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.858019 (E_RNA)
where:
Base-Base interactions energy: -129.162
where: short stacking energy: -112.441
Base-Backbone interact. energy: -0.487
local terms energy: -202.208767
where:
bonds (distance) C4'-P energy: -56.344
bonds (distance) P-C4' energy: -64.976
flat angles C4'-P-C4' energy: -53.652
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: 6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -300.664010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.664010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.664010 (E_RNA)
where:
Base-Base interactions energy: -94.191
where: short stacking energy: -74.904
Base-Backbone interact. energy: -1.123
local terms energy: -205.349782
where:
bonds (distance) C4'-P energy: -53.107
bonds (distance) P-C4' energy: -61.739
flat angles C4'-P-C4' energy: -57.427
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -254.056771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.056771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.056771 (E_RNA)
where:
Base-Base interactions energy: -89.898
where: short stacking energy: -70.489
Base-Backbone interact. energy: -0.376
local terms energy: -163.783558
where:
bonds (distance) C4'-P energy: -57.958
bonds (distance) P-C4' energy: -43.922
flat angles C4'-P-C4' energy: -46.095
flat angles P-C4'-P energy: -24.177
tors. eta vs tors. theta energy: 8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -926.700319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.700319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.700319 (E_RNA)
where:
Base-Base interactions energy: -588.311
where: short stacking energy: -292.808
Base-Backbone interact. energy: -1.498
local terms energy: -336.891847
where:
bonds (distance) C4'-P energy: -65.598
bonds (distance) P-C4' energy: -75.949
flat angles C4'-P-C4' energy: -74.032
flat angles P-C4'-P energy: -49.068
tors. eta vs tors. theta energy: -72.245
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: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -846.736177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.736177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.736177 (E_RNA)
where:
Base-Base interactions energy: -542.317
where: short stacking energy: -257.409
Base-Backbone interact. energy: -0.481
local terms energy: -303.937728
where:
bonds (distance) C4'-P energy: -60.892
bonds (distance) P-C4' energy: -61.097
flat angles C4'-P-C4' energy: -70.524
flat angles P-C4'-P energy: -46.099
tors. eta vs tors. theta energy: -65.326
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: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -739.608567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.608567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.608567 (E_RNA)
where:
Base-Base interactions energy: -481.950
where: short stacking energy: -192.153
Base-Backbone interact. energy: -1.885
local terms energy: -255.773848
where:
bonds (distance) C4'-P energy: -64.684
bonds (distance) P-C4' energy: -65.445
flat angles C4'-P-C4' energy: -63.112
flat angles P-C4'-P energy: -26.023
tors. eta vs tors. theta energy: -36.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -601.013660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.013660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.013660 (E_RNA)
where:
Base-Base interactions energy: -327.339
where: short stacking energy: -177.495
Base-Backbone interact. energy: 2.278
local terms energy: -275.952219
where:
bonds (distance) C4'-P energy: -67.119
bonds (distance) P-C4' energy: -64.809
flat angles C4'-P-C4' energy: -64.336
flat angles P-C4'-P energy: -41.970
tors. eta vs tors. theta energy: -37.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -559.853557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.853557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.853557 (E_RNA)
where:
Base-Base interactions energy: -319.258
where: short stacking energy: -157.468
Base-Backbone interact. energy: -1.456
local terms energy: -239.139629
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -62.484
flat angles C4'-P-C4' energy: -61.513
flat angles P-C4'-P energy: -30.895
tors. eta vs tors. theta energy: -30.051
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: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -492.434831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.434831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.434831 (E_RNA)
where:
Base-Base interactions energy: -275.337
where: short stacking energy: -142.060
Base-Backbone interact. energy: 0.823
local terms energy: -217.921092
where:
bonds (distance) C4'-P energy: -64.133
bonds (distance) P-C4' energy: -51.266
flat angles C4'-P-C4' energy: -60.451
flat angles P-C4'-P energy: -27.693
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -337.689289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.689289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.689289 (E_RNA)
where:
Base-Base interactions energy: -125.413
where: short stacking energy: -102.752
Base-Backbone interact. energy: -1.422
local terms energy: -210.854726
where:
bonds (distance) C4'-P energy: -51.391
bonds (distance) P-C4' energy: -59.046
flat angles C4'-P-C4' energy: -59.854
flat angles P-C4'-P energy: -29.820
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -360.902499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.902499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.902499 (E_RNA)
where:
Base-Base interactions energy: -139.606
where: short stacking energy: -94.306
Base-Backbone interact. energy: -1.931
local terms energy: -219.365645
where:
bonds (distance) C4'-P energy: -67.827
bonds (distance) P-C4' energy: -70.034
flat angles C4'-P-C4' energy: -49.242
flat angles P-C4'-P energy: -33.463
tors. eta vs tors. theta energy: 1.200
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: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -309.381940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.381940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.381940 (E_RNA)
where:
Base-Base interactions energy: -122.928
where: short stacking energy: -94.488
Base-Backbone interact. energy: 2.052
local terms energy: -188.506761
where:
bonds (distance) C4'-P energy: -62.791
bonds (distance) P-C4' energy: -58.610
flat angles C4'-P-C4' energy: -46.755
flat angles P-C4'-P energy: -16.464
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: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -267.974091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.974091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.974091 (E_RNA)
where:
Base-Base interactions energy: -97.332
where: short stacking energy: -69.773
Base-Backbone interact. energy: 1.172
local terms energy: -171.814440
where:
bonds (distance) C4'-P energy: -45.565
bonds (distance) P-C4' energy: -60.681
flat angles C4'-P-C4' energy: -52.103
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: 8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -891.709783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.709783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.709783 (E_RNA)
where:
Base-Base interactions energy: -561.925
where: short stacking energy: -264.937
Base-Backbone interact. energy: 0.734
local terms energy: -330.519073
where:
bonds (distance) C4'-P energy: -69.794
bonds (distance) P-C4' energy: -73.526
flat angles C4'-P-C4' energy: -65.946
flat angles P-C4'-P energy: -45.765
tors. eta vs tors. theta energy: -75.489
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: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -886.824578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.824578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.824578 (E_RNA)
where:
Base-Base interactions energy: -564.243
where: short stacking energy: -273.284
Base-Backbone interact. energy: -0.542
local terms energy: -322.039438
where:
bonds (distance) C4'-P energy: -66.864
bonds (distance) P-C4' energy: -70.889
flat angles C4'-P-C4' energy: -59.526
flat angles P-C4'-P energy: -45.740
tors. eta vs tors. theta energy: -79.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -720.195066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.195066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.195066 (E_RNA)
where:
Base-Base interactions energy: -448.437
where: short stacking energy: -209.265
Base-Backbone interact. energy: -1.326
local terms energy: -270.431386
where:
bonds (distance) C4'-P energy: -56.671
bonds (distance) P-C4' energy: -65.074
flat angles C4'-P-C4' energy: -63.588
flat angles P-C4'-P energy: -42.571
tors. eta vs tors. theta energy: -42.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -569.607089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.607089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.607089 (E_RNA)
where:
Base-Base interactions energy: -312.976
where: short stacking energy: -193.650
Base-Backbone interact. energy: -1.302
local terms energy: -255.329019
where:
bonds (distance) C4'-P energy: -55.975
bonds (distance) P-C4' energy: -58.933
flat angles C4'-P-C4' energy: -52.516
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -42.615
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: 22
Temperature: 1.100000
Total energy: -565.689689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.689689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.689689 (E_RNA)
where:
Base-Base interactions energy: -313.812
where: short stacking energy: -179.580
Base-Backbone interact. energy: 0.500
local terms energy: -252.377402
where:
bonds (distance) C4'-P energy: -53.629
bonds (distance) P-C4' energy: -64.906
flat angles C4'-P-C4' energy: -66.610
flat angles P-C4'-P energy: -36.603
tors. eta vs tors. theta energy: -30.629
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: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -488.429742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.429742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.429742 (E_RNA)
where:
Base-Base interactions energy: -263.269
where: short stacking energy: -156.623
Base-Backbone interact. energy: -1.200
local terms energy: -223.960637
where:
bonds (distance) C4'-P energy: -53.120
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -50.053
flat angles P-C4'-P energy: -39.673
tors. eta vs tors. theta energy: -28.382
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: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -349.121123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.121123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.121123 (E_RNA)
where:
Base-Base interactions energy: -145.943
where: short stacking energy: -95.717
Base-Backbone interact. energy: -1.725
local terms energy: -201.452843
where:
bonds (distance) C4'-P energy: -59.382
bonds (distance) P-C4' energy: -58.515
flat angles C4'-P-C4' energy: -54.258
flat angles P-C4'-P energy: -31.245
tors. eta vs tors. theta energy: 1.946
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: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -359.627808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.627808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.627808 (E_RNA)
where:
Base-Base interactions energy: -152.807
where: short stacking energy: -104.973
Base-Backbone interact. energy: 6.099
local terms energy: -212.920047
where:
bonds (distance) C4'-P energy: -61.784
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -48.437
flat angles P-C4'-P energy: -30.293
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -315.571919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.571919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.571919 (E_RNA)
where:
Base-Base interactions energy: -113.692
where: short stacking energy: -88.370
Base-Backbone interact. energy: -2.425
local terms energy: -199.454931
where:
bonds (distance) C4'-P energy: -57.282
bonds (distance) P-C4' energy: -60.167
flat angles C4'-P-C4' energy: -50.260
flat angles P-C4'-P energy: -28.978
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -281.106053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.106053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.106053 (E_RNA)
where:
Base-Base interactions energy: -128.294
where: short stacking energy: -92.290
Base-Backbone interact. energy: 2.864
local terms energy: -155.676259
where:
bonds (distance) C4'-P energy: -33.404
bonds (distance) P-C4' energy: -61.666
flat angles C4'-P-C4' energy: -52.396
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: 7.838
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: 23
Temperature: 0.900000
Total energy: -857.026044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.026044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.026044 (E_RNA)
where:
Base-Base interactions energy: -536.332
where: short stacking energy: -242.714
Base-Backbone interact. energy: 1.683
local terms energy: -322.377424
where:
bonds (distance) C4'-P energy: -71.001
bonds (distance) P-C4' energy: -67.992
flat angles C4'-P-C4' energy: -68.494
flat angles P-C4'-P energy: -46.954
tors. eta vs tors. theta energy: -67.936
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: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -873.621518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.621518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.621518 (E_RNA)
where:
Base-Base interactions energy: -555.170
where: short stacking energy: -259.483
Base-Backbone interact. energy: -1.122
local terms energy: -317.329758
where:
bonds (distance) C4'-P energy: -64.967
bonds (distance) P-C4' energy: -66.918
flat angles C4'-P-C4' energy: -64.849
flat angles P-C4'-P energy: -53.132
tors. eta vs tors. theta energy: -67.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -758.031191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.031191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.031191 (E_RNA)
where:
Base-Base interactions energy: -469.361
where: short stacking energy: -216.902
Base-Backbone interact. energy: 1.964
local terms energy: -290.633437
where:
bonds (distance) C4'-P energy: -60.061
bonds (distance) P-C4' energy: -65.630
flat angles C4'-P-C4' energy: -74.921
flat angles P-C4'-P energy: -42.771
tors. eta vs tors. theta energy: -47.251
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: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -672.322351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.322351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.322351 (E_RNA)
where:
Base-Base interactions energy: -408.032
where: short stacking energy: -216.107
Base-Backbone interact. energy: 0.302
local terms energy: -264.593192
where:
bonds (distance) C4'-P energy: -58.555
bonds (distance) P-C4' energy: -66.694
flat angles C4'-P-C4' energy: -62.537
flat angles P-C4'-P energy: -36.314
tors. eta vs tors. theta energy: -40.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -544.682998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.682998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.682998 (E_RNA)
where:
Base-Base interactions energy: -307.174
where: short stacking energy: -177.966
Base-Backbone interact. energy: -1.937
local terms energy: -235.571406
where:
bonds (distance) C4'-P energy: -48.527
bonds (distance) P-C4' energy: -56.990
flat angles C4'-P-C4' energy: -61.594
flat angles P-C4'-P energy: -29.574
tors. eta vs tors. theta energy: -38.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -475.527037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.527037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.527037 (E_RNA)
where:
Base-Base interactions energy: -238.056
where: short stacking energy: -129.937
Base-Backbone interact. energy: -1.432
local terms energy: -236.038727
where:
bonds (distance) C4'-P energy: -62.480
bonds (distance) P-C4' energy: -67.614
flat angles C4'-P-C4' energy: -56.288
flat angles P-C4'-P energy: -29.804
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -328.548554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.548554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.548554 (E_RNA)
where:
Base-Base interactions energy: -121.149
where: short stacking energy: -109.446
Base-Backbone interact. energy: -0.025
local terms energy: -207.374069
where:
bonds (distance) C4'-P energy: -57.041
bonds (distance) P-C4' energy: -52.971
flat angles C4'-P-C4' energy: -57.585
flat angles P-C4'-P energy: -35.276
tors. eta vs tors. theta energy: -4.501
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: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -393.291678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.291678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.291678 (E_RNA)
where:
Base-Base interactions energy: -188.671
where: short stacking energy: -129.145
Base-Backbone interact. energy: -1.883
local terms energy: -202.738306
where:
bonds (distance) C4'-P energy: -47.237
bonds (distance) P-C4' energy: -54.494
flat angles C4'-P-C4' energy: -55.116
flat angles P-C4'-P energy: -34.800
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -329.143442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.143442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.143442 (E_RNA)
where:
Base-Base interactions energy: -122.252
where: short stacking energy: -89.529
Base-Backbone interact. energy: 0.284
local terms energy: -207.174656
where:
bonds (distance) C4'-P energy: -59.125
bonds (distance) P-C4' energy: -70.694
flat angles C4'-P-C4' energy: -53.756
flat angles P-C4'-P energy: -26.195
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: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -268.681437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.681437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.681437 (E_RNA)
where:
Base-Base interactions energy: -100.711
where: short stacking energy: -62.423
Base-Backbone interact. energy: -0.844
local terms energy: -167.126574
where:
bonds (distance) C4'-P energy: -44.657
bonds (distance) P-C4' energy: -48.051
flat angles C4'-P-C4' energy: -58.817
flat angles P-C4'-P energy: -27.584
tors. eta vs tors. theta energy: 11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -889.091132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.091132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.091132 (E_RNA)
where:
Base-Base interactions energy: -563.217
where: short stacking energy: -261.477
Base-Backbone interact. energy: -0.725
local terms energy: -325.149473
where:
bonds (distance) C4'-P energy: -62.760
bonds (distance) P-C4' energy: -75.218
flat angles C4'-P-C4' energy: -72.172
flat angles P-C4'-P energy: -40.492
tors. eta vs tors. theta energy: -74.508
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: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -842.322317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.322317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.322317 (E_RNA)
where:
Base-Base interactions energy: -531.682
where: short stacking energy: -245.249
Base-Backbone interact. energy: -0.900
local terms energy: -309.740728
where:
bonds (distance) C4'-P energy: -73.589
bonds (distance) P-C4' energy: -73.237
flat angles C4'-P-C4' energy: -66.652
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -55.586
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: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -740.071722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.071722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.071722 (E_RNA)
where:
Base-Base interactions energy: -466.116
where: short stacking energy: -209.110
Base-Backbone interact. energy: -0.570
local terms energy: -273.385146
where:
bonds (distance) C4'-P energy: -63.055
bonds (distance) P-C4' energy: -69.140
flat angles C4'-P-C4' energy: -62.924
flat angles P-C4'-P energy: -40.502
tors. eta vs tors. theta energy: -37.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -686.650286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.650286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.650286 (E_RNA)
where:
Base-Base interactions energy: -402.618
where: short stacking energy: -227.390
Base-Backbone interact. energy: 0.864
local terms energy: -284.896237
where:
bonds (distance) C4'-P energy: -57.097
bonds (distance) P-C4' energy: -68.060
flat angles C4'-P-C4' energy: -72.504
flat angles P-C4'-P energy: -42.635
tors. eta vs tors. theta energy: -44.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -570.413739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.413739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.413739 (E_RNA)
where:
Base-Base interactions energy: -322.520
where: short stacking energy: -186.684
Base-Backbone interact. energy: -1.523
local terms energy: -246.370598
where:
bonds (distance) C4'-P energy: -49.954
bonds (distance) P-C4' energy: -55.342
flat angles C4'-P-C4' energy: -62.932
flat angles P-C4'-P energy: -31.641
tors. eta vs tors. theta energy: -46.501
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: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -462.625347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.625347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.625347 (E_RNA)
where:
Base-Base interactions energy: -227.564
where: short stacking energy: -153.363
Base-Backbone interact. energy: 1.803
local terms energy: -236.864370
where:
bonds (distance) C4'-P energy: -59.454
bonds (distance) P-C4' energy: -54.670
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -35.080
tors. eta vs tors. theta energy: -21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -406.196242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.196242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.196242 (E_RNA)
where:
Base-Base interactions energy: -195.256
where: short stacking energy: -104.884
Base-Backbone interact. energy: 1.276
local terms energy: -212.216525
where:
bonds (distance) C4'-P energy: -62.241
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -62.786
flat angles P-C4'-P energy: -27.250
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: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -305.959182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.959182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.959182 (E_RNA)
where:
Base-Base interactions energy: -108.704
where: short stacking energy: -76.820
Base-Backbone interact. energy: -1.261
local terms energy: -195.994469
where:
bonds (distance) C4'-P energy: -60.375
bonds (distance) P-C4' energy: -66.459
flat angles C4'-P-C4' energy: -54.088
flat angles P-C4'-P energy: -27.717
tors. eta vs tors. theta energy: 12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -273.232389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.232389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.232389 (E_RNA)
where:
Base-Base interactions energy: -76.114
where: short stacking energy: -62.113
Base-Backbone interact. energy: 0.172
local terms energy: -197.289721
where:
bonds (distance) C4'-P energy: -62.677
bonds (distance) P-C4' energy: -57.155
flat angles C4'-P-C4' energy: -51.765
flat angles P-C4'-P energy: -36.842
tors. eta vs tors. theta energy: 11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -283.262047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.262047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.262047 (E_RNA)
where:
Base-Base interactions energy: -114.531
where: short stacking energy: -64.686
Base-Backbone interact. energy: -1.177
local terms energy: -167.554041
where:
bonds (distance) C4'-P energy: -33.910
bonds (distance) P-C4' energy: -65.728
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: 7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -910.505999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.505999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.505999 (E_RNA)
where:
Base-Base interactions energy: -586.990
where: short stacking energy: -283.164
Base-Backbone interact. energy: -0.445
local terms energy: -323.071446
where:
bonds (distance) C4'-P energy: -55.126
bonds (distance) P-C4' energy: -73.431
flat angles C4'-P-C4' energy: -71.407
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -78.930
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: 25
Temperature: 0.950000
Total energy: -773.931361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.931361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.931361 (E_RNA)
where:
Base-Base interactions energy: -484.141
where: short stacking energy: -208.695
Base-Backbone interact. energy: -0.851
local terms energy: -288.939583
where:
bonds (distance) C4'-P energy: -66.536
bonds (distance) P-C4' energy: -66.175
flat angles C4'-P-C4' energy: -65.202
flat angles P-C4'-P energy: -37.103
tors. eta vs tors. theta energy: -53.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -828.513323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.513323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.513323 (E_RNA)
where:
Base-Base interactions energy: -524.330
where: short stacking energy: -240.585
Base-Backbone interact. energy: -1.006
local terms energy: -303.177407
where:
bonds (distance) C4'-P energy: -63.223
bonds (distance) P-C4' energy: -68.010
flat angles C4'-P-C4' energy: -66.309
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -61.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -710.859965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.859965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.859965 (E_RNA)
where:
Base-Base interactions energy: -421.539
where: short stacking energy: -214.302
Base-Backbone interact. energy: -0.855
local terms energy: -288.465910
where:
bonds (distance) C4'-P energy: -63.315
bonds (distance) P-C4' energy: -63.415
flat angles C4'-P-C4' energy: -65.494
flat angles P-C4'-P energy: -42.604
tors. eta vs tors. theta energy: -53.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -560.167102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.167102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.167102 (E_RNA)
where:
Base-Base interactions energy: -317.050
where: short stacking energy: -173.317
Base-Backbone interact. energy: 0.049
local terms energy: -243.165696
where:
bonds (distance) C4'-P energy: -56.101
bonds (distance) P-C4' energy: -73.410
flat angles C4'-P-C4' energy: -55.492
flat angles P-C4'-P energy: -25.850
tors. eta vs tors. theta energy: -32.313
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: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -445.159524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.159524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.159524 (E_RNA)
where:
Base-Base interactions energy: -216.356
where: short stacking energy: -119.233
Base-Backbone interact. energy: 1.544
local terms energy: -230.347829
where:
bonds (distance) C4'-P energy: -59.205
bonds (distance) P-C4' energy: -61.376
flat angles C4'-P-C4' energy: -54.411
flat angles P-C4'-P energy: -41.165
tors. eta vs tors. theta energy: -14.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -451.377199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.377199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.377199 (E_RNA)
where:
Base-Base interactions energy: -237.158
where: short stacking energy: -149.183
Base-Backbone interact. energy: 1.663
local terms energy: -215.882669
where:
bonds (distance) C4'-P energy: -52.294
bonds (distance) P-C4' energy: -62.640
flat angles C4'-P-C4' energy: -59.298
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -312.990110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.990110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.990110 (E_RNA)
where:
Base-Base interactions energy: -130.174
where: short stacking energy: -85.231
Base-Backbone interact. energy: 0.965
local terms energy: -183.780514
where:
bonds (distance) C4'-P energy: -48.658
bonds (distance) P-C4' energy: -60.958
flat angles C4'-P-C4' energy: -44.982
flat angles P-C4'-P energy: -32.998
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: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -285.956352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.956352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.956352 (E_RNA)
where:
Base-Base interactions energy: -88.858
where: short stacking energy: -65.941
Base-Backbone interact. energy: -2.202
local terms energy: -194.895867
where:
bonds (distance) C4'-P energy: -41.184
bonds (distance) P-C4' energy: -66.575
flat angles C4'-P-C4' energy: -53.543
flat angles P-C4'-P energy: -40.716
tors. eta vs tors. theta energy: 7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -273.618572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.618572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.618572 (E_RNA)
where:
Base-Base interactions energy: -93.404
where: short stacking energy: -67.883
Base-Backbone interact. energy: -1.056
local terms energy: -179.158857
where:
bonds (distance) C4'-P energy: -53.607
bonds (distance) P-C4' energy: -44.081
flat angles C4'-P-C4' energy: -43.996
flat angles P-C4'-P energy: -36.049
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -908.449190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.449190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.449190 (E_RNA)
where:
Base-Base interactions energy: -569.273
where: short stacking energy: -272.698
Base-Backbone interact. energy: -0.537
local terms energy: -338.638656
where:
bonds (distance) C4'-P energy: -69.488
bonds (distance) P-C4' energy: -77.047
flat angles C4'-P-C4' energy: -69.666
flat angles P-C4'-P energy: -44.963
tors. eta vs tors. theta energy: -77.474
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: 26
Temperature: 0.950000
Total energy: -729.576596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.576596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.576596 (E_RNA)
where:
Base-Base interactions energy: -448.578
where: short stacking energy: -188.670
Base-Backbone interact. energy: -2.744
local terms energy: -278.253969
where:
bonds (distance) C4'-P energy: -65.402
bonds (distance) P-C4' energy: -67.069
flat angles C4'-P-C4' energy: -63.325
flat angles P-C4'-P energy: -40.003
tors. eta vs tors. theta energy: -42.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -789.420193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.420193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.420193 (E_RNA)
where:
Base-Base interactions energy: -504.926
where: short stacking energy: -226.777
Base-Backbone interact. energy: -0.825
local terms energy: -283.668828
where:
bonds (distance) C4'-P energy: -62.135
bonds (distance) P-C4' energy: -58.704
flat angles C4'-P-C4' energy: -62.145
flat angles P-C4'-P energy: -37.563
tors. eta vs tors. theta energy: -63.122
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: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -689.341537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.341537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.341537 (E_RNA)
where:
Base-Base interactions energy: -413.574
where: short stacking energy: -207.423
Base-Backbone interact. energy: -1.272
local terms energy: -274.495680
where:
bonds (distance) C4'-P energy: -62.478
bonds (distance) P-C4' energy: -63.852
flat angles C4'-P-C4' energy: -66.221
flat angles P-C4'-P energy: -34.634
tors. eta vs tors. theta energy: -47.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -552.274064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.274064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.274064 (E_RNA)
where:
Base-Base interactions energy: -286.324
where: short stacking energy: -157.166
Base-Backbone interact. energy: 0.971
local terms energy: -266.920427
where:
bonds (distance) C4'-P energy: -69.312
bonds (distance) P-C4' energy: -72.907
flat angles C4'-P-C4' energy: -49.742
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -31.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -470.249942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.249942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.249942 (E_RNA)
where:
Base-Base interactions energy: -241.408
where: short stacking energy: -125.897
Base-Backbone interact. energy: 0.122
local terms energy: -228.963930
where:
bonds (distance) C4'-P energy: -59.474
bonds (distance) P-C4' energy: -69.525
flat angles C4'-P-C4' energy: -65.868
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -11.921
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: 26
Temperature: 1.200000
Total energy: -447.763435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.763435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.763435 (E_RNA)
where:
Base-Base interactions energy: -224.416
where: short stacking energy: -122.516
Base-Backbone interact. energy: -1.166
local terms energy: -222.181136
where:
bonds (distance) C4'-P energy: -55.036
bonds (distance) P-C4' energy: -65.522
flat angles C4'-P-C4' energy: -52.214
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -304.675285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.675285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.675285 (E_RNA)
where:
Base-Base interactions energy: -116.219
where: short stacking energy: -96.367
Base-Backbone interact. energy: -2.112
local terms energy: -186.345151
where:
bonds (distance) C4'-P energy: -48.085
bonds (distance) P-C4' energy: -65.279
flat angles C4'-P-C4' energy: -33.787
flat angles P-C4'-P energy: -34.001
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -327.238407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.238407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.238407 (E_RNA)
where:
Base-Base interactions energy: -143.062
where: short stacking energy: -98.654
Base-Backbone interact. energy: -1.472
local terms energy: -182.703698
where:
bonds (distance) C4'-P energy: -52.786
bonds (distance) P-C4' energy: -63.127
flat angles C4'-P-C4' energy: -39.798
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: 1.569
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: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -273.401258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.401258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.401258 (E_RNA)
where:
Base-Base interactions energy: -100.546
where: short stacking energy: -89.617
Base-Backbone interact. energy: 3.491
local terms energy: -176.347121
where:
bonds (distance) C4'-P energy: -44.982
bonds (distance) P-C4' energy: -64.878
flat angles C4'-P-C4' energy: -50.215
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: 13.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -942.213428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.213428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.213428 (E_RNA)
where:
Base-Base interactions energy: -595.136
where: short stacking energy: -275.862
Base-Backbone interact. energy: -0.679
local terms energy: -346.397893
where:
bonds (distance) C4'-P energy: -69.792
bonds (distance) P-C4' energy: -78.382
flat angles C4'-P-C4' energy: -66.120
flat angles P-C4'-P energy: -44.599
tors. eta vs tors. theta energy: -87.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -754.758920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.758920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.758920 (E_RNA)
where:
Base-Base interactions energy: -472.111
where: short stacking energy: -202.797
Base-Backbone interact. energy: 1.659
local terms energy: -284.307002
where:
bonds (distance) C4'-P energy: -67.231
bonds (distance) P-C4' energy: -72.630
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -35.527
tors. eta vs tors. theta energy: -45.642
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: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -797.495472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.495472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.495472 (E_RNA)
where:
Base-Base interactions energy: -501.766
where: short stacking energy: -213.233
Base-Backbone interact. energy: -0.630
local terms energy: -295.099319
where:
bonds (distance) C4'-P energy: -62.514
bonds (distance) P-C4' energy: -64.211
flat angles C4'-P-C4' energy: -63.045
flat angles P-C4'-P energy: -43.773
tors. eta vs tors. theta energy: -61.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -713.574972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.574972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.574972 (E_RNA)
where:
Base-Base interactions energy: -415.139
where: short stacking energy: -201.862
Base-Backbone interact. energy: -2.726
local terms energy: -295.709454
where:
bonds (distance) C4'-P energy: -63.084
bonds (distance) P-C4' energy: -66.271
flat angles C4'-P-C4' energy: -67.276
flat angles P-C4'-P energy: -48.485
tors. eta vs tors. theta energy: -50.593
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: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -546.045496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.045496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.045496 (E_RNA)
where:
Base-Base interactions energy: -301.652
where: short stacking energy: -187.954
Base-Backbone interact. energy: 1.666
local terms energy: -246.059953
where:
bonds (distance) C4'-P energy: -58.084
bonds (distance) P-C4' energy: -66.616
flat angles C4'-P-C4' energy: -55.175
flat angles P-C4'-P energy: -36.805
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: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -472.466832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.466832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.466832 (E_RNA)
where:
Base-Base interactions energy: -239.751
where: short stacking energy: -150.505
Base-Backbone interact. energy: -1.383
local terms energy: -231.333307
where:
bonds (distance) C4'-P energy: -57.752
bonds (distance) P-C4' energy: -65.908
flat angles C4'-P-C4' energy: -47.850
flat angles P-C4'-P energy: -39.749
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -432.951074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.951074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.951074 (E_RNA)
where:
Base-Base interactions energy: -222.029
where: short stacking energy: -111.865
Base-Backbone interact. energy: -0.725
local terms energy: -210.196348
where:
bonds (distance) C4'-P energy: -54.832
bonds (distance) P-C4' energy: -69.072
flat angles C4'-P-C4' energy: -47.978
flat angles P-C4'-P energy: -30.209
tors. eta vs tors. theta energy: -8.105
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: 27
Temperature: 1.250000
Total energy: -311.726842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.726842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.726842 (E_RNA)
where:
Base-Base interactions energy: -117.899
where: short stacking energy: -80.673
Base-Backbone interact. energy: 5.901
local terms energy: -199.728550
where:
bonds (distance) C4'-P energy: -55.747
bonds (distance) P-C4' energy: -58.448
flat angles C4'-P-C4' energy: -43.527
flat angles P-C4'-P energy: -45.877
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: 27
Temperature: 1.300000
Total energy: -302.463243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.463243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.463243 (E_RNA)
where:
Base-Base interactions energy: -117.148
where: short stacking energy: -79.956
Base-Backbone interact. energy: 0.441
local terms energy: -185.755809
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -54.572
flat angles C4'-P-C4' energy: -47.849
flat angles P-C4'-P energy: -29.974
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -298.972892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.972892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.972892 (E_RNA)
where:
Base-Base interactions energy: -95.781
where: short stacking energy: -75.922
Base-Backbone interact. energy: 0.595
local terms energy: -203.786522
where:
bonds (distance) C4'-P energy: -58.976
bonds (distance) P-C4' energy: -60.257
flat angles C4'-P-C4' energy: -51.168
flat angles P-C4'-P energy: -32.937
tors. eta vs tors. theta energy: -0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -947.936379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.936379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.936379 (E_RNA)
where:
Base-Base interactions energy: -591.184
where: short stacking energy: -280.789
Base-Backbone interact. energy: -1.093
local terms energy: -355.658976
where:
bonds (distance) C4'-P energy: -64.273
bonds (distance) P-C4' energy: -71.419
flat angles C4'-P-C4' energy: -80.798
flat angles P-C4'-P energy: -46.522
tors. eta vs tors. theta energy: -92.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -762.904565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.904565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.904565 (E_RNA)
where:
Base-Base interactions energy: -475.058
where: short stacking energy: -215.977
Base-Backbone interact. energy: -3.104
local terms energy: -284.743210
where:
bonds (distance) C4'-P energy: -61.543
bonds (distance) P-C4' energy: -68.162
flat angles C4'-P-C4' energy: -66.248
flat angles P-C4'-P energy: -42.221
tors. eta vs tors. theta energy: -46.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -811.904623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.904623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.904623 (E_RNA)
where:
Base-Base interactions energy: -515.815
where: short stacking energy: -218.963
Base-Backbone interact. energy: -1.994
local terms energy: -294.095763
where:
bonds (distance) C4'-P energy: -59.575
bonds (distance) P-C4' energy: -71.638
flat angles C4'-P-C4' energy: -58.294
flat angles P-C4'-P energy: -50.467
tors. eta vs tors. theta energy: -54.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -727.349568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.349568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.349568 (E_RNA)
where:
Base-Base interactions energy: -454.917
where: short stacking energy: -208.252
Base-Backbone interact. energy: -1.629
local terms energy: -270.802728
where:
bonds (distance) C4'-P energy: -69.663
bonds (distance) P-C4' energy: -69.461
flat angles C4'-P-C4' energy: -56.359
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -58.749
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: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -538.998672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.998672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.998672 (E_RNA)
where:
Base-Base interactions energy: -294.378
where: short stacking energy: -185.311
Base-Backbone interact. energy: 1.026
local terms energy: -245.646360
where:
bonds (distance) C4'-P energy: -60.189
bonds (distance) P-C4' energy: -68.345
flat angles C4'-P-C4' energy: -52.037
flat angles P-C4'-P energy: -31.294
tors. eta vs tors. theta energy: -33.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -522.908132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.908132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.908132 (E_RNA)
where:
Base-Base interactions energy: -267.589
where: short stacking energy: -141.819
Base-Backbone interact. energy: -0.878
local terms energy: -254.440899
where:
bonds (distance) C4'-P energy: -60.548
bonds (distance) P-C4' energy: -71.748
flat angles C4'-P-C4' energy: -62.435
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -477.967714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.967714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.967714 (E_RNA)
where:
Base-Base interactions energy: -255.417
where: short stacking energy: -145.702
Base-Backbone interact. energy: -0.525
local terms energy: -222.025533
where:
bonds (distance) C4'-P energy: -56.212
bonds (distance) P-C4' energy: -53.613
flat angles C4'-P-C4' energy: -53.957
flat angles P-C4'-P energy: -34.480
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: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -308.878584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.878584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.878584 (E_RNA)
where:
Base-Base interactions energy: -106.626
where: short stacking energy: -88.363
Base-Backbone interact. energy: -1.240
local terms energy: -201.011650
where:
bonds (distance) C4'-P energy: -52.334
bonds (distance) P-C4' energy: -60.838
flat angles C4'-P-C4' energy: -46.226
flat angles P-C4'-P energy: -31.379
tors. eta vs tors. theta energy: -10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -295.899001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.899001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.899001 (E_RNA)
where:
Base-Base interactions energy: -102.627
where: short stacking energy: -95.351
Base-Backbone interact. energy: -2.086
local terms energy: -191.185707
where:
bonds (distance) C4'-P energy: -62.564
bonds (distance) P-C4' energy: -61.332
flat angles C4'-P-C4' energy: -37.690
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -268.828079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.828079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.828079 (E_RNA)
where:
Base-Base interactions energy: -87.748
where: short stacking energy: -63.611
Base-Backbone interact. energy: -1.836
local terms energy: -179.244704
where:
bonds (distance) C4'-P energy: -55.856
bonds (distance) P-C4' energy: -56.586
flat angles C4'-P-C4' energy: -48.201
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: 16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -960.275933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.275933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.275933 (E_RNA)
where:
Base-Base interactions energy: -621.764
where: short stacking energy: -303.273
Base-Backbone interact. energy: -0.347
local terms energy: -338.164965
where:
bonds (distance) C4'-P energy: -70.491
bonds (distance) P-C4' energy: -63.275
flat angles C4'-P-C4' energy: -65.561
flat angles P-C4'-P energy: -45.333
tors. eta vs tors. theta energy: -93.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -843.799946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.799946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.799946 (E_RNA)
where:
Base-Base interactions energy: -558.578
where: short stacking energy: -240.067
Base-Backbone interact. energy: -0.367
local terms energy: -284.855149
where:
bonds (distance) C4'-P energy: -62.957
bonds (distance) P-C4' energy: -62.225
flat angles C4'-P-C4' energy: -69.341
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -50.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -731.724177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.724177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.724177 (E_RNA)
where:
Base-Base interactions energy: -445.616
where: short stacking energy: -183.987
Base-Backbone interact. energy: -1.060
local terms energy: -285.048370
where:
bonds (distance) C4'-P energy: -67.044
bonds (distance) P-C4' energy: -72.194
flat angles C4'-P-C4' energy: -69.572
flat angles P-C4'-P energy: -33.401
tors. eta vs tors. theta energy: -42.838
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: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -724.300097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.300097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.300097 (E_RNA)
where:
Base-Base interactions energy: -432.642
where: short stacking energy: -204.099
Base-Backbone interact. energy: 0.748
local terms energy: -292.406260
where:
bonds (distance) C4'-P energy: -61.939
bonds (distance) P-C4' energy: -67.545
flat angles C4'-P-C4' energy: -69.325
flat angles P-C4'-P energy: -44.103
tors. eta vs tors. theta energy: -49.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -499.779543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.779543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.779543 (E_RNA)
where:
Base-Base interactions energy: -236.846
where: short stacking energy: -133.610
Base-Backbone interact. energy: 1.029
local terms energy: -263.962439
where:
bonds (distance) C4'-P energy: -62.458
bonds (distance) P-C4' energy: -73.357
flat angles C4'-P-C4' energy: -67.684
flat angles P-C4'-P energy: -45.134
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -501.391465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.391465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.391465 (E_RNA)
where:
Base-Base interactions energy: -257.209
where: short stacking energy: -149.542
Base-Backbone interact. energy: 0.836
local terms energy: -245.018644
where:
bonds (distance) C4'-P energy: -60.727
bonds (distance) P-C4' energy: -69.599
flat angles C4'-P-C4' energy: -55.263
flat angles P-C4'-P energy: -37.135
tors. eta vs tors. theta energy: -22.295
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: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -421.474292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.474292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.474292 (E_RNA)
where:
Base-Base interactions energy: -203.473
where: short stacking energy: -129.063
Base-Backbone interact. energy: -0.653
local terms energy: -217.347595
where:
bonds (distance) C4'-P energy: -53.520
bonds (distance) P-C4' energy: -51.355
flat angles C4'-P-C4' energy: -63.348
flat angles P-C4'-P energy: -29.605
tors. eta vs tors. theta energy: -19.519
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: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -296.903775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.903775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.903775 (E_RNA)
where:
Base-Base interactions energy: -115.653
where: short stacking energy: -81.824
Base-Backbone interact. energy: 1.963
local terms energy: -183.214095
where:
bonds (distance) C4'-P energy: -56.178
bonds (distance) P-C4' energy: -53.836
flat angles C4'-P-C4' energy: -52.991
flat angles P-C4'-P energy: -29.240
tors. eta vs tors. theta energy: 9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -279.912652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.912652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.912652 (E_RNA)
where:
Base-Base interactions energy: -105.329
where: short stacking energy: -91.464
Base-Backbone interact. energy: -0.362
local terms energy: -174.221660
where:
bonds (distance) C4'-P energy: -40.801
bonds (distance) P-C4' energy: -63.559
flat angles C4'-P-C4' energy: -51.011
flat angles P-C4'-P energy: -24.558
tors. eta vs tors. theta energy: 5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -264.747387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.747387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.747387 (E_RNA)
where:
Base-Base interactions energy: -88.597
where: short stacking energy: -87.523
Base-Backbone interact. energy: -2.338
local terms energy: -173.812148
where:
bonds (distance) C4'-P energy: -42.665
bonds (distance) P-C4' energy: -58.626
flat angles C4'-P-C4' energy: -56.455
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: 4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -972.707754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.707754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.707754 (E_RNA)
where:
Base-Base interactions energy: -625.628
where: short stacking energy: -300.268
Base-Backbone interact. energy: -2.171
local terms energy: -344.908106
where:
bonds (distance) C4'-P energy: -69.748
bonds (distance) P-C4' energy: -61.905
flat angles C4'-P-C4' energy: -74.259
flat angles P-C4'-P energy: -41.913
tors. eta vs tors. theta energy: -97.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -794.381771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.381771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.381771 (E_RNA)
where:
Base-Base interactions energy: -510.851
where: short stacking energy: -231.372
Base-Backbone interact. energy: 2.116
local terms energy: -285.646512
where:
bonds (distance) C4'-P energy: -47.716
bonds (distance) P-C4' energy: -62.579
flat angles C4'-P-C4' energy: -68.843
flat angles P-C4'-P energy: -49.757
tors. eta vs tors. theta energy: -56.751
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: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -765.527591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.527591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.527591 (E_RNA)
where:
Base-Base interactions energy: -489.803
where: short stacking energy: -215.305
Base-Backbone interact. energy: -2.021
local terms energy: -273.703727
where:
bonds (distance) C4'-P energy: -71.451
bonds (distance) P-C4' energy: -61.998
flat angles C4'-P-C4' energy: -59.120
flat angles P-C4'-P energy: -40.199
tors. eta vs tors. theta energy: -40.936
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: 4, replica: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -668.080649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.080649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.080649 (E_RNA)
where:
Base-Base interactions energy: -407.384
where: short stacking energy: -198.353
Base-Backbone interact. energy: -0.968
local terms energy: -259.729135
where:
bonds (distance) C4'-P energy: -51.496
bonds (distance) P-C4' energy: -60.628
flat angles C4'-P-C4' energy: -61.144
flat angles P-C4'-P energy: -48.067
tors. eta vs tors. theta energy: -38.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -561.812049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.812049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.812049 (E_RNA)
where:
Base-Base interactions energy: -326.246
where: short stacking energy: -160.547
Base-Backbone interact. energy: -0.325
local terms energy: -235.240882
where:
bonds (distance) C4'-P energy: -57.309
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -68.747
flat angles P-C4'-P energy: -44.598
tors. eta vs tors. theta energy: -23.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -490.419109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.419109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.419109 (E_RNA)
where:
Base-Base interactions energy: -240.727
where: short stacking energy: -145.034
Base-Backbone interact. energy: 0.270
local terms energy: -249.961840
where:
bonds (distance) C4'-P energy: -57.182
bonds (distance) P-C4' energy: -68.370
flat angles C4'-P-C4' energy: -61.231
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: -33.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -444.353529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.353529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.353529 (E_RNA)
where:
Base-Base interactions energy: -191.550
where: short stacking energy: -130.386
Base-Backbone interact. energy: 1.692
local terms energy: -254.495046
where:
bonds (distance) C4'-P energy: -64.099
bonds (distance) P-C4' energy: -65.753
flat angles C4'-P-C4' energy: -68.221
flat angles P-C4'-P energy: -35.143
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -312.188450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.188450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.188450 (E_RNA)
where:
Base-Base interactions energy: -112.893
where: short stacking energy: -88.598
Base-Backbone interact. energy: -1.337
local terms energy: -197.958235
where:
bonds (distance) C4'-P energy: -51.074
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -53.855
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -277.476555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.476555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.476555 (E_RNA)
where:
Base-Base interactions energy: -106.157
where: short stacking energy: -81.788
Base-Backbone interact. energy: 3.709
local terms energy: -175.028077
where:
bonds (distance) C4'-P energy: -60.653
bonds (distance) P-C4' energy: -60.453
flat angles C4'-P-C4' energy: -49.243
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: 5.956
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: 10, replica: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -273.445362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.445362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.445362 (E_RNA)
where:
Base-Base interactions energy: -84.124
where: short stacking energy: -68.554
Base-Backbone interact. energy: -0.415
local terms energy: -188.906036
where:
bonds (distance) C4'-P energy: -49.534
bonds (distance) P-C4' energy: -61.293
flat angles C4'-P-C4' energy: -50.252
flat angles P-C4'-P energy: -36.327
tors. eta vs tors. theta energy: 8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -938.235071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.235071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.235071 (E_RNA)
where:
Base-Base interactions energy: -584.691
where: short stacking energy: -277.406
Base-Backbone interact. energy: -2.015
local terms energy: -351.528811
where:
bonds (distance) C4'-P energy: -66.414
bonds (distance) P-C4' energy: -75.581
flat angles C4'-P-C4' energy: -67.632
flat angles P-C4'-P energy: -59.042
tors. eta vs tors. theta energy: -82.860
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: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -829.141699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.141699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.141699 (E_RNA)
where:
Base-Base interactions energy: -521.411
where: short stacking energy: -224.794
Base-Backbone interact. energy: -0.999
local terms energy: -306.731679
where:
bonds (distance) C4'-P energy: -70.662
bonds (distance) P-C4' energy: -66.678
flat angles C4'-P-C4' energy: -71.950
flat angles P-C4'-P energy: -40.052
tors. eta vs tors. theta energy: -57.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -787.066232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.066232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.066232 (E_RNA)
where:
Base-Base interactions energy: -482.306
where: short stacking energy: -223.513
Base-Backbone interact. energy: -2.085
local terms energy: -302.675524
where:
bonds (distance) C4'-P energy: -72.801
bonds (distance) P-C4' energy: -63.018
flat angles C4'-P-C4' energy: -65.475
flat angles P-C4'-P energy: -48.150
tors. eta vs tors. theta energy: -53.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -575.043231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.043231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.043231 (E_RNA)
where:
Base-Base interactions energy: -320.696
where: short stacking energy: -160.951
Base-Backbone interact. energy: -2.412
local terms energy: -251.934960
where:
bonds (distance) C4'-P energy: -65.758
bonds (distance) P-C4' energy: -56.735
flat angles C4'-P-C4' energy: -61.206
flat angles P-C4'-P energy: -46.877
tors. eta vs tors. theta energy: -21.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -580.775642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.775642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.775642 (E_RNA)
where:
Base-Base interactions energy: -318.318
where: short stacking energy: -177.347
Base-Backbone interact. energy: 1.068
local terms energy: -263.525221
where:
bonds (distance) C4'-P energy: -62.058
bonds (distance) P-C4' energy: -55.052
flat angles C4'-P-C4' energy: -66.619
flat angles P-C4'-P energy: -44.880
tors. eta vs tors. theta energy: -34.917
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: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -448.463236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.463236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.463236 (E_RNA)
where:
Base-Base interactions energy: -198.096
where: short stacking energy: -125.206
Base-Backbone interact. energy: -0.865
local terms energy: -249.502332
where:
bonds (distance) C4'-P energy: -65.217
bonds (distance) P-C4' energy: -64.355
flat angles C4'-P-C4' energy: -61.829
flat angles P-C4'-P energy: -38.047
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: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -424.718853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.718853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.718853 (E_RNA)
where:
Base-Base interactions energy: -223.024
where: short stacking energy: -133.871
Base-Backbone interact. energy: -2.901
local terms energy: -198.794653
where:
bonds (distance) C4'-P energy: -52.008
bonds (distance) P-C4' energy: -63.710
flat angles C4'-P-C4' energy: -43.839
flat angles P-C4'-P energy: -35.352
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -308.306951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.306951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.306951 (E_RNA)
where:
Base-Base interactions energy: -120.107
where: short stacking energy: -100.376
Base-Backbone interact. energy: 0.115
local terms energy: -188.315287
where:
bonds (distance) C4'-P energy: -56.786
bonds (distance) P-C4' energy: -60.440
flat angles C4'-P-C4' energy: -43.567
flat angles P-C4'-P energy: -27.336
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -278.134643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.134643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.134643 (E_RNA)
where:
Base-Base interactions energy: -95.715
where: short stacking energy: -82.792
Base-Backbone interact. energy: 0.438
local terms energy: -182.857283
where:
bonds (distance) C4'-P energy: -59.259
bonds (distance) P-C4' energy: -55.370
flat angles C4'-P-C4' energy: -37.121
flat angles P-C4'-P energy: -36.616
tors. eta vs tors. theta energy: 5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -280.665422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.665422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.665422 (E_RNA)
where:
Base-Base interactions energy: -92.131
where: short stacking energy: -89.014
Base-Backbone interact. energy: 1.943
local terms energy: -190.477660
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -48.897
flat angles C4'-P-C4' energy: -45.197
flat angles P-C4'-P energy: -45.827
tors. eta vs tors. theta energy: 3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -953.548737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.548737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.548737 (E_RNA)
where:
Base-Base interactions energy: -621.465
where: short stacking energy: -278.946
Base-Backbone interact. energy: -2.111
local terms energy: -329.972937
where:
bonds (distance) C4'-P energy: -67.722
bonds (distance) P-C4' energy: -61.684
flat angles C4'-P-C4' energy: -72.869
flat angles P-C4'-P energy: -50.499
tors. eta vs tors. theta energy: -77.200
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: 32
Temperature: 0.950000
Total energy: -853.709923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.709923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.709923 (E_RNA)
where:
Base-Base interactions energy: -542.857
where: short stacking energy: -230.870
Base-Backbone interact. energy: 0.292
local terms energy: -311.144542
where:
bonds (distance) C4'-P energy: -61.637
bonds (distance) P-C4' energy: -68.007
flat angles C4'-P-C4' energy: -76.922
flat angles P-C4'-P energy: -44.226
tors. eta vs tors. theta energy: -60.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -818.068332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.068332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.068332 (E_RNA)
where:
Base-Base interactions energy: -501.551
where: short stacking energy: -242.782
Base-Backbone interact. energy: -2.564
local terms energy: -313.953170
where:
bonds (distance) C4'-P energy: -74.715
bonds (distance) P-C4' energy: -61.699
flat angles C4'-P-C4' energy: -73.734
flat angles P-C4'-P energy: -41.983
tors. eta vs tors. theta energy: -61.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -624.092087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.092087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.092087 (E_RNA)
where:
Base-Base interactions energy: -354.625
where: short stacking energy: -176.846
Base-Backbone interact. energy: -2.798
local terms energy: -266.668992
where:
bonds (distance) C4'-P energy: -67.830
bonds (distance) P-C4' energy: -56.319
flat angles C4'-P-C4' energy: -63.704
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -34.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -595.976875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.976875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.976875 (E_RNA)
where:
Base-Base interactions energy: -323.727
where: short stacking energy: -185.815
Base-Backbone interact. energy: -1.888
local terms energy: -270.361512
where:
bonds (distance) C4'-P energy: -63.988
bonds (distance) P-C4' energy: -58.751
flat angles C4'-P-C4' energy: -65.998
flat angles P-C4'-P energy: -41.346
tors. eta vs tors. theta energy: -40.279
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: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -455.971686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.971686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.971686 (E_RNA)
where:
Base-Base interactions energy: -225.809
where: short stacking energy: -140.588
Base-Backbone interact. energy: -0.220
local terms energy: -230.545413
where:
bonds (distance) C4'-P energy: -55.671
bonds (distance) P-C4' energy: -67.883
flat angles C4'-P-C4' energy: -62.824
flat angles P-C4'-P energy: -29.438
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.603 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -397.278734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.278734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.278734 (E_RNA)
where:
Base-Base interactions energy: -185.269
where: short stacking energy: -111.243
Base-Backbone interact. energy: -1.140
local terms energy: -210.869871
where:
bonds (distance) C4'-P energy: -60.981
bonds (distance) P-C4' energy: -46.281
flat angles C4'-P-C4' energy: -62.954
flat angles P-C4'-P energy: -31.118
tors. eta vs tors. theta energy: -9.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -325.234423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.234423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.234423 (E_RNA)
where:
Base-Base interactions energy: -123.748
where: short stacking energy: -82.938
Base-Backbone interact. energy: 0.810
local terms energy: -202.296583
where:
bonds (distance) C4'-P energy: -53.596
bonds (distance) P-C4' energy: -70.421
flat angles C4'-P-C4' energy: -45.876
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: 0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -298.056838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.056838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.056838 (E_RNA)
where:
Base-Base interactions energy: -116.824
where: short stacking energy: -88.120
Base-Backbone interact. energy: 1.431
local terms energy: -182.663625
where:
bonds (distance) C4'-P energy: -51.043
bonds (distance) P-C4' energy: -68.265
flat angles C4'-P-C4' energy: -48.048
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: 5.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -262.566677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.566677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.566677 (E_RNA)
where:
Base-Base interactions energy: -88.980
where: short stacking energy: -74.844
Base-Backbone interact. energy: -3.239
local terms energy: -170.347608
where:
bonds (distance) C4'-P energy: -63.502
bonds (distance) P-C4' energy: -66.886
flat angles C4'-P-C4' energy: -32.988
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: 4.935
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: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -939.414883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.414883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.414883 (E_RNA)
where:
Base-Base interactions energy: -604.384
where: short stacking energy: -278.804
Base-Backbone interact. energy: -2.298
local terms energy: -332.732485
where:
bonds (distance) C4'-P energy: -63.313
bonds (distance) P-C4' energy: -68.129
flat angles C4'-P-C4' energy: -77.962
flat angles P-C4'-P energy: -48.764
tors. eta vs tors. theta energy: -74.564
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: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -856.720537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.720537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.720537 (E_RNA)
where:
Base-Base interactions energy: -534.608
where: short stacking energy: -235.684
Base-Backbone interact. energy: -2.973
local terms energy: -319.139182
where:
bonds (distance) C4'-P energy: -60.931
bonds (distance) P-C4' energy: -71.754
flat angles C4'-P-C4' energy: -73.374
flat angles P-C4'-P energy: -55.919
tors. eta vs tors. theta energy: -57.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -793.074355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.074355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.074355 (E_RNA)
where:
Base-Base interactions energy: -506.026
where: short stacking energy: -228.551
Base-Backbone interact. energy: 0.494
local terms energy: -287.541479
where:
bonds (distance) C4'-P energy: -63.182
bonds (distance) P-C4' energy: -56.032
flat angles C4'-P-C4' energy: -60.591
flat angles P-C4'-P energy: -52.878
tors. eta vs tors. theta energy: -54.858
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: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -681.914328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.914328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.914328 (E_RNA)
where:
Base-Base interactions energy: -387.546
where: short stacking energy: -221.309
Base-Backbone interact. energy: -0.477
local terms energy: -293.892119
where:
bonds (distance) C4'-P energy: -69.461
bonds (distance) P-C4' energy: -71.904
flat angles C4'-P-C4' energy: -67.863
flat angles P-C4'-P energy: -34.592
tors. eta vs tors. theta energy: -50.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -595.234393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.234393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.234393 (E_RNA)
where:
Base-Base interactions energy: -306.533
where: short stacking energy: -165.444
Base-Backbone interact. energy: -2.292
local terms energy: -286.409103
where:
bonds (distance) C4'-P energy: -65.874
bonds (distance) P-C4' energy: -69.544
flat angles C4'-P-C4' energy: -62.764
flat angles P-C4'-P energy: -51.736
tors. eta vs tors. theta energy: -36.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -443.973986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.973986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.973986 (E_RNA)
where:
Base-Base interactions energy: -213.143
where: short stacking energy: -144.089
Base-Backbone interact. energy: 1.174
local terms energy: -232.005722
where:
bonds (distance) C4'-P energy: -65.896
bonds (distance) P-C4' energy: -56.768
flat angles C4'-P-C4' energy: -55.219
flat angles P-C4'-P energy: -37.139
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -361.989479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.989479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.989479 (E_RNA)
where:
Base-Base interactions energy: -142.271
where: short stacking energy: -111.076
Base-Backbone interact. energy: 1.151
local terms energy: -220.869652
where:
bonds (distance) C4'-P energy: -49.484
bonds (distance) P-C4' energy: -57.517
flat angles C4'-P-C4' energy: -69.944
flat angles P-C4'-P energy: -34.644
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: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -340.012571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.012571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.012571 (E_RNA)
where:
Base-Base interactions energy: -145.316
where: short stacking energy: -100.519
Base-Backbone interact. energy: -0.254
local terms energy: -194.442649
where:
bonds (distance) C4'-P energy: -49.266
bonds (distance) P-C4' energy: -51.502
flat angles C4'-P-C4' energy: -56.209
flat angles P-C4'-P energy: -40.744
tors. eta vs tors. theta energy: 3.278
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: 3
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -291.709662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.709662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.709662 (E_RNA)
where:
Base-Base interactions energy: -83.088
where: short stacking energy: -65.102
Base-Backbone interact. energy: -1.053
local terms energy: -207.568690
where:
bonds (distance) C4'-P energy: -52.444
bonds (distance) P-C4' energy: -60.992
flat angles C4'-P-C4' energy: -52.328
flat angles P-C4'-P energy: -43.234
tors. eta vs tors. theta energy: 1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -260.668935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.668935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.668935 (E_RNA)
where:
Base-Base interactions energy: -89.455
where: short stacking energy: -60.672
Base-Backbone interact. energy: -1.972
local terms energy: -169.242349
where:
bonds (distance) C4'-P energy: -58.073
bonds (distance) P-C4' energy: -63.960
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: 21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -944.040562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.040562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.040562 (E_RNA)
where:
Base-Base interactions energy: -596.324
where: short stacking energy: -271.295
Base-Backbone interact. energy: -2.256
local terms energy: -345.460055
where:
bonds (distance) C4'-P energy: -67.357
bonds (distance) P-C4' energy: -70.747
flat angles C4'-P-C4' energy: -72.608
flat angles P-C4'-P energy: -48.507
tors. eta vs tors. theta energy: -86.241
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: 34
Temperature: 0.950000
Total energy: -862.467854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.467854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.467854 (E_RNA)
where:
Base-Base interactions energy: -550.613
where: short stacking energy: -257.261
Base-Backbone interact. energy: 1.504
local terms energy: -313.359466
where:
bonds (distance) C4'-P energy: -58.891
bonds (distance) P-C4' energy: -73.191
flat angles C4'-P-C4' energy: -68.931
flat angles P-C4'-P energy: -41.518
tors. eta vs tors. theta energy: -70.829
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: 34
Temperature: 1.000000
Total energy: -723.049888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.049888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.049888 (E_RNA)
where:
Base-Base interactions energy: -444.636
where: short stacking energy: -216.005
Base-Backbone interact. energy: -1.395
local terms energy: -277.018626
where:
bonds (distance) C4'-P energy: -53.130
bonds (distance) P-C4' energy: -68.141
flat angles C4'-P-C4' energy: -65.626
flat angles P-C4'-P energy: -34.976
tors. eta vs tors. theta energy: -55.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -739.072453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.072453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.072453 (E_RNA)
where:
Base-Base interactions energy: -471.055
where: short stacking energy: -217.892
Base-Backbone interact. energy: 1.482
local terms energy: -269.499199
where:
bonds (distance) C4'-P energy: -61.089
bonds (distance) P-C4' energy: -65.593
flat angles C4'-P-C4' energy: -57.407
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -49.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -572.960945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.960945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.960945 (E_RNA)
where:
Base-Base interactions energy: -314.460
where: short stacking energy: -170.768
Base-Backbone interact. energy: -0.239
local terms energy: -258.261569
where:
bonds (distance) C4'-P energy: -60.171
bonds (distance) P-C4' energy: -62.224
flat angles C4'-P-C4' energy: -57.661
flat angles P-C4'-P energy: -44.672
tors. eta vs tors. theta energy: -33.534
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: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -456.835083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.835083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.835083 (E_RNA)
where:
Base-Base interactions energy: -220.933
where: short stacking energy: -143.464
Base-Backbone interact. energy: -1.456
local terms energy: -234.446533
where:
bonds (distance) C4'-P energy: -63.797
bonds (distance) P-C4' energy: -62.817
flat angles C4'-P-C4' energy: -52.981
flat angles P-C4'-P energy: -32.457
tors. eta vs tors. theta energy: -22.394
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: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -372.875178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.875178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.875178 (E_RNA)
where:
Base-Base interactions energy: -159.567
where: short stacking energy: -128.579
Base-Backbone interact. energy: -1.079
local terms energy: -212.229917
where:
bonds (distance) C4'-P energy: -55.182
bonds (distance) P-C4' energy: -44.604
flat angles C4'-P-C4' energy: -68.960
flat angles P-C4'-P energy: -34.406
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -320.364769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.364769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.364769 (E_RNA)
where:
Base-Base interactions energy: -120.907
where: short stacking energy: -106.887
Base-Backbone interact. energy: 1.311
local terms energy: -200.769106
where:
bonds (distance) C4'-P energy: -55.270
bonds (distance) P-C4' energy: -65.871
flat angles C4'-P-C4' energy: -45.967
flat angles P-C4'-P energy: -35.490
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: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -291.924747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.924747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.924747 (E_RNA)
where:
Base-Base interactions energy: -90.588
where: short stacking energy: -78.044
Base-Backbone interact. energy: 2.332
local terms energy: -203.668733
where:
bonds (distance) C4'-P energy: -54.995
bonds (distance) P-C4' energy: -52.590
flat angles C4'-P-C4' energy: -54.845
flat angles P-C4'-P energy: -32.945
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -257.844637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.844637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.844637 (E_RNA)
where:
Base-Base interactions energy: -96.843
where: short stacking energy: -82.471
Base-Backbone interact. energy: -1.549
local terms energy: -159.452951
where:
bonds (distance) C4'-P energy: -56.624
bonds (distance) P-C4' energy: -51.311
flat angles C4'-P-C4' energy: -33.268
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: 6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -949.326721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.326721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.326721 (E_RNA)
where:
Base-Base interactions energy: -612.404
where: short stacking energy: -280.510
Base-Backbone interact. energy: -0.953
local terms energy: -335.969923
where:
bonds (distance) C4'-P energy: -71.292
bonds (distance) P-C4' energy: -65.794
flat angles C4'-P-C4' energy: -72.735
flat angles P-C4'-P energy: -47.984
tors. eta vs tors. theta energy: -78.165
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: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -831.140971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.140971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.140971 (E_RNA)
where:
Base-Base interactions energy: -522.708
where: short stacking energy: -228.946
Base-Backbone interact. energy: -1.520
local terms energy: -306.912809
where:
bonds (distance) C4'-P energy: -69.295
bonds (distance) P-C4' energy: -74.096
flat angles C4'-P-C4' energy: -58.924
flat angles P-C4'-P energy: -43.709
tors. eta vs tors. theta energy: -60.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -719.372752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.372752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.372752 (E_RNA)
where:
Base-Base interactions energy: -440.340
where: short stacking energy: -200.905
Base-Backbone interact. energy: 0.204
local terms energy: -279.236521
where:
bonds (distance) C4'-P energy: -61.794
bonds (distance) P-C4' energy: -63.571
flat angles C4'-P-C4' energy: -67.075
flat angles P-C4'-P energy: -42.500
tors. eta vs tors. theta energy: -44.297
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: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -755.472218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.472218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.472218 (E_RNA)
where:
Base-Base interactions energy: -469.999
where: short stacking energy: -224.999
Base-Backbone interact. energy: 1.472
local terms energy: -288.074123
where:
bonds (distance) C4'-P energy: -56.659
bonds (distance) P-C4' energy: -70.043
flat angles C4'-P-C4' energy: -70.161
flat angles P-C4'-P energy: -39.808
tors. eta vs tors. theta energy: -51.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.129 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -610.994059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.994059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.994059 (E_RNA)
where:
Base-Base interactions energy: -334.378
where: short stacking energy: -187.794
Base-Backbone interact. energy: -2.268
local terms energy: -274.347316
where:
bonds (distance) C4'-P energy: -63.253
bonds (distance) P-C4' energy: -56.446
flat angles C4'-P-C4' energy: -56.761
flat angles P-C4'-P energy: -50.174
tors. eta vs tors. theta energy: -47.714
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: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -473.329177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.329177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.329177 (E_RNA)
where:
Base-Base interactions energy: -242.353
where: short stacking energy: -150.698
Base-Backbone interact. energy: 2.369
local terms energy: -233.345610
where:
bonds (distance) C4'-P energy: -58.973
bonds (distance) P-C4' energy: -59.656
flat angles C4'-P-C4' energy: -62.457
flat angles P-C4'-P energy: -32.976
tors. eta vs tors. theta energy: -19.284
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: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -328.762766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.762766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.762766 (E_RNA)
where:
Base-Base interactions energy: -118.922
where: short stacking energy: -111.268
Base-Backbone interact. energy: 0.674
local terms energy: -210.515032
where:
bonds (distance) C4'-P energy: -62.347
bonds (distance) P-C4' energy: -65.458
flat angles C4'-P-C4' energy: -34.281
flat angles P-C4'-P energy: -39.343
tors. eta vs tors. theta energy: -9.086
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: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -327.937208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.937208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.937208 (E_RNA)
where:
Base-Base interactions energy: -144.494
where: short stacking energy: -99.137
Base-Backbone interact. energy: -1.710
local terms energy: -181.733182
where:
bonds (distance) C4'-P energy: -54.708
bonds (distance) P-C4' energy: -55.148
flat angles C4'-P-C4' energy: -43.367
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -282.394825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.394825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.394825 (E_RNA)
where:
Base-Base interactions energy: -76.751
where: short stacking energy: -75.456
Base-Backbone interact. energy: -0.880
local terms energy: -204.763190
where:
bonds (distance) C4'-P energy: -57.572
bonds (distance) P-C4' energy: -68.967
flat angles C4'-P-C4' energy: -51.237
flat angles P-C4'-P energy: -34.169
tors. eta vs tors. theta energy: 7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -270.579731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.579731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.579731 (E_RNA)
where:
Base-Base interactions energy: -104.200
where: short stacking energy: -83.317
Base-Backbone interact. energy: -0.111
local terms energy: -166.269154
where:
bonds (distance) C4'-P energy: -47.982
bonds (distance) P-C4' energy: -58.836
flat angles C4'-P-C4' energy: -45.382
flat angles P-C4'-P energy: -28.455
tors. eta vs tors. theta energy: 14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -957.383527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.383527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.383527 (E_RNA)
where:
Base-Base interactions energy: -598.116
where: short stacking energy: -276.730
Base-Backbone interact. energy: -1.427
local terms energy: -357.840888
where:
bonds (distance) C4'-P energy: -68.403
bonds (distance) P-C4' energy: -75.235
flat angles C4'-P-C4' energy: -70.159
flat angles P-C4'-P energy: -55.893
tors. eta vs tors. theta energy: -88.150
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: 36
Temperature: 0.950000
Total energy: -890.161507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.161507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.161507 (E_RNA)
where:
Base-Base interactions energy: -565.396
where: short stacking energy: -254.615
Base-Backbone interact. energy: 0.236
local terms energy: -325.001560
where:
bonds (distance) C4'-P energy: -64.291
bonds (distance) P-C4' energy: -70.769
flat angles C4'-P-C4' energy: -80.653
flat angles P-C4'-P energy: -42.950
tors. eta vs tors. theta energy: -66.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -757.416419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.416419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.416419 (E_RNA)
where:
Base-Base interactions energy: -467.076
where: short stacking energy: -207.487
Base-Backbone interact. energy: -1.972
local terms energy: -288.369255
where:
bonds (distance) C4'-P energy: -59.713
bonds (distance) P-C4' energy: -65.891
flat angles C4'-P-C4' energy: -67.812
flat angles P-C4'-P energy: -44.404
tors. eta vs tors. theta energy: -50.549
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: 36
Temperature: 1.050000
Total energy: -739.446546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.446546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.446546 (E_RNA)
where:
Base-Base interactions energy: -448.595
where: short stacking energy: -215.892
Base-Backbone interact. energy: 2.239
local terms energy: -293.090582
where:
bonds (distance) C4'-P energy: -64.750
bonds (distance) P-C4' energy: -70.999
flat angles C4'-P-C4' energy: -66.008
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: -46.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -583.567578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.567578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.567578 (E_RNA)
where:
Base-Base interactions energy: -314.140
where: short stacking energy: -169.928
Base-Backbone interact. energy: -1.911
local terms energy: -267.517039
where:
bonds (distance) C4'-P energy: -53.934
bonds (distance) P-C4' energy: -66.765
flat angles C4'-P-C4' energy: -64.753
flat angles P-C4'-P energy: -44.712
tors. eta vs tors. theta energy: -37.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -438.669145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.669145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.669145 (E_RNA)
where:
Base-Base interactions energy: -195.775
where: short stacking energy: -120.665
Base-Backbone interact. energy: -1.166
local terms energy: -241.727354
where:
bonds (distance) C4'-P energy: -55.971
bonds (distance) P-C4' energy: -69.864
flat angles C4'-P-C4' energy: -68.795
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -19.178
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: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -346.621475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.621475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.621475 (E_RNA)
where:
Base-Base interactions energy: -152.121
where: short stacking energy: -108.187
Base-Backbone interact. energy: -0.232
local terms energy: -194.269018
where:
bonds (distance) C4'-P energy: -58.379
bonds (distance) P-C4' energy: -69.536
flat angles C4'-P-C4' energy: -50.309
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: 8.231
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: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -311.975230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.975230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.975230 (E_RNA)
where:
Base-Base interactions energy: -124.397
where: short stacking energy: -87.984
Base-Backbone interact. energy: -1.265
local terms energy: -186.313182
where:
bonds (distance) C4'-P energy: -58.132
bonds (distance) P-C4' energy: -64.603
flat angles C4'-P-C4' energy: -44.395
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: 3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -302.671992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.671992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.671992 (E_RNA)
where:
Base-Base interactions energy: -91.960
where: short stacking energy: -68.402
Base-Backbone interact. energy: -0.089
local terms energy: -210.623707
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -69.451
flat angles C4'-P-C4' energy: -55.677
flat angles P-C4'-P energy: -42.123
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: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -273.507755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.507755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.507755 (E_RNA)
where:
Base-Base interactions energy: -86.921
where: short stacking energy: -84.420
Base-Backbone interact. energy: 1.811
local terms energy: -188.397664
where:
bonds (distance) C4'-P energy: -54.716
bonds (distance) P-C4' energy: -60.208
flat angles C4'-P-C4' energy: -51.091
flat angles P-C4'-P energy: -27.474
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: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -949.544244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.544244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.544244 (E_RNA)
where:
Base-Base interactions energy: -606.191
where: short stacking energy: -283.990
Base-Backbone interact. energy: 0.385
local terms energy: -343.737910
where:
bonds (distance) C4'-P energy: -70.386
bonds (distance) P-C4' energy: -65.190
flat angles C4'-P-C4' energy: -70.832
flat angles P-C4'-P energy: -52.149
tors. eta vs tors. theta energy: -85.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -881.413657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.413657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.413657 (E_RNA)
where:
Base-Base interactions energy: -568.822
where: short stacking energy: -259.013
Base-Backbone interact. energy: 1.065
local terms energy: -313.657006
where:
bonds (distance) C4'-P energy: -70.652
bonds (distance) P-C4' energy: -68.669
flat angles C4'-P-C4' energy: -63.548
flat angles P-C4'-P energy: -43.498
tors. eta vs tors. theta energy: -67.290
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: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -842.799700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.799700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.799700 (E_RNA)
where:
Base-Base interactions energy: -557.907
where: short stacking energy: -235.555
Base-Backbone interact. energy: 0.409
local terms energy: -285.301700
where:
bonds (distance) C4'-P energy: -71.040
bonds (distance) P-C4' energy: -66.305
flat angles C4'-P-C4' energy: -64.089
flat angles P-C4'-P energy: -35.105
tors. eta vs tors. theta energy: -48.763
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: 9
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -785.532568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.532568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.532568 (E_RNA)
where:
Base-Base interactions energy: -499.280
where: short stacking energy: -231.806
Base-Backbone interact. energy: -2.013
local terms energy: -284.239291
where:
bonds (distance) C4'-P energy: -71.759
bonds (distance) P-C4' energy: -67.597
flat angles C4'-P-C4' energy: -60.196
flat angles P-C4'-P energy: -37.784
tors. eta vs tors. theta energy: -46.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -588.636500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.636500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.636500 (E_RNA)
where:
Base-Base interactions energy: -332.384
where: short stacking energy: -200.206
Base-Backbone interact. energy: 1.642
local terms energy: -257.894360
where:
bonds (distance) C4'-P energy: -68.255
bonds (distance) P-C4' energy: -63.193
flat angles C4'-P-C4' energy: -57.230
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -32.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -414.077068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.077068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.077068 (E_RNA)
where:
Base-Base interactions energy: -196.383
where: short stacking energy: -135.415
Base-Backbone interact. energy: -0.743
local terms energy: -216.951044
where:
bonds (distance) C4'-P energy: -62.022
bonds (distance) P-C4' energy: -58.465
flat angles C4'-P-C4' energy: -58.706
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -346.242914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.242914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.242914 (E_RNA)
where:
Base-Base interactions energy: -132.950
where: short stacking energy: -107.062
Base-Backbone interact. energy: -1.094
local terms energy: -212.198736
where:
bonds (distance) C4'-P energy: -52.032
bonds (distance) P-C4' energy: -55.378
flat angles C4'-P-C4' energy: -62.051
flat angles P-C4'-P energy: -29.577
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -304.601571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.601571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.601571 (E_RNA)
where:
Base-Base interactions energy: -118.217
where: short stacking energy: -87.276
Base-Backbone interact. energy: 3.843
local terms energy: -190.227619
where:
bonds (distance) C4'-P energy: -54.117
bonds (distance) P-C4' energy: -57.832
flat angles C4'-P-C4' energy: -59.600
flat angles P-C4'-P energy: -24.033
tors. eta vs tors. theta energy: 5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -285.587404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.587404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.587404 (E_RNA)
where:
Base-Base interactions energy: -109.321
where: short stacking energy: -76.069
Base-Backbone interact. energy: -3.245
local terms energy: -173.021431
where:
bonds (distance) C4'-P energy: -49.525
bonds (distance) P-C4' energy: -59.843
flat angles C4'-P-C4' energy: -38.820
flat angles P-C4'-P energy: -29.954
tors. eta vs tors. theta energy: 5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -277.354043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.354043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.354043 (E_RNA)
where:
Base-Base interactions energy: -92.305
where: short stacking energy: -76.764
Base-Backbone interact. energy: 1.962
local terms energy: -187.011008
where:
bonds (distance) C4'-P energy: -60.817
bonds (distance) P-C4' energy: -70.131
flat angles C4'-P-C4' energy: -36.420
flat angles P-C4'-P energy: -32.662
tors. eta vs tors. theta energy: 13.019
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: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -949.945406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.945406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.945406 (E_RNA)
where:
Base-Base interactions energy: -624.186
where: short stacking energy: -272.429
Base-Backbone interact. energy: -2.238
local terms energy: -323.521420
where:
bonds (distance) C4'-P energy: -63.445
bonds (distance) P-C4' energy: -64.510
flat angles C4'-P-C4' energy: -69.936
flat angles P-C4'-P energy: -45.402
tors. eta vs tors. theta energy: -80.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -878.030484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.030484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.030484 (E_RNA)
where:
Base-Base interactions energy: -556.259
where: short stacking energy: -261.758
Base-Backbone interact. energy: -2.897
local terms energy: -318.875368
where:
bonds (distance) C4'-P energy: -65.916
bonds (distance) P-C4' energy: -67.769
flat angles C4'-P-C4' energy: -67.360
flat angles P-C4'-P energy: -52.927
tors. eta vs tors. theta energy: -64.903
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: 38
Temperature: 1.000000
Total energy: -867.693802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.693802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.693802 (E_RNA)
where:
Base-Base interactions energy: -554.418
where: short stacking energy: -249.907
Base-Backbone interact. energy: -0.246
local terms energy: -313.029970
where:
bonds (distance) C4'-P energy: -60.828
bonds (distance) P-C4' energy: -68.568
flat angles C4'-P-C4' energy: -68.084
flat angles P-C4'-P energy: -50.929
tors. eta vs tors. theta energy: -64.622
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: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -798.068410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.068410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.068410 (E_RNA)
where:
Base-Base interactions energy: -491.717
where: short stacking energy: -244.074
Base-Backbone interact. energy: -0.581
local terms energy: -305.816191
where:
bonds (distance) C4'-P energy: -59.065
bonds (distance) P-C4' energy: -68.193
flat angles C4'-P-C4' energy: -69.976
flat angles P-C4'-P energy: -40.153
tors. eta vs tors. theta energy: -68.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.046 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -578.748669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.748669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.748669 (E_RNA)
where:
Base-Base interactions energy: -313.960
where: short stacking energy: -183.552
Base-Backbone interact. energy: 0.102
local terms energy: -264.890661
where:
bonds (distance) C4'-P energy: -62.517
bonds (distance) P-C4' energy: -61.193
flat angles C4'-P-C4' energy: -70.707
flat angles P-C4'-P energy: -29.635
tors. eta vs tors. theta energy: -40.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -425.818174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.818174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.818174 (E_RNA)
where:
Base-Base interactions energy: -202.992
where: short stacking energy: -124.025
Base-Backbone interact. energy: -2.730
local terms energy: -220.096103
where:
bonds (distance) C4'-P energy: -48.386
bonds (distance) P-C4' energy: -60.444
flat angles C4'-P-C4' energy: -58.446
flat angles P-C4'-P energy: -41.700
tors. eta vs tors. theta energy: -11.121
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: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -365.424390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.424390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.424390 (E_RNA)
where:
Base-Base interactions energy: -172.580
where: short stacking energy: -110.582
Base-Backbone interact. energy: 2.034
local terms energy: -194.878659
where:
bonds (distance) C4'-P energy: -56.856
bonds (distance) P-C4' energy: -46.277
flat angles C4'-P-C4' energy: -48.363
flat angles P-C4'-P energy: -33.981
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: 8, replica: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -336.932338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.932338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.932338 (E_RNA)
where:
Base-Base interactions energy: -138.251
where: short stacking energy: -114.801
Base-Backbone interact. energy: -1.165
local terms energy: -197.516646
where:
bonds (distance) C4'-P energy: -60.842
bonds (distance) P-C4' energy: -53.419
flat angles C4'-P-C4' energy: -49.870
flat angles P-C4'-P energy: -29.828
tors. eta vs tors. theta energy: -3.557
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: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -277.538952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.538952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.538952 (E_RNA)
where:
Base-Base interactions energy: -109.718
where: short stacking energy: -79.870
Base-Backbone interact. energy: -2.155
local terms energy: -165.665138
where:
bonds (distance) C4'-P energy: -50.351
bonds (distance) P-C4' energy: -54.206
flat angles C4'-P-C4' energy: -42.981
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: 18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -260.464898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.464898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.464898 (E_RNA)
where:
Base-Base interactions energy: -85.741
where: short stacking energy: -72.797
Base-Backbone interact. energy: 1.684
local terms energy: -176.407931
where:
bonds (distance) C4'-P energy: -43.716
bonds (distance) P-C4' energy: -57.517
flat angles C4'-P-C4' energy: -54.606
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: 8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -964.326167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.326167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.326167 (E_RNA)
where:
Base-Base interactions energy: -620.742
where: short stacking energy: -292.971
Base-Backbone interact. energy: -1.337
local terms energy: -342.247631
where:
bonds (distance) C4'-P energy: -77.380
bonds (distance) P-C4' energy: -60.871
flat angles C4'-P-C4' energy: -69.044
flat angles P-C4'-P energy: -52.069
tors. eta vs tors. theta energy: -82.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -883.891882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.891882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.891882 (E_RNA)
where:
Base-Base interactions energy: -556.403
where: short stacking energy: -267.382
Base-Backbone interact. energy: -1.467
local terms energy: -326.022253
where:
bonds (distance) C4'-P energy: -69.783
bonds (distance) P-C4' energy: -69.303
flat angles C4'-P-C4' energy: -76.453
flat angles P-C4'-P energy: -37.605
tors. eta vs tors. theta energy: -72.879
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: 39
Temperature: 1.000000
Total energy: -868.294321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.294321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.294321 (E_RNA)
where:
Base-Base interactions energy: -547.002
where: short stacking energy: -257.641
Base-Backbone interact. energy: -0.891
local terms energy: -320.401048
where:
bonds (distance) C4'-P energy: -71.240
bonds (distance) P-C4' energy: -63.282
flat angles C4'-P-C4' energy: -64.112
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -68.825
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: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -810.501863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.501863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.501863 (E_RNA)
where:
Base-Base interactions energy: -522.993
where: short stacking energy: -238.049
Base-Backbone interact. energy: -0.987
local terms energy: -286.522035
where:
bonds (distance) C4'-P energy: -56.145
bonds (distance) P-C4' energy: -61.422
flat angles C4'-P-C4' energy: -66.282
flat angles P-C4'-P energy: -34.146
tors. eta vs tors. theta energy: -68.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -636.316480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.316480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.316480 (E_RNA)
where:
Base-Base interactions energy: -374.418
where: short stacking energy: -157.971
Base-Backbone interact. energy: -0.292
local terms energy: -261.606150
where:
bonds (distance) C4'-P energy: -65.795
bonds (distance) P-C4' energy: -66.698
flat angles C4'-P-C4' energy: -60.841
flat angles P-C4'-P energy: -41.573
tors. eta vs tors. theta energy: -26.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -413.998452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.998452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.998452 (E_RNA)
where:
Base-Base interactions energy: -183.157
where: short stacking energy: -124.740
Base-Backbone interact. energy: -3.041
local terms energy: -227.800419
where:
bonds (distance) C4'-P energy: -63.216
bonds (distance) P-C4' energy: -54.942
flat angles C4'-P-C4' energy: -62.261
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -419.548475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.548475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.548475 (E_RNA)
where:
Base-Base interactions energy: -209.419
where: short stacking energy: -102.800
Base-Backbone interact. energy: 1.409
local terms energy: -211.537976
where:
bonds (distance) C4'-P energy: -56.475
bonds (distance) P-C4' energy: -66.140
flat angles C4'-P-C4' energy: -50.841
flat angles P-C4'-P energy: -32.640
tors. eta vs tors. theta energy: -5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -321.684645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.684645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.684645 (E_RNA)
where:
Base-Base interactions energy: -120.065
where: short stacking energy: -89.482
Base-Backbone interact. energy: 1.083
local terms energy: -202.702515
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -63.971
flat angles C4'-P-C4' energy: -45.685
flat angles P-C4'-P energy: -41.509
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -280.369605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.369605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.369605 (E_RNA)
where:
Base-Base interactions energy: -95.974
where: short stacking energy: -69.394
Base-Backbone interact. energy: -0.562
local terms energy: -183.833072
where:
bonds (distance) C4'-P energy: -58.042
bonds (distance) P-C4' energy: -59.255
flat angles C4'-P-C4' energy: -52.818
flat angles P-C4'-P energy: -31.011
tors. eta vs tors. theta energy: 17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -288.773484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.773484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.773484 (E_RNA)
where:
Base-Base interactions energy: -97.162
where: short stacking energy: -73.601
Base-Backbone interact. energy: 0.378
local terms energy: -191.988837
where:
bonds (distance) C4'-P energy: -57.171
bonds (distance) P-C4' energy: -48.083
flat angles C4'-P-C4' energy: -50.348
flat angles P-C4'-P energy: -34.693
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -987.328675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.328675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.328675 (E_RNA)
where:
Base-Base interactions energy: -644.073
where: short stacking energy: -290.903
Base-Backbone interact. energy: -2.876
local terms energy: -340.379447
where:
bonds (distance) C4'-P energy: -65.343
bonds (distance) P-C4' energy: -73.025
flat angles C4'-P-C4' energy: -73.587
flat angles P-C4'-P energy: -50.521
tors. eta vs tors. theta energy: -77.904
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: 40
Temperature: 0.950000
Total energy: -898.672631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.672631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.672631 (E_RNA)
where:
Base-Base interactions energy: -565.266
where: short stacking energy: -266.389
Base-Backbone interact. energy: -1.574
local terms energy: -331.832021
where:
bonds (distance) C4'-P energy: -68.478
bonds (distance) P-C4' energy: -65.515
flat angles C4'-P-C4' energy: -74.813
flat angles P-C4'-P energy: -45.222
tors. eta vs tors. theta energy: -77.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -880.537612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.537612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.537612 (E_RNA)
where:
Base-Base interactions energy: -566.782
where: short stacking energy: -259.499
Base-Backbone interact. energy: -1.839
local terms energy: -311.917451
where:
bonds (distance) C4'-P energy: -56.790
bonds (distance) P-C4' energy: -64.659
flat angles C4'-P-C4' energy: -75.029
flat angles P-C4'-P energy: -45.835
tors. eta vs tors. theta energy: -69.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -785.912021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.912021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.912021 (E_RNA)
where:
Base-Base interactions energy: -493.953
where: short stacking energy: -236.332
Base-Backbone interact. energy: -1.685
local terms energy: -290.274053
where:
bonds (distance) C4'-P energy: -51.222
bonds (distance) P-C4' energy: -63.274
flat angles C4'-P-C4' energy: -64.842
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -68.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -628.797392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.797392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.797392 (E_RNA)
where:
Base-Base interactions energy: -358.271
where: short stacking energy: -189.880
Base-Backbone interact. energy: -1.173
local terms energy: -269.353249
where:
bonds (distance) C4'-P energy: -53.506
bonds (distance) P-C4' energy: -73.080
flat angles C4'-P-C4' energy: -65.960
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -44.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -457.120259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.120259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.120259 (E_RNA)
where:
Base-Base interactions energy: -227.099
where: short stacking energy: -125.067
Base-Backbone interact. energy: -0.531
local terms energy: -229.489629
where:
bonds (distance) C4'-P energy: -54.563
bonds (distance) P-C4' energy: -60.869
flat angles C4'-P-C4' energy: -56.270
flat angles P-C4'-P energy: -32.563
tors. eta vs tors. theta energy: -25.225
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: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -444.247845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.247845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.247845 (E_RNA)
where:
Base-Base interactions energy: -221.279
where: short stacking energy: -139.578
Base-Backbone interact. energy: -2.676
local terms energy: -220.292316
where:
bonds (distance) C4'-P energy: -59.678
bonds (distance) P-C4' energy: -66.445
flat angles C4'-P-C4' energy: -51.676
flat angles P-C4'-P energy: -32.387
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: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -312.819060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.819060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.819060 (E_RNA)
where:
Base-Base interactions energy: -114.578
where: short stacking energy: -90.709
Base-Backbone interact. energy: 1.767
local terms energy: -200.008300
where:
bonds (distance) C4'-P energy: -63.324
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -64.049
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: 7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -297.001409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.001409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.001409 (E_RNA)
where:
Base-Base interactions energy: -116.984
where: short stacking energy: -84.003
Base-Backbone interact. energy: 0.013
local terms energy: -180.030731
where:
bonds (distance) C4'-P energy: -55.448
bonds (distance) P-C4' energy: -57.878
flat angles C4'-P-C4' energy: -53.748
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: 6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -276.693667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.693667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.693667 (E_RNA)
where:
Base-Base interactions energy: -85.080
where: short stacking energy: -59.840
Base-Backbone interact. energy: 0.168
local terms energy: -191.781384
where:
bonds (distance) C4'-P energy: -60.651
bonds (distance) P-C4' energy: -59.376
flat angles C4'-P-C4' energy: -39.862
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -940.694862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.694862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.694862 (E_RNA)
where:
Base-Base interactions energy: -616.163
where: short stacking energy: -275.930
Base-Backbone interact. energy: -2.409
local terms energy: -322.123253
where:
bonds (distance) C4'-P energy: -70.845
bonds (distance) P-C4' energy: -66.623
flat angles C4'-P-C4' energy: -75.648
flat angles P-C4'-P energy: -32.939
tors. eta vs tors. theta energy: -76.068
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: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -947.763492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.763492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.763492 (E_RNA)
where:
Base-Base interactions energy: -608.992
where: short stacking energy: -284.728
Base-Backbone interact. energy: -2.115
local terms energy: -336.656064
where:
bonds (distance) C4'-P energy: -65.094
bonds (distance) P-C4' energy: -68.601
flat angles C4'-P-C4' energy: -74.070
flat angles P-C4'-P energy: -44.724
tors. eta vs tors. theta energy: -84.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -871.055664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.055664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.055664 (E_RNA)
where:
Base-Base interactions energy: -568.082
where: short stacking energy: -241.611
Base-Backbone interact. energy: -4.139
local terms energy: -298.833956
where:
bonds (distance) C4'-P energy: -63.350
bonds (distance) P-C4' energy: -62.970
flat angles C4'-P-C4' energy: -60.887
flat angles P-C4'-P energy: -45.328
tors. eta vs tors. theta energy: -66.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -791.676950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.676950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.676950 (E_RNA)
where:
Base-Base interactions energy: -497.177
where: short stacking energy: -228.204
Base-Backbone interact. energy: -1.950
local terms energy: -292.814220
where:
bonds (distance) C4'-P energy: -62.656
bonds (distance) P-C4' energy: -63.538
flat angles C4'-P-C4' energy: -71.976
flat angles P-C4'-P energy: -31.755
tors. eta vs tors. theta energy: -62.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.264 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -587.414271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.414271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.414271 (E_RNA)
where:
Base-Base interactions energy: -314.523
where: short stacking energy: -181.343
Base-Backbone interact. energy: 1.117
local terms energy: -274.008165
where:
bonds (distance) C4'-P energy: -56.178
bonds (distance) P-C4' energy: -68.306
flat angles C4'-P-C4' energy: -59.602
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -45.580
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: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -484.178052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.178052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.178052 (E_RNA)
where:
Base-Base interactions energy: -267.808
where: short stacking energy: -140.692
Base-Backbone interact. energy: -1.316
local terms energy: -215.053535
where:
bonds (distance) C4'-P energy: -62.830
bonds (distance) P-C4' energy: -60.989
flat angles C4'-P-C4' energy: -43.081
flat angles P-C4'-P energy: -37.981
tors. eta vs tors. theta energy: -10.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -430.035776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.035776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.035776 (E_RNA)
where:
Base-Base interactions energy: -247.869
where: short stacking energy: -122.413
Base-Backbone interact. energy: -0.344
local terms energy: -181.822808
where:
bonds (distance) C4'-P energy: -48.396
bonds (distance) P-C4' energy: -54.534
flat angles C4'-P-C4' energy: -48.622
flat angles P-C4'-P energy: -29.116
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -367.249744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.249744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.249744 (E_RNA)
where:
Base-Base interactions energy: -161.907
where: short stacking energy: -117.696
Base-Backbone interact. energy: -0.701
local terms energy: -204.642004
where:
bonds (distance) C4'-P energy: -59.070
bonds (distance) P-C4' energy: -60.375
flat angles C4'-P-C4' energy: -37.872
flat angles P-C4'-P energy: -32.060
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -284.539695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.539695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.539695 (E_RNA)
where:
Base-Base interactions energy: -111.877
where: short stacking energy: -73.046
Base-Backbone interact. energy: -2.743
local terms energy: -169.920369
where:
bonds (distance) C4'-P energy: -51.989
bonds (distance) P-C4' energy: -58.300
flat angles C4'-P-C4' energy: -39.942
flat angles P-C4'-P energy: -34.511
tors. eta vs tors. theta energy: 14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -257.867268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.867268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.867268 (E_RNA)
where:
Base-Base interactions energy: -81.458
where: short stacking energy: -67.751
Base-Backbone interact. energy: 1.820
local terms energy: -178.229651
where:
bonds (distance) C4'-P energy: -64.105
bonds (distance) P-C4' energy: -65.809
flat angles C4'-P-C4' energy: -41.961
flat angles P-C4'-P energy: -26.725
tors. eta vs tors. theta energy: 20.371
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: 42
Temperature: 0.900000
Total energy: -960.670333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.670333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.670333 (E_RNA)
where:
Base-Base interactions energy: -630.751
where: short stacking energy: -279.000
Base-Backbone interact. energy: -0.129
local terms energy: -329.791276
where:
bonds (distance) C4'-P energy: -62.452
bonds (distance) P-C4' energy: -62.513
flat angles C4'-P-C4' energy: -74.866
flat angles P-C4'-P energy: -48.801
tors. eta vs tors. theta energy: -81.159
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: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -942.723884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.723884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.723884 (E_RNA)
where:
Base-Base interactions energy: -598.972
where: short stacking energy: -277.091
Base-Backbone interact. energy: 0.269
local terms energy: -344.021246
where:
bonds (distance) C4'-P energy: -70.025
bonds (distance) P-C4' energy: -68.593
flat angles C4'-P-C4' energy: -76.656
flat angles P-C4'-P energy: -44.458
tors. eta vs tors. theta energy: -84.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -891.262759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.262759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.262759 (E_RNA)
where:
Base-Base interactions energy: -594.121
where: short stacking energy: -247.304
Base-Backbone interact. energy: 3.616
local terms energy: -300.757668
where:
bonds (distance) C4'-P energy: -55.653
bonds (distance) P-C4' energy: -75.577
flat angles C4'-P-C4' energy: -63.643
flat angles P-C4'-P energy: -44.270
tors. eta vs tors. theta energy: -61.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -812.078661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.078661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.078661 (E_RNA)
where:
Base-Base interactions energy: -539.629
where: short stacking energy: -238.803
Base-Backbone interact. energy: 1.624
local terms energy: -274.074468
where:
bonds (distance) C4'-P energy: -48.235
bonds (distance) P-C4' energy: -63.521
flat angles C4'-P-C4' energy: -61.148
flat angles P-C4'-P energy: -37.711
tors. eta vs tors. theta energy: -63.460
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: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -588.466631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.466631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.466631 (E_RNA)
where:
Base-Base interactions energy: -336.497
where: short stacking energy: -186.406
Base-Backbone interact. energy: -1.244
local terms energy: -250.725660
where:
bonds (distance) C4'-P energy: -56.927
bonds (distance) P-C4' energy: -60.442
flat angles C4'-P-C4' energy: -57.797
flat angles P-C4'-P energy: -38.499
tors. eta vs tors. theta energy: -37.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -551.315236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.315236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.315236 (E_RNA)
where:
Base-Base interactions energy: -302.786
where: short stacking energy: -173.405
Base-Backbone interact. energy: -0.598
local terms energy: -247.930811
where:
bonds (distance) C4'-P energy: -59.450
bonds (distance) P-C4' energy: -65.430
flat angles C4'-P-C4' energy: -55.518
flat angles P-C4'-P energy: -24.476
tors. eta vs tors. theta energy: -43.056
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: 42
Temperature: 1.200000
Total energy: -405.728816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.728816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.728816 (E_RNA)
where:
Base-Base interactions energy: -201.768
where: short stacking energy: -129.414
Base-Backbone interact. energy: 4.103
local terms energy: -208.063105
where:
bonds (distance) C4'-P energy: -53.149
bonds (distance) P-C4' energy: -61.174
flat angles C4'-P-C4' energy: -45.795
flat angles P-C4'-P energy: -34.572
tors. eta vs tors. theta energy: -13.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -315.981112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.981112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.981112 (E_RNA)
where:
Base-Base interactions energy: -117.016
where: short stacking energy: -90.694
Base-Backbone interact. energy: 2.543
local terms energy: -201.737762
where:
bonds (distance) C4'-P energy: -68.465
bonds (distance) P-C4' energy: -58.054
flat angles C4'-P-C4' energy: -46.454
flat angles P-C4'-P energy: -33.967
tors. eta vs tors. theta energy: 5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.229 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -302.060477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.060477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.060477 (E_RNA)
where:
Base-Base interactions energy: -90.390
where: short stacking energy: -84.205
Base-Backbone interact. energy: 0.542
local terms energy: -212.212472
where:
bonds (distance) C4'-P energy: -67.528
bonds (distance) P-C4' energy: -68.269
flat angles C4'-P-C4' energy: -51.960
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: 4.582
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: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -298.010517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.010517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.010517 (E_RNA)
where:
Base-Base interactions energy: -127.766
where: short stacking energy: -79.652
Base-Backbone interact. energy: 0.098
local terms energy: -170.343300
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -57.008
flat angles C4'-P-C4' energy: -44.111
flat angles P-C4'-P energy: -26.187
tors. eta vs tors. theta energy: 5.606
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: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -971.929449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.929449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.929449 (E_RNA)
where:
Base-Base interactions energy: -635.510
where: short stacking energy: -273.111
Base-Backbone interact. energy: 2.423
local terms energy: -338.841912
where:
bonds (distance) C4'-P energy: -67.444
bonds (distance) P-C4' energy: -67.727
flat angles C4'-P-C4' energy: -77.968
flat angles P-C4'-P energy: -51.912
tors. eta vs tors. theta energy: -73.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -930.741051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.741051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.741051 (E_RNA)
where:
Base-Base interactions energy: -608.630
where: short stacking energy: -279.095
Base-Backbone interact. energy: -1.165
local terms energy: -320.946337
where:
bonds (distance) C4'-P energy: -63.577
bonds (distance) P-C4' energy: -58.177
flat angles C4'-P-C4' energy: -72.462
flat angles P-C4'-P energy: -43.222
tors. eta vs tors. theta energy: -83.508
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: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -855.418320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.418320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.418320 (E_RNA)
where:
Base-Base interactions energy: -569.896
where: short stacking energy: -240.050
Base-Backbone interact. energy: -1.413
local terms energy: -284.108701
where:
bonds (distance) C4'-P energy: -62.772
bonds (distance) P-C4' energy: -53.233
flat angles C4'-P-C4' energy: -66.946
flat angles P-C4'-P energy: -47.307
tors. eta vs tors. theta energy: -53.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -837.943821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.943821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.943821 (E_RNA)
where:
Base-Base interactions energy: -541.552
where: short stacking energy: -237.449
Base-Backbone interact. energy: 2.240
local terms energy: -298.631734
where:
bonds (distance) C4'-P energy: -57.540
bonds (distance) P-C4' energy: -64.864
flat angles C4'-P-C4' energy: -66.536
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -69.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -595.678996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.678996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.678996 (E_RNA)
where:
Base-Base interactions energy: -333.314
where: short stacking energy: -189.217
Base-Backbone interact. energy: 0.848
local terms energy: -263.213489
where:
bonds (distance) C4'-P energy: -71.657
bonds (distance) P-C4' energy: -59.222
flat angles C4'-P-C4' energy: -63.123
flat angles P-C4'-P energy: -41.979
tors. eta vs tors. theta energy: -27.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -471.138627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.138627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.138627 (E_RNA)
where:
Base-Base interactions energy: -234.646
where: short stacking energy: -124.630
Base-Backbone interact. energy: -0.826
local terms energy: -235.666720
where:
bonds (distance) C4'-P energy: -55.035
bonds (distance) P-C4' energy: -63.257
flat angles C4'-P-C4' energy: -58.312
flat angles P-C4'-P energy: -47.087
tors. eta vs tors. theta energy: -11.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -504.239233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.239233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.239233 (E_RNA)
where:
Base-Base interactions energy: -285.304
where: short stacking energy: -153.753
Base-Backbone interact. energy: -0.552
local terms energy: -218.382324
where:
bonds (distance) C4'-P energy: -55.315
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -56.284
flat angles P-C4'-P energy: -24.402
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -308.697596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.697596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.697596 (E_RNA)
where:
Base-Base interactions energy: -99.042
where: short stacking energy: -79.231
Base-Backbone interact. energy: 2.745
local terms energy: -212.400935
where:
bonds (distance) C4'-P energy: -59.380
bonds (distance) P-C4' energy: -61.834
flat angles C4'-P-C4' energy: -56.315
flat angles P-C4'-P energy: -32.018
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -294.804388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.804388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.804388 (E_RNA)
where:
Base-Base interactions energy: -100.780
where: short stacking energy: -56.192
Base-Backbone interact. energy: -4.354
local terms energy: -189.670470
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -55.379
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -30.724
tors. eta vs tors. theta energy: 5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -262.156705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.156705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.156705 (E_RNA)
where:
Base-Base interactions energy: -96.931
where: short stacking energy: -65.907
Base-Backbone interact. energy: 0.009
local terms energy: -165.234353
where:
bonds (distance) C4'-P energy: -41.238
bonds (distance) P-C4' energy: -59.323
flat angles C4'-P-C4' energy: -53.770
flat angles P-C4'-P energy: -30.458
tors. eta vs tors. theta energy: 19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -959.262574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.262574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.262574 (E_RNA)
where:
Base-Base interactions energy: -632.402
where: short stacking energy: -258.434
Base-Backbone interact. energy: -1.593
local terms energy: -325.267426
where:
bonds (distance) C4'-P energy: -70.713
bonds (distance) P-C4' energy: -66.105
flat angles C4'-P-C4' energy: -66.004
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: -71.311
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: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -946.545902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.545902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.545902 (E_RNA)
where:
Base-Base interactions energy: -619.153
where: short stacking energy: -274.843
Base-Backbone interact. energy: -0.726
local terms energy: -326.667456
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -71.044
flat angles C4'-P-C4' energy: -77.548
flat angles P-C4'-P energy: -45.188
tors. eta vs tors. theta energy: -75.303
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: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -876.780748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.780748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.780748 (E_RNA)
where:
Base-Base interactions energy: -573.588
where: short stacking energy: -240.644
Base-Backbone interact. energy: -0.025
local terms energy: -303.167880
where:
bonds (distance) C4'-P energy: -53.148
bonds (distance) P-C4' energy: -78.120
flat angles C4'-P-C4' energy: -71.976
flat angles P-C4'-P energy: -35.641
tors. eta vs tors. theta energy: -64.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -831.636355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.636355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.636355 (E_RNA)
where:
Base-Base interactions energy: -544.439
where: short stacking energy: -220.690
Base-Backbone interact. energy: -1.908
local terms energy: -285.289353
where:
bonds (distance) C4'-P energy: -48.399
bonds (distance) P-C4' energy: -70.359
flat angles C4'-P-C4' energy: -69.257
flat angles P-C4'-P energy: -37.339
tors. eta vs tors. theta energy: -59.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -612.374982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.374982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.374982 (E_RNA)
where:
Base-Base interactions energy: -362.162
where: short stacking energy: -180.388
Base-Backbone interact. energy: -0.345
local terms energy: -249.868341
where:
bonds (distance) C4'-P energy: -66.021
bonds (distance) P-C4' energy: -52.191
flat angles C4'-P-C4' energy: -56.971
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -34.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -508.737917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.737917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.737917 (E_RNA)
where:
Base-Base interactions energy: -265.215
where: short stacking energy: -132.667
Base-Backbone interact. energy: -0.147
local terms energy: -243.376160
where:
bonds (distance) C4'-P energy: -63.845
bonds (distance) P-C4' energy: -59.890
flat angles C4'-P-C4' energy: -60.684
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -26.942
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: 44
Temperature: 1.200000
Total energy: -429.652850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.652850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.652850 (E_RNA)
where:
Base-Base interactions energy: -207.382
where: short stacking energy: -115.610
Base-Backbone interact. energy: -1.850
local terms energy: -220.420620
where:
bonds (distance) C4'-P energy: -60.585
bonds (distance) P-C4' energy: -57.536
flat angles C4'-P-C4' energy: -58.529
flat angles P-C4'-P energy: -30.372
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: 8, replica: 3
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -334.287535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.287535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.287535 (E_RNA)
where:
Base-Base interactions energy: -138.828
where: short stacking energy: -79.925
Base-Backbone interact. energy: -0.139
local terms energy: -195.320697
where:
bonds (distance) C4'-P energy: -50.548
bonds (distance) P-C4' energy: -59.871
flat angles C4'-P-C4' energy: -57.600
flat angles P-C4'-P energy: -26.783
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: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -279.398298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.398298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.398298 (E_RNA)
where:
Base-Base interactions energy: -98.662
where: short stacking energy: -93.374
Base-Backbone interact. energy: -0.505
local terms energy: -180.232008
where:
bonds (distance) C4'-P energy: -48.329
bonds (distance) P-C4' energy: -48.963
flat angles C4'-P-C4' energy: -54.415
flat angles P-C4'-P energy: -36.197
tors. eta vs tors. theta energy: 7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -274.659502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.659502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.659502 (E_RNA)
where:
Base-Base interactions energy: -97.195
where: short stacking energy: -67.583
Base-Backbone interact. energy: 2.083
local terms energy: -181.316420
where:
bonds (distance) C4'-P energy: -53.247
bonds (distance) P-C4' energy: -52.341
flat angles C4'-P-C4' energy: -47.953
flat angles P-C4'-P energy: -38.347
tors. eta vs tors. theta energy: 10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.769 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -972.490462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.490462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.490462 (E_RNA)
where:
Base-Base interactions energy: -631.984
where: short stacking energy: -275.668
Base-Backbone interact. energy: -1.403
local terms energy: -339.104278
where:
bonds (distance) C4'-P energy: -67.350
bonds (distance) P-C4' energy: -66.600
flat angles C4'-P-C4' energy: -79.021
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -80.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -920.380124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.380124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.380124 (E_RNA)
where:
Base-Base interactions energy: -607.899
where: short stacking energy: -276.269
Base-Backbone interact. energy: -0.987
local terms energy: -311.494573
where:
bonds (distance) C4'-P energy: -59.978
bonds (distance) P-C4' energy: -56.844
flat angles C4'-P-C4' energy: -77.852
flat angles P-C4'-P energy: -47.550
tors. eta vs tors. theta energy: -69.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -933.641284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.641284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.641284 (E_RNA)
where:
Base-Base interactions energy: -612.521
where: short stacking energy: -269.320
Base-Backbone interact. energy: -0.147
local terms energy: -320.973637
where:
bonds (distance) C4'-P energy: -64.725
bonds (distance) P-C4' energy: -66.355
flat angles C4'-P-C4' energy: -69.439
flat angles P-C4'-P energy: -47.676
tors. eta vs tors. theta energy: -72.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -821.476442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.476442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.476442 (E_RNA)
where:
Base-Base interactions energy: -515.597
where: short stacking energy: -217.110
Base-Backbone interact. energy: -3.063
local terms energy: -302.816078
where:
bonds (distance) C4'-P energy: -70.569
bonds (distance) P-C4' energy: -68.195
flat angles C4'-P-C4' energy: -64.162
flat angles P-C4'-P energy: -47.531
tors. eta vs tors. theta energy: -52.358
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: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -625.882702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.882702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.882702 (E_RNA)
where:
Base-Base interactions energy: -368.465
where: short stacking energy: -194.321
Base-Backbone interact. energy: -0.979
local terms energy: -256.438624
where:
bonds (distance) C4'-P energy: -60.863
bonds (distance) P-C4' energy: -55.088
flat angles C4'-P-C4' energy: -71.327
flat angles P-C4'-P energy: -32.663
tors. eta vs tors. theta energy: -36.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -500.965421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.965421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.965421 (E_RNA)
where:
Base-Base interactions energy: -271.482
where: short stacking energy: -149.346
Base-Backbone interact. energy: -2.382
local terms energy: -227.101507
where:
bonds (distance) C4'-P energy: -53.327
bonds (distance) P-C4' energy: -68.105
flat angles C4'-P-C4' energy: -58.594
flat angles P-C4'-P energy: -27.915
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -400.910447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.910447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.910447 (E_RNA)
where:
Base-Base interactions energy: -195.095
where: short stacking energy: -124.229
Base-Backbone interact. energy: 1.269
local terms energy: -207.084794
where:
bonds (distance) C4'-P energy: -60.608
bonds (distance) P-C4' energy: -59.443
flat angles C4'-P-C4' energy: -51.456
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -332.288749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.288749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.288749 (E_RNA)
where:
Base-Base interactions energy: -146.582
where: short stacking energy: -101.870
Base-Backbone interact. energy: -2.157
local terms energy: -183.550206
where:
bonds (distance) C4'-P energy: -33.802
bonds (distance) P-C4' energy: -59.902
flat angles C4'-P-C4' energy: -45.873
flat angles P-C4'-P energy: -39.601
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -305.561118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.561118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.561118 (E_RNA)
where:
Base-Base interactions energy: -118.315
where: short stacking energy: -98.248
Base-Backbone interact. energy: 1.145
local terms energy: -188.390854
where:
bonds (distance) C4'-P energy: -60.895
bonds (distance) P-C4' energy: -60.497
flat angles C4'-P-C4' energy: -41.052
flat angles P-C4'-P energy: -31.513
tors. eta vs tors. theta energy: 5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -258.301077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.301077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.301077 (E_RNA)
where:
Base-Base interactions energy: -84.942
where: short stacking energy: -74.640
Base-Backbone interact. energy: -1.009
local terms energy: -172.350634
where:
bonds (distance) C4'-P energy: -57.168
bonds (distance) P-C4' energy: -54.653
flat angles C4'-P-C4' energy: -54.705
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: 6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -960.694436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.694436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.694436 (E_RNA)
where:
Base-Base interactions energy: -619.147
where: short stacking energy: -280.228
Base-Backbone interact. energy: -1.072
local terms energy: -340.475000
where:
bonds (distance) C4'-P energy: -71.309
bonds (distance) P-C4' energy: -76.999
flat angles C4'-P-C4' energy: -65.227
flat angles P-C4'-P energy: -41.754
tors. eta vs tors. theta energy: -85.185
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: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -912.937431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.937431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.937431 (E_RNA)
where:
Base-Base interactions energy: -591.560
where: short stacking energy: -263.842
Base-Backbone interact. energy: 1.786
local terms energy: -323.162949
where:
bonds (distance) C4'-P energy: -70.736
bonds (distance) P-C4' energy: -69.242
flat angles C4'-P-C4' energy: -65.824
flat angles P-C4'-P energy: -40.861
tors. eta vs tors. theta energy: -76.499
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: 46
Temperature: 1.000000
Total energy: -916.903197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.903197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.903197 (E_RNA)
where:
Base-Base interactions energy: -615.586
where: short stacking energy: -266.423
Base-Backbone interact. energy: -2.220
local terms energy: -299.096356
where:
bonds (distance) C4'-P energy: -57.860
bonds (distance) P-C4' energy: -65.311
flat angles C4'-P-C4' energy: -68.593
flat angles P-C4'-P energy: -40.918
tors. eta vs tors. theta energy: -66.415
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: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -830.831499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.831499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.831499 (E_RNA)
where:
Base-Base interactions energy: -537.604
where: short stacking energy: -229.895
Base-Backbone interact. energy: -1.362
local terms energy: -291.866090
where:
bonds (distance) C4'-P energy: -61.403
bonds (distance) P-C4' energy: -58.728
flat angles C4'-P-C4' energy: -73.894
flat angles P-C4'-P energy: -41.378
tors. eta vs tors. theta energy: -56.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -660.389067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.389067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.389067 (E_RNA)
where:
Base-Base interactions energy: -390.610
where: short stacking energy: -178.022
Base-Backbone interact. energy: -0.683
local terms energy: -269.095549
where:
bonds (distance) C4'-P energy: -55.719
bonds (distance) P-C4' energy: -64.448
flat angles C4'-P-C4' energy: -70.654
flat angles P-C4'-P energy: -35.646
tors. eta vs tors. theta energy: -42.629
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: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -471.901539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.901539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.901539 (E_RNA)
where:
Base-Base interactions energy: -230.443
where: short stacking energy: -127.229
Base-Backbone interact. energy: -1.346
local terms energy: -240.112722
where:
bonds (distance) C4'-P energy: -57.313
bonds (distance) P-C4' energy: -76.869
flat angles C4'-P-C4' energy: -50.935
flat angles P-C4'-P energy: -37.291
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -399.565013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.565013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.565013 (E_RNA)
where:
Base-Base interactions energy: -186.259
where: short stacking energy: -128.060
Base-Backbone interact. energy: -1.218
local terms energy: -212.088515
where:
bonds (distance) C4'-P energy: -61.599
bonds (distance) P-C4' energy: -58.863
flat angles C4'-P-C4' energy: -45.877
flat angles P-C4'-P energy: -30.826
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: 8, replica: 3
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -306.767382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.767382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.767382 (E_RNA)
where:
Base-Base interactions energy: -117.568
where: short stacking energy: -88.551
Base-Backbone interact. energy: -0.459
local terms energy: -188.740477
where:
bonds (distance) C4'-P energy: -58.279
bonds (distance) P-C4' energy: -49.939
flat angles C4'-P-C4' energy: -50.066
flat angles P-C4'-P energy: -36.242
tors. eta vs tors. theta energy: 5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -313.192177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.192177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.192177 (E_RNA)
where:
Base-Base interactions energy: -128.900
where: short stacking energy: -89.566
Base-Backbone interact. energy: -2.174
local terms energy: -182.118434
where:
bonds (distance) C4'-P energy: -62.383
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -47.269
flat angles P-C4'-P energy: -26.111
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: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -274.948215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.948215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.948215 (E_RNA)
where:
Base-Base interactions energy: -78.789
where: short stacking energy: -67.911
Base-Backbone interact. energy: -1.348
local terms energy: -194.811330
where:
bonds (distance) C4'-P energy: -46.924
bonds (distance) P-C4' energy: -59.824
flat angles C4'-P-C4' energy: -60.102
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -970.740427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.740427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.740427 (E_RNA)
where:
Base-Base interactions energy: -635.696
where: short stacking energy: -300.044
Base-Backbone interact. energy: -1.163
local terms energy: -333.881225
where:
bonds (distance) C4'-P energy: -58.824
bonds (distance) P-C4' energy: -67.859
flat angles C4'-P-C4' energy: -77.269
flat angles P-C4'-P energy: -45.682
tors. eta vs tors. theta energy: -84.248
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: 47
Temperature: 0.950000
Total energy: -913.849263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.849263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.849263 (E_RNA)
where:
Base-Base interactions energy: -608.088
where: short stacking energy: -258.559
Base-Backbone interact. energy: -0.659
local terms energy: -305.101627
where:
bonds (distance) C4'-P energy: -60.987
bonds (distance) P-C4' energy: -64.289
flat angles C4'-P-C4' energy: -72.122
flat angles P-C4'-P energy: -43.792
tors. eta vs tors. theta energy: -63.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -916.351724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.351724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.351724 (E_RNA)
where:
Base-Base interactions energy: -610.659
where: short stacking energy: -267.406
Base-Backbone interact. energy: -0.381
local terms energy: -305.310774
where:
bonds (distance) C4'-P energy: -64.945
bonds (distance) P-C4' energy: -64.225
flat angles C4'-P-C4' energy: -67.850
flat angles P-C4'-P energy: -39.480
tors. eta vs tors. theta energy: -68.810
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: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -785.663660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.663660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.663660 (E_RNA)
where:
Base-Base interactions energy: -503.606
where: short stacking energy: -210.169
Base-Backbone interact. energy: -0.792
local terms energy: -281.265884
where:
bonds (distance) C4'-P energy: -64.969
bonds (distance) P-C4' energy: -62.502
flat angles C4'-P-C4' energy: -67.011
flat angles P-C4'-P energy: -38.135
tors. eta vs tors. theta energy: -48.649
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: 47
Temperature: 1.100000
Total energy: -664.098816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.098816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.098816 (E_RNA)
where:
Base-Base interactions energy: -410.590
where: short stacking energy: -181.597
Base-Backbone interact. energy: -0.751
local terms energy: -252.757975
where:
bonds (distance) C4'-P energy: -57.803
bonds (distance) P-C4' energy: -63.424
flat angles C4'-P-C4' energy: -57.877
flat angles P-C4'-P energy: -33.282
tors. eta vs tors. theta energy: -40.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -485.860414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.860414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.860414 (E_RNA)
where:
Base-Base interactions energy: -260.444
where: short stacking energy: -144.759
Base-Backbone interact. energy: -2.124
local terms energy: -223.292782
where:
bonds (distance) C4'-P energy: -55.781
bonds (distance) P-C4' energy: -65.457
flat angles C4'-P-C4' energy: -49.833
flat angles P-C4'-P energy: -32.442
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -391.399494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.399494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.399494 (E_RNA)
where:
Base-Base interactions energy: -171.395
where: short stacking energy: -109.748
Base-Backbone interact. energy: -1.680
local terms energy: -218.325195
where:
bonds (distance) C4'-P energy: -59.423
bonds (distance) P-C4' energy: -63.286
flat angles C4'-P-C4' energy: -56.739
flat angles P-C4'-P energy: -31.533
tors. eta vs tors. theta energy: -7.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -308.369067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.369067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.369067 (E_RNA)
where:
Base-Base interactions energy: -110.686
where: short stacking energy: -81.555
Base-Backbone interact. energy: 1.416
local terms energy: -199.098727
where:
bonds (distance) C4'-P energy: -50.959
bonds (distance) P-C4' energy: -64.625
flat angles C4'-P-C4' energy: -40.066
flat angles P-C4'-P energy: -36.741
tors. eta vs tors. theta energy: -6.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -280.914931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.914931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.914931 (E_RNA)
where:
Base-Base interactions energy: -93.913
where: short stacking energy: -79.750
Base-Backbone interact. energy: -1.982
local terms energy: -185.020515
where:
bonds (distance) C4'-P energy: -60.695
bonds (distance) P-C4' energy: -61.967
flat angles C4'-P-C4' energy: -50.785
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: 6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -271.332600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.332600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.332600 (E_RNA)
where:
Base-Base interactions energy: -97.668
where: short stacking energy: -79.031
Base-Backbone interact. energy: -0.655
local terms energy: -173.009739
where:
bonds (distance) C4'-P energy: -51.246
bonds (distance) P-C4' energy: -53.578
flat angles C4'-P-C4' energy: -48.885
flat angles P-C4'-P energy: -24.655
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: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -943.587498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.587498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.587498 (E_RNA)
where:
Base-Base interactions energy: -624.386
where: short stacking energy: -281.362
Base-Backbone interact. energy: -0.457
local terms energy: -318.744546
where:
bonds (distance) C4'-P energy: -66.366
bonds (distance) P-C4' energy: -70.084
flat angles C4'-P-C4' energy: -68.107
flat angles P-C4'-P energy: -43.833
tors. eta vs tors. theta energy: -70.353
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: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -947.079590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.079590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.079590 (E_RNA)
where:
Base-Base interactions energy: -604.163
where: short stacking energy: -293.128
Base-Backbone interact. energy: -1.470
local terms energy: -341.446631
where:
bonds (distance) C4'-P energy: -62.676
bonds (distance) P-C4' energy: -61.002
flat angles C4'-P-C4' energy: -77.836
flat angles P-C4'-P energy: -53.650
tors. eta vs tors. theta energy: -86.282
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: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -911.778083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.778083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.778083 (E_RNA)
where:
Base-Base interactions energy: -597.729
where: short stacking energy: -261.510
Base-Backbone interact. energy: -0.633
local terms energy: -313.415948
where:
bonds (distance) C4'-P energy: -59.915
bonds (distance) P-C4' energy: -71.177
flat angles C4'-P-C4' energy: -69.931
flat angles P-C4'-P energy: -38.809
tors. eta vs tors. theta energy: -73.585
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: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -827.996708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.996708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.996708 (E_RNA)
where:
Base-Base interactions energy: -539.175
where: short stacking energy: -214.462
Base-Backbone interact. energy: -3.701
local terms energy: -285.120937
where:
bonds (distance) C4'-P energy: -68.826
bonds (distance) P-C4' energy: -55.902
flat angles C4'-P-C4' energy: -65.137
flat angles P-C4'-P energy: -41.351
tors. eta vs tors. theta energy: -53.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -656.930098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.930098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.930098 (E_RNA)
where:
Base-Base interactions energy: -407.815
where: short stacking energy: -211.891
Base-Backbone interact. energy: 0.279
local terms energy: -249.496818
where:
bonds (distance) C4'-P energy: -46.071
bonds (distance) P-C4' energy: -62.720
flat angles C4'-P-C4' energy: -52.746
flat angles P-C4'-P energy: -47.175
tors. eta vs tors. theta energy: -40.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -493.727410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.727410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.727410 (E_RNA)
where:
Base-Base interactions energy: -265.268
where: short stacking energy: -134.201
Base-Backbone interact. energy: -2.211
local terms energy: -226.248418
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -60.426
flat angles C4'-P-C4' energy: -63.252
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -398.483916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.483916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.483916 (E_RNA)
where:
Base-Base interactions energy: -182.682
where: short stacking energy: -120.683
Base-Backbone interact. energy: -2.010
local terms energy: -213.791721
where:
bonds (distance) C4'-P energy: -60.723
bonds (distance) P-C4' energy: -56.080
flat angles C4'-P-C4' energy: -67.879
flat angles P-C4'-P energy: -28.670
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -324.753887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.753887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.753887 (E_RNA)
where:
Base-Base interactions energy: -106.273
where: short stacking energy: -90.948
Base-Backbone interact. energy: 1.560
local terms energy: -220.041642
where:
bonds (distance) C4'-P energy: -54.640
bonds (distance) P-C4' energy: -62.867
flat angles C4'-P-C4' energy: -58.180
flat angles P-C4'-P energy: -38.033
tors. eta vs tors. theta energy: -6.321
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: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -282.512989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.512989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.512989 (E_RNA)
where:
Base-Base interactions energy: -79.854
where: short stacking energy: -74.920
Base-Backbone interact. energy: 1.635
local terms energy: -204.294277
where:
bonds (distance) C4'-P energy: -65.919
bonds (distance) P-C4' energy: -59.597
flat angles C4'-P-C4' energy: -64.499
flat angles P-C4'-P energy: -31.029
tors. eta vs tors. theta energy: 16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -284.920240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.920240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.920240 (E_RNA)
where:
Base-Base interactions energy: -103.954
where: short stacking energy: -92.295
Base-Backbone interact. energy: -2.716
local terms energy: -178.333178
where:
bonds (distance) C4'-P energy: -46.422
bonds (distance) P-C4' energy: -43.097
flat angles C4'-P-C4' energy: -55.453
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: 2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.083 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -946.395766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.395766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.395766 (E_RNA)
where:
Base-Base interactions energy: -600.894
where: short stacking energy: -286.269
Base-Backbone interact. energy: -0.467
local terms energy: -345.033992
where:
bonds (distance) C4'-P energy: -71.176
bonds (distance) P-C4' energy: -67.645
flat angles C4'-P-C4' energy: -75.088
flat angles P-C4'-P energy: -53.476
tors. eta vs tors. theta energy: -77.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -906.188605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.188605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.188605 (E_RNA)
where:
Base-Base interactions energy: -588.085
where: short stacking energy: -273.234
Base-Backbone interact. energy: -1.537
local terms energy: -316.565842
where:
bonds (distance) C4'-P energy: -66.142
bonds (distance) P-C4' energy: -53.779
flat angles C4'-P-C4' energy: -79.844
flat angles P-C4'-P energy: -43.820
tors. eta vs tors. theta energy: -72.980
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: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -880.976874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.976874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.976874 (E_RNA)
where:
Base-Base interactions energy: -575.349
where: short stacking energy: -241.082
Base-Backbone interact. energy: -1.456
local terms energy: -304.171303
where:
bonds (distance) C4'-P energy: -62.743
bonds (distance) P-C4' energy: -64.614
flat angles C4'-P-C4' energy: -70.850
flat angles P-C4'-P energy: -41.880
tors. eta vs tors. theta energy: -64.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -854.562419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.562419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.562419 (E_RNA)
where:
Base-Base interactions energy: -543.167
where: short stacking energy: -249.797
Base-Backbone interact. energy: -0.553
local terms energy: -310.841725
where:
bonds (distance) C4'-P energy: -69.410
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -61.544
flat angles P-C4'-P energy: -42.659
tors. eta vs tors. theta energy: -70.869
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: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -690.542634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.542634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.542634 (E_RNA)
where:
Base-Base interactions energy: -416.577
where: short stacking energy: -194.575
Base-Backbone interact. energy: 1.742
local terms energy: -275.707311
where:
bonds (distance) C4'-P energy: -62.455
bonds (distance) P-C4' energy: -60.418
flat angles C4'-P-C4' energy: -57.378
flat angles P-C4'-P energy: -48.357
tors. eta vs tors. theta energy: -47.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -481.242531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.242531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.242531 (E_RNA)
where:
Base-Base interactions energy: -254.569
where: short stacking energy: -119.831
Base-Backbone interact. energy: 0.606
local terms energy: -227.278984
where:
bonds (distance) C4'-P energy: -66.542
bonds (distance) P-C4' energy: -73.151
flat angles C4'-P-C4' energy: -52.486
flat angles P-C4'-P energy: -25.667
tors. eta vs tors. theta energy: -9.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -485.064692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.064692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.064692 (E_RNA)
where:
Base-Base interactions energy: -261.186
where: short stacking energy: -136.241
Base-Backbone interact. energy: -0.727
local terms energy: -223.152133
where:
bonds (distance) C4'-P energy: -62.718
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -54.218
flat angles P-C4'-P energy: -29.363
tors. eta vs tors. theta energy: -22.187
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: 49
Temperature: 1.250000
Total energy: -322.231034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.231034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.231034 (E_RNA)
where:
Base-Base interactions energy: -116.586
where: short stacking energy: -89.768
Base-Backbone interact. energy: 1.717
local terms energy: -207.361405
where:
bonds (distance) C4'-P energy: -55.340
bonds (distance) P-C4' energy: -64.761
flat angles C4'-P-C4' energy: -49.964
flat angles P-C4'-P energy: -32.679
tors. eta vs tors. theta energy: -4.618
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: 2
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -309.359195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.359195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.359195 (E_RNA)
where:
Base-Base interactions energy: -113.416
where: short stacking energy: -89.577
Base-Backbone interact. energy: -0.088
local terms energy: -195.854379
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -70.563
flat angles C4'-P-C4' energy: -47.831
flat angles P-C4'-P energy: -26.687
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -272.988294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.988294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.988294 (E_RNA)
where:
Base-Base interactions energy: -96.642
where: short stacking energy: -73.956
Base-Backbone interact. energy: -1.737
local terms energy: -174.609866
where:
bonds (distance) C4'-P energy: -54.818
bonds (distance) P-C4' energy: -51.759
flat angles C4'-P-C4' energy: -44.848
flat angles P-C4'-P energy: -26.272
tors. eta vs tors. theta energy: 3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -936.191026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.191026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.191026 (E_RNA)
where:
Base-Base interactions energy: -603.525
where: short stacking energy: -266.068
Base-Backbone interact. energy: -0.664
local terms energy: -332.001847
where:
bonds (distance) C4'-P energy: -74.601
bonds (distance) P-C4' energy: -69.406
flat angles C4'-P-C4' energy: -58.783
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -79.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -942.783348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.783348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.783348 (E_RNA)
where:
Base-Base interactions energy: -618.558
where: short stacking energy: -270.329
Base-Backbone interact. energy: -0.776
local terms energy: -323.449890
where:
bonds (distance) C4'-P energy: -68.272
bonds (distance) P-C4' energy: -63.135
flat angles C4'-P-C4' energy: -71.509
flat angles P-C4'-P energy: -37.723
tors. eta vs tors. theta energy: -82.812
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: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -844.463891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.463891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.463891 (E_RNA)
where:
Base-Base interactions energy: -533.336
where: short stacking energy: -235.668
Base-Backbone interact. energy: -0.442
local terms energy: -310.685084
where:
bonds (distance) C4'-P energy: -61.168
bonds (distance) P-C4' energy: -67.295
flat angles C4'-P-C4' energy: -71.793
flat angles P-C4'-P energy: -47.268
tors. eta vs tors. theta energy: -63.161
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: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -864.719627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.719627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.719627 (E_RNA)
where:
Base-Base interactions energy: -560.582
where: short stacking energy: -232.357
Base-Backbone interact. energy: -1.230
local terms energy: -302.907719
where:
bonds (distance) C4'-P energy: -65.636
bonds (distance) P-C4' energy: -70.935
flat angles C4'-P-C4' energy: -65.823
flat angles P-C4'-P energy: -38.078
tors. eta vs tors. theta energy: -62.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -661.423257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.423257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.423257 (E_RNA)
where:
Base-Base interactions energy: -397.095
where: short stacking energy: -202.269
Base-Backbone interact. energy: -1.394
local terms energy: -262.933471
where:
bonds (distance) C4'-P energy: -60.528
bonds (distance) P-C4' energy: -59.063
flat angles C4'-P-C4' energy: -60.823
flat angles P-C4'-P energy: -38.898
tors. eta vs tors. theta energy: -43.622
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: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -501.985575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.985575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.985575 (E_RNA)
where:
Base-Base interactions energy: -275.412
where: short stacking energy: -156.758
Base-Backbone interact. energy: -2.706
local terms energy: -223.867947
where:
bonds (distance) C4'-P energy: -57.050
bonds (distance) P-C4' energy: -61.951
flat angles C4'-P-C4' energy: -52.731
flat angles P-C4'-P energy: -23.127
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -454.737608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.737608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.737608 (E_RNA)
where:
Base-Base interactions energy: -241.291
where: short stacking energy: -132.744
Base-Backbone interact. energy: 2.299
local terms energy: -215.746117
where:
bonds (distance) C4'-P energy: -55.176
bonds (distance) P-C4' energy: -67.541
flat angles C4'-P-C4' energy: -60.005
flat angles P-C4'-P energy: -18.875
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: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -300.336100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.336100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.336100 (E_RNA)
where:
Base-Base interactions energy: -90.404
where: short stacking energy: -87.553
Base-Backbone interact. energy: 1.100
local terms energy: -211.032883
where:
bonds (distance) C4'-P energy: -65.068
bonds (distance) P-C4' energy: -58.073
flat angles C4'-P-C4' energy: -58.863
flat angles P-C4'-P energy: -34.690
tors. eta vs tors. theta energy: 5.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -326.237164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.237164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.237164 (E_RNA)
where:
Base-Base interactions energy: -134.558
where: short stacking energy: -90.393
Base-Backbone interact. energy: -1.488
local terms energy: -190.190927
where:
bonds (distance) C4'-P energy: -62.096
bonds (distance) P-C4' energy: -55.160
flat angles C4'-P-C4' energy: -54.365
flat angles P-C4'-P energy: -28.737
tors. eta vs tors. theta energy: 10.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -257.659412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.659412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.659412 (E_RNA)
where:
Base-Base interactions energy: -85.450
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.520
local terms energy: -171.689197
where:
bonds (distance) C4'-P energy: -62.777
bonds (distance) P-C4' energy: -65.303
flat angles C4'-P-C4' energy: -34.893
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: 6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -959.888310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.888310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.888310 (E_RNA)
where:
Base-Base interactions energy: -622.789
where: short stacking energy: -272.541
Base-Backbone interact. energy: -0.702
local terms energy: -336.396776
where:
bonds (distance) C4'-P energy: -63.561
bonds (distance) P-C4' energy: -62.719
flat angles C4'-P-C4' energy: -67.497
flat angles P-C4'-P energy: -61.449
tors. eta vs tors. theta energy: -81.172
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: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -912.297192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.297192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.297192 (E_RNA)
where:
Base-Base interactions energy: -609.839
where: short stacking energy: -255.002
Base-Backbone interact. energy: -2.071
local terms energy: -300.386846
where:
bonds (distance) C4'-P energy: -67.009
bonds (distance) P-C4' energy: -60.815
flat angles C4'-P-C4' energy: -62.333
flat angles P-C4'-P energy: -40.710
tors. eta vs tors. theta energy: -69.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -926.358783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.358783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.358783 (E_RNA)
where:
Base-Base interactions energy: -615.855
where: short stacking energy: -263.515
Base-Backbone interact. energy: 0.573
local terms energy: -311.076400
where:
bonds (distance) C4'-P energy: -61.346
bonds (distance) P-C4' energy: -59.759
flat angles C4'-P-C4' energy: -69.513
flat angles P-C4'-P energy: -43.969
tors. eta vs tors. theta energy: -76.491
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: 51
Temperature: 1.050000
Total energy: -891.099483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.099483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.099483 (E_RNA)
where:
Base-Base interactions energy: -583.013
where: short stacking energy: -235.607
Base-Backbone interact. energy: -1.458
local terms energy: -306.628208
where:
bonds (distance) C4'-P energy: -54.365
bonds (distance) P-C4' energy: -64.848
flat angles C4'-P-C4' energy: -72.783
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -72.057
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: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -710.870251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.870251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.870251 (E_RNA)
where:
Base-Base interactions energy: -421.762
where: short stacking energy: -212.386
Base-Backbone interact. energy: -0.946
local terms energy: -288.162710
where:
bonds (distance) C4'-P energy: -63.490
bonds (distance) P-C4' energy: -70.742
flat angles C4'-P-C4' energy: -60.829
flat angles P-C4'-P energy: -40.450
tors. eta vs tors. theta energy: -52.651
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: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -491.528124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.528124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.528124 (E_RNA)
where:
Base-Base interactions energy: -274.123
where: short stacking energy: -174.128
Base-Backbone interact. energy: -1.202
local terms energy: -216.202832
where:
bonds (distance) C4'-P energy: -56.116
bonds (distance) P-C4' energy: -48.989
flat angles C4'-P-C4' energy: -54.087
flat angles P-C4'-P energy: -24.661
tors. eta vs tors. theta energy: -32.350
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: 10
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -492.796698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.796698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.796698 (E_RNA)
where:
Base-Base interactions energy: -271.837
where: short stacking energy: -130.108
Base-Backbone interact. energy: -0.491
local terms energy: -220.469374
where:
bonds (distance) C4'-P energy: -59.010
bonds (distance) P-C4' energy: -69.015
flat angles C4'-P-C4' energy: -57.199
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -402.225727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.225727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.225727 (E_RNA)
where:
Base-Base interactions energy: -175.389
where: short stacking energy: -109.972
Base-Backbone interact. energy: -0.822
local terms energy: -226.014427
where:
bonds (distance) C4'-P energy: -63.898
bonds (distance) P-C4' energy: -59.818
flat angles C4'-P-C4' energy: -55.930
flat angles P-C4'-P energy: -41.399
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: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -284.659693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.659693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.659693 (E_RNA)
where:
Base-Base interactions energy: -92.395
where: short stacking energy: -66.106
Base-Backbone interact. energy: -1.259
local terms energy: -191.005777
where:
bonds (distance) C4'-P energy: -52.749
bonds (distance) P-C4' energy: -58.266
flat angles C4'-P-C4' energy: -45.124
flat angles P-C4'-P energy: -36.080
tors. eta vs tors. theta energy: 1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -278.149831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.149831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.149831 (E_RNA)
where:
Base-Base interactions energy: -101.009
where: short stacking energy: -80.330
Base-Backbone interact. energy: -0.635
local terms energy: -176.506086
where:
bonds (distance) C4'-P energy: -54.707
bonds (distance) P-C4' energy: -49.736
flat angles C4'-P-C4' energy: -44.792
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: 5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -981.687048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.687048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.687048 (E_RNA)
where:
Base-Base interactions energy: -640.693
where: short stacking energy: -296.337
Base-Backbone interact. energy: -1.211
local terms energy: -339.783852
where:
bonds (distance) C4'-P energy: -63.571
bonds (distance) P-C4' energy: -71.471
flat angles C4'-P-C4' energy: -69.772
flat angles P-C4'-P energy: -52.141
tors. eta vs tors. theta energy: -82.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -907.609161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.609161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.609161 (E_RNA)
where:
Base-Base interactions energy: -605.499
where: short stacking energy: -258.973
Base-Backbone interact. energy: -1.724
local terms energy: -300.385902
where:
bonds (distance) C4'-P energy: -57.965
bonds (distance) P-C4' energy: -62.332
flat angles C4'-P-C4' energy: -64.320
flat angles P-C4'-P energy: -36.893
tors. eta vs tors. theta energy: -78.877
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: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -920.250491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.250491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.250491 (E_RNA)
where:
Base-Base interactions energy: -591.985
where: short stacking energy: -273.442
Base-Backbone interact. energy: -1.473
local terms energy: -326.793347
where:
bonds (distance) C4'-P energy: -59.751
bonds (distance) P-C4' energy: -71.027
flat angles C4'-P-C4' energy: -70.093
flat angles P-C4'-P energy: -52.611
tors. eta vs tors. theta energy: -73.311
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: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -871.413601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.413601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.413601 (E_RNA)
where:
Base-Base interactions energy: -589.850
where: short stacking energy: -253.996
Base-Backbone interact. energy: -3.232
local terms energy: -278.331310
where:
bonds (distance) C4'-P energy: -54.602
bonds (distance) P-C4' energy: -57.809
flat angles C4'-P-C4' energy: -64.845
flat angles P-C4'-P energy: -39.218
tors. eta vs tors. theta energy: -61.858
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: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -662.228239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.228239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.228239 (E_RNA)
where:
Base-Base interactions energy: -418.685
where: short stacking energy: -200.729
Base-Backbone interact. energy: -2.475
local terms energy: -241.067882
where:
bonds (distance) C4'-P energy: -60.734
bonds (distance) P-C4' energy: -65.866
flat angles C4'-P-C4' energy: -46.673
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -37.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -496.068108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.068108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.068108 (E_RNA)
where:
Base-Base interactions energy: -266.312
where: short stacking energy: -145.158
Base-Backbone interact. energy: -0.588
local terms energy: -229.167592
where:
bonds (distance) C4'-P energy: -58.771
bonds (distance) P-C4' energy: -61.616
flat angles C4'-P-C4' energy: -61.108
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -450.084451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.084451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.084451 (E_RNA)
where:
Base-Base interactions energy: -225.244
where: short stacking energy: -125.091
Base-Backbone interact. energy: 0.165
local terms energy: -227.118938
where:
bonds (distance) C4'-P energy: -54.992
bonds (distance) P-C4' energy: -59.860
flat angles C4'-P-C4' energy: -61.650
flat angles P-C4'-P energy: -37.076
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.114 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -362.791618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.791618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.791618 (E_RNA)
where:
Base-Base interactions energy: -161.199
where: short stacking energy: -83.488
Base-Backbone interact. energy: -0.997
local terms energy: -200.595518
where:
bonds (distance) C4'-P energy: -58.330
bonds (distance) P-C4' energy: -63.193
flat angles C4'-P-C4' energy: -55.086
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: 8.741
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: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -314.066951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.066951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.066951 (E_RNA)
where:
Base-Base interactions energy: -114.930
where: short stacking energy: -101.924
Base-Backbone interact. energy: -2.132
local terms energy: -197.005258
where:
bonds (distance) C4'-P energy: -58.615
bonds (distance) P-C4' energy: -59.803
flat angles C4'-P-C4' energy: -47.489
flat angles P-C4'-P energy: -26.585
tors. eta vs tors. theta energy: -4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -264.840858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.840858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.840858 (E_RNA)
where:
Base-Base interactions energy: -82.676
where: short stacking energy: -68.451
Base-Backbone interact. energy: -1.873
local terms energy: -180.291504
where:
bonds (distance) C4'-P energy: -62.641
bonds (distance) P-C4' energy: -52.772
flat angles C4'-P-C4' energy: -47.773
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: 12.166
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: 53
Temperature: 0.900000
Total energy: -1002.458685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.458685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.458685 (E_RNA)
where:
Base-Base interactions energy: -661.865
where: short stacking energy: -289.027
Base-Backbone interact. energy: -0.377
local terms energy: -340.216748
where:
bonds (distance) C4'-P energy: -74.756
bonds (distance) P-C4' energy: -67.766
flat angles C4'-P-C4' energy: -69.874
flat angles P-C4'-P energy: -41.939
tors. eta vs tors. theta energy: -85.881
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: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -964.250799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.250799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.250799 (E_RNA)
where:
Base-Base interactions energy: -641.158
where: short stacking energy: -276.649
Base-Backbone interact. energy: 0.702
local terms energy: -323.795479
where:
bonds (distance) C4'-P energy: -60.136
bonds (distance) P-C4' energy: -68.538
flat angles C4'-P-C4' energy: -69.698
flat angles P-C4'-P energy: -44.201
tors. eta vs tors. theta energy: -81.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -886.792038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.792038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.792038 (E_RNA)
where:
Base-Base interactions energy: -590.079
where: short stacking energy: -241.018
Base-Backbone interact. energy: 1.340
local terms energy: -298.052998
where:
bonds (distance) C4'-P energy: -60.219
bonds (distance) P-C4' energy: -65.693
flat angles C4'-P-C4' energy: -63.638
flat angles P-C4'-P energy: -43.034
tors. eta vs tors. theta energy: -65.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -808.553361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.553361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.553361 (E_RNA)
where:
Base-Base interactions energy: -528.590
where: short stacking energy: -235.533
Base-Backbone interact. energy: -1.399
local terms energy: -278.563830
where:
bonds (distance) C4'-P energy: -53.393
bonds (distance) P-C4' energy: -59.986
flat angles C4'-P-C4' energy: -65.379
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: -59.601
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: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -710.163243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.163243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.163243 (E_RNA)
where:
Base-Base interactions energy: -429.440
where: short stacking energy: -199.028
Base-Backbone interact. energy: 1.035
local terms energy: -281.759104
where:
bonds (distance) C4'-P energy: -70.419
bonds (distance) P-C4' energy: -56.557
flat angles C4'-P-C4' energy: -65.043
flat angles P-C4'-P energy: -45.814
tors. eta vs tors. theta energy: -43.926
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: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -565.098077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.098077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.098077 (E_RNA)
where:
Base-Base interactions energy: -335.369
where: short stacking energy: -145.066
Base-Backbone interact. energy: -1.304
local terms energy: -228.424638
where:
bonds (distance) C4'-P energy: -50.089
bonds (distance) P-C4' energy: -58.260
flat angles C4'-P-C4' energy: -65.599
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -28.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -426.223844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.223844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.223844 (E_RNA)
where:
Base-Base interactions energy: -237.302
where: short stacking energy: -123.236
Base-Backbone interact. energy: 1.665
local terms energy: -190.586361
where:
bonds (distance) C4'-P energy: -44.571
bonds (distance) P-C4' energy: -54.509
flat angles C4'-P-C4' energy: -56.728
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -10.710
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: 2
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -344.870544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.870544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.870544 (E_RNA)
where:
Base-Base interactions energy: -151.733
where: short stacking energy: -93.952
Base-Backbone interact. energy: -0.517
local terms energy: -192.620515
where:
bonds (distance) C4'-P energy: -49.804
bonds (distance) P-C4' energy: -59.826
flat angles C4'-P-C4' energy: -59.535
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: 0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -275.079771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.079771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.079771 (E_RNA)
where:
Base-Base interactions energy: -100.684
where: short stacking energy: -84.679
Base-Backbone interact. energy: 1.299
local terms energy: -175.695278
where:
bonds (distance) C4'-P energy: -47.774
bonds (distance) P-C4' energy: -58.672
flat angles C4'-P-C4' energy: -50.899
flat angles P-C4'-P energy: -26.994
tors. eta vs tors. theta energy: 8.644
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: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -269.358036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.358036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.358036 (E_RNA)
where:
Base-Base interactions energy: -93.136
where: short stacking energy: -76.716
Base-Backbone interact. energy: -1.275
local terms energy: -174.946926
where:
bonds (distance) C4'-P energy: -49.967
bonds (distance) P-C4' energy: -56.008
flat angles C4'-P-C4' energy: -58.956
flat angles P-C4'-P energy: -24.062
tors. eta vs tors. theta energy: 14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1002.262343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.262343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.262343 (E_RNA)
where:
Base-Base interactions energy: -654.656
where: short stacking energy: -284.912
Base-Backbone interact. energy: -0.897
local terms energy: -346.709433
where:
bonds (distance) C4'-P energy: -61.409
bonds (distance) P-C4' energy: -75.001
flat angles C4'-P-C4' energy: -71.419
flat angles P-C4'-P energy: -50.615
tors. eta vs tors. theta energy: -88.265
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: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -923.740361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.740361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.740361 (E_RNA)
where:
Base-Base interactions energy: -608.284
where: short stacking energy: -266.143
Base-Backbone interact. energy: -0.311
local terms energy: -315.144946
where:
bonds (distance) C4'-P energy: -62.431
bonds (distance) P-C4' energy: -73.382
flat angles C4'-P-C4' energy: -63.725
flat angles P-C4'-P energy: -47.286
tors. eta vs tors. theta energy: -68.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -902.211988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.211988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.211988 (E_RNA)
where:
Base-Base interactions energy: -586.121
where: short stacking energy: -245.516
Base-Backbone interact. energy: -2.482
local terms energy: -313.608673
where:
bonds (distance) C4'-P energy: -64.471
bonds (distance) P-C4' energy: -72.759
flat angles C4'-P-C4' energy: -71.760
flat angles P-C4'-P energy: -48.949
tors. eta vs tors. theta energy: -55.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -825.606742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.606742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.606742 (E_RNA)
where:
Base-Base interactions energy: -537.400
where: short stacking energy: -246.326
Base-Backbone interact. energy: 0.835
local terms energy: -289.041672
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -69.302
flat angles C4'-P-C4' energy: -72.139
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -67.025
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: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -681.314152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.314152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.314152 (E_RNA)
where:
Base-Base interactions energy: -391.556
where: short stacking energy: -210.049
Base-Backbone interact. energy: -0.323
local terms energy: -289.435408
where:
bonds (distance) C4'-P energy: -48.552
bonds (distance) P-C4' energy: -68.682
flat angles C4'-P-C4' energy: -69.281
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -63.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -568.770882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.770882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.770882 (E_RNA)
where:
Base-Base interactions energy: -326.600
where: short stacking energy: -146.669
Base-Backbone interact. energy: -1.899
local terms energy: -240.271680
where:
bonds (distance) C4'-P energy: -55.817
bonds (distance) P-C4' energy: -64.518
flat angles C4'-P-C4' energy: -50.747
flat angles P-C4'-P energy: -40.530
tors. eta vs tors. theta energy: -28.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -440.433422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.433422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.433422 (E_RNA)
where:
Base-Base interactions energy: -226.470
where: short stacking energy: -132.338
Base-Backbone interact. energy: -0.157
local terms energy: -213.805811
where:
bonds (distance) C4'-P energy: -62.509
bonds (distance) P-C4' energy: -63.956
flat angles C4'-P-C4' energy: -49.545
flat angles P-C4'-P energy: -28.299
tors. eta vs tors. theta energy: -9.497
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: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -458.865682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.865682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.865682 (E_RNA)
where:
Base-Base interactions energy: -239.917
where: short stacking energy: -121.390
Base-Backbone interact. energy: 2.318
local terms energy: -221.265883
where:
bonds (distance) C4'-P energy: -53.993
bonds (distance) P-C4' energy: -64.369
flat angles C4'-P-C4' energy: -59.292
flat angles P-C4'-P energy: -29.429
tors. eta vs tors. theta energy: -14.184
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: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -273.871996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.871996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.871996 (E_RNA)
where:
Base-Base interactions energy: -100.751
where: short stacking energy: -74.247
Base-Backbone interact. energy: -1.477
local terms energy: -171.643333
where:
bonds (distance) C4'-P energy: -48.641
bonds (distance) P-C4' energy: -69.182
flat angles C4'-P-C4' energy: -43.139
flat angles P-C4'-P energy: -29.350
tors. eta vs tors. theta energy: 18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -258.021028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.021028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.021028 (E_RNA)
where:
Base-Base interactions energy: -82.694
where: short stacking energy: -74.012
Base-Backbone interact. energy: -1.196
local terms energy: -174.131239
where:
bonds (distance) C4'-P energy: -60.923
bonds (distance) P-C4' energy: -55.549
flat angles C4'-P-C4' energy: -45.858
flat angles P-C4'-P energy: -35.731
tors. eta vs tors. theta energy: 23.929
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: 55
Temperature: 0.900000
Total energy: -999.714740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.714740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.714740 (E_RNA)
where:
Base-Base interactions energy: -663.739
where: short stacking energy: -287.899
Base-Backbone interact. energy: -0.584
local terms energy: -335.392434
where:
bonds (distance) C4'-P energy: -69.427
bonds (distance) P-C4' energy: -71.994
flat angles C4'-P-C4' energy: -76.454
flat angles P-C4'-P energy: -48.445
tors. eta vs tors. theta energy: -69.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -943.297819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.297819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.297819 (E_RNA)
where:
Base-Base interactions energy: -616.005
where: short stacking energy: -281.790
Base-Backbone interact. energy: -1.016
local terms energy: -326.277123
where:
bonds (distance) C4'-P energy: -62.630
bonds (distance) P-C4' energy: -68.569
flat angles C4'-P-C4' energy: -71.872
flat angles P-C4'-P energy: -47.168
tors. eta vs tors. theta energy: -76.038
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: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -876.657406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.657406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.657406 (E_RNA)
where:
Base-Base interactions energy: -575.165
where: short stacking energy: -233.843
Base-Backbone interact. energy: -0.785
local terms energy: -300.707323
where:
bonds (distance) C4'-P energy: -59.026
bonds (distance) P-C4' energy: -66.198
flat angles C4'-P-C4' energy: -60.344
flat angles P-C4'-P energy: -54.655
tors. eta vs tors. theta energy: -60.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -831.833655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.833655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.833655 (E_RNA)
where:
Base-Base interactions energy: -532.821
where: short stacking energy: -242.924
Base-Backbone interact. energy: -1.002
local terms energy: -298.010669
where:
bonds (distance) C4'-P energy: -63.260
bonds (distance) P-C4' energy: -69.113
flat angles C4'-P-C4' energy: -54.720
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: -65.063
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: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -677.700849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.700849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.700849 (E_RNA)
where:
Base-Base interactions energy: -401.033
where: short stacking energy: -208.623
Base-Backbone interact. energy: -1.267
local terms energy: -275.400969
where:
bonds (distance) C4'-P energy: -66.231
bonds (distance) P-C4' energy: -50.047
flat angles C4'-P-C4' energy: -73.694
flat angles P-C4'-P energy: -33.189
tors. eta vs tors. theta energy: -52.241
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: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -580.641348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.641348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.641348 (E_RNA)
where:
Base-Base interactions energy: -322.639
where: short stacking energy: -166.965
Base-Backbone interact. energy: -0.896
local terms energy: -257.106171
where:
bonds (distance) C4'-P energy: -63.929
bonds (distance) P-C4' energy: -71.749
flat angles C4'-P-C4' energy: -54.886
flat angles P-C4'-P energy: -27.565
tors. eta vs tors. theta energy: -38.977
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: 55
Temperature: 1.200000
Total energy: -457.331434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.331434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.331434 (E_RNA)
where:
Base-Base interactions energy: -235.582
where: short stacking energy: -137.520
Base-Backbone interact. energy: -0.165
local terms energy: -221.584827
where:
bonds (distance) C4'-P energy: -49.098
bonds (distance) P-C4' energy: -67.962
flat angles C4'-P-C4' energy: -54.853
flat angles P-C4'-P energy: -27.617
tors. eta vs tors. theta energy: -22.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -421.757390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.757390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.757390 (E_RNA)
where:
Base-Base interactions energy: -220.706
where: short stacking energy: -136.151
Base-Backbone interact. energy: 4.103
local terms energy: -205.154521
where:
bonds (distance) C4'-P energy: -53.766
bonds (distance) P-C4' energy: -66.582
flat angles C4'-P-C4' energy: -44.572
flat angles P-C4'-P energy: -23.042
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -294.397075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.397075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.397075 (E_RNA)
where:
Base-Base interactions energy: -109.734
where: short stacking energy: -95.692
Base-Backbone interact. energy: 0.942
local terms energy: -185.605646
where:
bonds (distance) C4'-P energy: -58.084
bonds (distance) P-C4' energy: -47.145
flat angles C4'-P-C4' energy: -47.248
flat angles P-C4'-P energy: -36.778
tors. eta vs tors. theta energy: 3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -278.403127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.403127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.403127 (E_RNA)
where:
Base-Base interactions energy: -106.926
where: short stacking energy: -83.757
Base-Backbone interact. energy: -1.003
local terms energy: -170.474038
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -55.121
flat angles C4'-P-C4' energy: -52.762
flat angles P-C4'-P energy: -24.643
tors. eta vs tors. theta energy: 17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1016.827138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.827138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.827138 (E_RNA)
where:
Base-Base interactions energy: -682.473
where: short stacking energy: -290.650
Base-Backbone interact. energy: -1.324
local terms energy: -333.029492
where:
bonds (distance) C4'-P energy: -69.405
bonds (distance) P-C4' energy: -69.305
flat angles C4'-P-C4' energy: -65.744
flat angles P-C4'-P energy: -45.509
tors. eta vs tors. theta energy: -83.066
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: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -935.444280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.444280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.444280 (E_RNA)
where:
Base-Base interactions energy: -608.008
where: short stacking energy: -275.246
Base-Backbone interact. energy: -3.320
local terms energy: -324.115889
where:
bonds (distance) C4'-P energy: -69.572
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -71.237
flat angles P-C4'-P energy: -49.406
tors. eta vs tors. theta energy: -79.591
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: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -856.233447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.233447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.233447 (E_RNA)
where:
Base-Base interactions energy: -574.297
where: short stacking energy: -236.979
Base-Backbone interact. energy: -1.371
local terms energy: -280.565372
where:
bonds (distance) C4'-P energy: -64.682
bonds (distance) P-C4' energy: -60.440
flat angles C4'-P-C4' energy: -58.510
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -57.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -844.503365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.503365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.503365 (E_RNA)
where:
Base-Base interactions energy: -544.765
where: short stacking energy: -250.720
Base-Backbone interact. energy: -0.375
local terms energy: -299.363634
where:
bonds (distance) C4'-P energy: -61.542
bonds (distance) P-C4' energy: -71.334
flat angles C4'-P-C4' energy: -63.734
flat angles P-C4'-P energy: -36.146
tors. eta vs tors. theta energy: -66.609
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: 56
Temperature: 1.100000
Total energy: -712.794232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.794232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.794232 (E_RNA)
where:
Base-Base interactions energy: -427.382
where: short stacking energy: -214.826
Base-Backbone interact. energy: -0.699
local terms energy: -284.713558
where:
bonds (distance) C4'-P energy: -57.750
bonds (distance) P-C4' energy: -67.172
flat angles C4'-P-C4' energy: -63.000
flat angles P-C4'-P energy: -42.540
tors. eta vs tors. theta energy: -54.252
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: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -564.829241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.829241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.829241 (E_RNA)
where:
Base-Base interactions energy: -325.054
where: short stacking energy: -153.904
Base-Backbone interact. energy: -1.190
local terms energy: -238.586002
where:
bonds (distance) C4'-P energy: -51.040
bonds (distance) P-C4' energy: -67.083
flat angles C4'-P-C4' energy: -45.480
flat angles P-C4'-P energy: -36.299
tors. eta vs tors. theta energy: -38.684
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: 7, replica: 2
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -456.586409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.586409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.586409 (E_RNA)
where:
Base-Base interactions energy: -239.190
where: short stacking energy: -133.930
Base-Backbone interact. energy: 0.080
local terms energy: -217.476242
where:
bonds (distance) C4'-P energy: -54.943
bonds (distance) P-C4' energy: -68.173
flat angles C4'-P-C4' energy: -45.958
flat angles P-C4'-P energy: -33.986
tors. eta vs tors. theta energy: -14.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -477.963185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.963185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.963185 (E_RNA)
where:
Base-Base interactions energy: -244.804
where: short stacking energy: -136.018
Base-Backbone interact. energy: 0.350
local terms energy: -233.508734
where:
bonds (distance) C4'-P energy: -62.561
bonds (distance) P-C4' energy: -62.121
flat angles C4'-P-C4' energy: -62.445
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -317.286980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.286980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.286980 (E_RNA)
where:
Base-Base interactions energy: -122.815
where: short stacking energy: -91.097
Base-Backbone interact. energy: 3.239
local terms energy: -197.711210
where:
bonds (distance) C4'-P energy: -56.608
bonds (distance) P-C4' energy: -53.838
flat angles C4'-P-C4' energy: -51.501
flat angles P-C4'-P energy: -37.248
tors. eta vs tors. theta energy: 1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -263.937307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.937307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.937307 (E_RNA)
where:
Base-Base interactions energy: -74.220
where: short stacking energy: -51.851
Base-Backbone interact. energy: 0.752
local terms energy: -190.469947
where:
bonds (distance) C4'-P energy: -53.985
bonds (distance) P-C4' energy: -63.860
flat angles C4'-P-C4' energy: -44.324
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: 2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -987.717643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.717643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.717643 (E_RNA)
where:
Base-Base interactions energy: -662.157
where: short stacking energy: -271.220
Base-Backbone interact. energy: -0.972
local terms energy: -324.588403
where:
bonds (distance) C4'-P energy: -61.107
bonds (distance) P-C4' energy: -72.430
flat angles C4'-P-C4' energy: -66.383
flat angles P-C4'-P energy: -50.104
tors. eta vs tors. theta energy: -74.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -964.469883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.469883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.469883 (E_RNA)
where:
Base-Base interactions energy: -622.703
where: short stacking energy: -287.977
Base-Backbone interact. energy: -1.564
local terms energy: -340.203246
where:
bonds (distance) C4'-P energy: -72.821
bonds (distance) P-C4' energy: -67.904
flat angles C4'-P-C4' energy: -66.090
flat angles P-C4'-P energy: -45.270
tors. eta vs tors. theta energy: -88.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -906.210405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.210405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.210405 (E_RNA)
where:
Base-Base interactions energy: -579.632
where: short stacking energy: -249.678
Base-Backbone interact. energy: 0.715
local terms energy: -327.293330
where:
bonds (distance) C4'-P energy: -70.751
bonds (distance) P-C4' energy: -65.718
flat angles C4'-P-C4' energy: -75.228
flat angles P-C4'-P energy: -45.097
tors. eta vs tors. theta energy: -70.499
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: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -817.336877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.336877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.336877 (E_RNA)
where:
Base-Base interactions energy: -529.543
where: short stacking energy: -222.072
Base-Backbone interact. energy: -2.186
local terms energy: -285.608380
where:
bonds (distance) C4'-P energy: -66.165
bonds (distance) P-C4' energy: -61.258
flat angles C4'-P-C4' energy: -57.623
flat angles P-C4'-P energy: -45.761
tors. eta vs tors. theta energy: -54.802
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: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -711.077861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.077861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.077861 (E_RNA)
where:
Base-Base interactions energy: -425.626
where: short stacking energy: -211.289
Base-Backbone interact. energy: -0.080
local terms energy: -285.372579
where:
bonds (distance) C4'-P energy: -52.035
bonds (distance) P-C4' energy: -66.907
flat angles C4'-P-C4' energy: -71.419
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -54.507
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: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -573.499895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.499895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.499895 (E_RNA)
where:
Base-Base interactions energy: -347.758
where: short stacking energy: -148.406
Base-Backbone interact. energy: -4.127
local terms energy: -221.614595
where:
bonds (distance) C4'-P energy: -60.870
bonds (distance) P-C4' energy: -55.319
flat angles C4'-P-C4' energy: -59.989
flat angles P-C4'-P energy: -34.272
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -455.035838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.035838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.035838 (E_RNA)
where:
Base-Base interactions energy: -233.126
where: short stacking energy: -136.335
Base-Backbone interact. energy: -2.070
local terms energy: -219.839227
where:
bonds (distance) C4'-P energy: -49.206
bonds (distance) P-C4' energy: -62.706
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -34.463
tors. eta vs tors. theta energy: -17.104
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: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -469.425545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.425545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.425545 (E_RNA)
where:
Base-Base interactions energy: -258.216
where: short stacking energy: -117.801
Base-Backbone interact. energy: -3.387
local terms energy: -207.822190
where:
bonds (distance) C4'-P energy: -46.378
bonds (distance) P-C4' energy: -56.221
flat angles C4'-P-C4' energy: -53.094
flat angles P-C4'-P energy: -33.212
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: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -305.496304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.496304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.496304 (E_RNA)
where:
Base-Base interactions energy: -103.421
where: short stacking energy: -83.779
Base-Backbone interact. energy: -0.794
local terms energy: -201.280952
where:
bonds (distance) C4'-P energy: -61.058
bonds (distance) P-C4' energy: -61.131
flat angles C4'-P-C4' energy: -61.292
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -269.898687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.898687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.898687 (E_RNA)
where:
Base-Base interactions energy: -87.563
where: short stacking energy: -73.880
Base-Backbone interact. energy: 1.774
local terms energy: -184.109601
where:
bonds (distance) C4'-P energy: -55.288
bonds (distance) P-C4' energy: -54.568
flat angles C4'-P-C4' energy: -47.453
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: 10.620
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: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -978.227784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.227784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.227784 (E_RNA)
where:
Base-Base interactions energy: -620.598
where: short stacking energy: -298.981
Base-Backbone interact. energy: 0.781
local terms energy: -358.411184
where:
bonds (distance) C4'-P energy: -68.481
bonds (distance) P-C4' energy: -71.530
flat angles C4'-P-C4' energy: -80.613
flat angles P-C4'-P energy: -51.219
tors. eta vs tors. theta energy: -86.568
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: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -991.109256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.109256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.109256 (E_RNA)
where:
Base-Base interactions energy: -669.734
where: short stacking energy: -284.440
Base-Backbone interact. energy: -0.657
local terms energy: -320.717975
where:
bonds (distance) C4'-P energy: -60.903
bonds (distance) P-C4' energy: -64.728
flat angles C4'-P-C4' energy: -68.406
flat angles P-C4'-P energy: -46.163
tors. eta vs tors. theta energy: -80.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -878.297936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.297936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.297936 (E_RNA)
where:
Base-Base interactions energy: -597.679
where: short stacking energy: -239.800
Base-Backbone interact. energy: -0.867
local terms energy: -279.752574
where:
bonds (distance) C4'-P energy: -67.368
bonds (distance) P-C4' energy: -56.669
flat angles C4'-P-C4' energy: -53.721
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: -69.990
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: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -830.113599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.113599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.113599 (E_RNA)
where:
Base-Base interactions energy: -543.166
where: short stacking energy: -229.133
Base-Backbone interact. energy: 0.153
local terms energy: -287.099984
where:
bonds (distance) C4'-P energy: -61.684
bonds (distance) P-C4' energy: -60.751
flat angles C4'-P-C4' energy: -66.622
flat angles P-C4'-P energy: -44.534
tors. eta vs tors. theta energy: -53.509
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: 58
Temperature: 1.100000
Total energy: -734.610580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.610580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.610580 (E_RNA)
where:
Base-Base interactions energy: -453.750
where: short stacking energy: -215.229
Base-Backbone interact. energy: -1.009
local terms energy: -279.851016
where:
bonds (distance) C4'-P energy: -61.166
bonds (distance) P-C4' energy: -69.620
flat angles C4'-P-C4' energy: -58.916
flat angles P-C4'-P energy: -39.109
tors. eta vs tors. theta energy: -51.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -621.170579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.170579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.170579 (E_RNA)
where:
Base-Base interactions energy: -386.420
where: short stacking energy: -167.640
Base-Backbone interact. energy: -0.890
local terms energy: -233.860168
where:
bonds (distance) C4'-P energy: -56.162
bonds (distance) P-C4' energy: -68.022
flat angles C4'-P-C4' energy: -50.134
flat angles P-C4'-P energy: -28.080
tors. eta vs tors. theta energy: -31.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -460.734971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.734971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.734971 (E_RNA)
where:
Base-Base interactions energy: -240.917
where: short stacking energy: -131.934
Base-Backbone interact. energy: 1.203
local terms energy: -221.020723
where:
bonds (distance) C4'-P energy: -57.105
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -56.157
flat angles P-C4'-P energy: -47.601
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -467.264930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.264930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.264930 (E_RNA)
where:
Base-Base interactions energy: -251.082
where: short stacking energy: -131.296
Base-Backbone interact. energy: 0.171
local terms energy: -216.354252
where:
bonds (distance) C4'-P energy: -58.757
bonds (distance) P-C4' energy: -58.443
flat angles C4'-P-C4' energy: -49.511
flat angles P-C4'-P energy: -33.552
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -277.817390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.817390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.817390 (E_RNA)
where:
Base-Base interactions energy: -83.002
where: short stacking energy: -81.920
Base-Backbone interact. energy: 0.124
local terms energy: -194.939801
where:
bonds (distance) C4'-P energy: -57.705
bonds (distance) P-C4' energy: -56.956
flat angles C4'-P-C4' energy: -58.239
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -253.068105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.068105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.068105 (E_RNA)
where:
Base-Base interactions energy: -97.554
where: short stacking energy: -86.259
Base-Backbone interact. energy: 3.664
local terms energy: -159.179055
where:
bonds (distance) C4'-P energy: -49.588
bonds (distance) P-C4' energy: -60.590
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: 12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -979.319315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.319315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.319315 (E_RNA)
where:
Base-Base interactions energy: -637.079
where: short stacking energy: -284.757
Base-Backbone interact. energy: -1.557
local terms energy: -340.683571
where:
bonds (distance) C4'-P energy: -64.508
bonds (distance) P-C4' energy: -72.439
flat angles C4'-P-C4' energy: -73.478
flat angles P-C4'-P energy: -42.196
tors. eta vs tors. theta energy: -88.061
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: 59
Temperature: 0.950000
Total energy: -995.146878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.146878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.146878 (E_RNA)
where:
Base-Base interactions energy: -673.702
where: short stacking energy: -286.264
Base-Backbone interact. energy: -2.196
local terms energy: -319.248489
where:
bonds (distance) C4'-P energy: -63.413
bonds (distance) P-C4' energy: -65.534
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -48.210
tors. eta vs tors. theta energy: -85.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -874.264431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.264431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.264431 (E_RNA)
where:
Base-Base interactions energy: -567.304
where: short stacking energy: -240.670
Base-Backbone interact. energy: 0.070
local terms energy: -307.030543
where:
bonds (distance) C4'-P energy: -64.181
bonds (distance) P-C4' energy: -71.756
flat angles C4'-P-C4' energy: -61.880
flat angles P-C4'-P energy: -45.004
tors. eta vs tors. theta energy: -64.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -873.507998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.507998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.507998 (E_RNA)
where:
Base-Base interactions energy: -572.374
where: short stacking energy: -244.011
Base-Backbone interact. energy: 3.816
local terms energy: -304.950380
where:
bonds (distance) C4'-P energy: -61.696
bonds (distance) P-C4' energy: -64.568
flat angles C4'-P-C4' energy: -70.614
flat angles P-C4'-P energy: -39.158
tors. eta vs tors. theta energy: -68.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -745.027432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.027432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.027432 (E_RNA)
where:
Base-Base interactions energy: -463.620
where: short stacking energy: -221.193
Base-Backbone interact. energy: -0.727
local terms energy: -280.680865
where:
bonds (distance) C4'-P energy: -66.316
bonds (distance) P-C4' energy: -71.087
flat angles C4'-P-C4' energy: -56.799
flat angles P-C4'-P energy: -39.725
tors. eta vs tors. theta energy: -46.753
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: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -635.774813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.774813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.774813 (E_RNA)
where:
Base-Base interactions energy: -417.833
where: short stacking energy: -187.929
Base-Backbone interact. energy: 1.934
local terms energy: -219.875858
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -56.512
flat angles C4'-P-C4' energy: -51.885
flat angles P-C4'-P energy: -29.634
tors. eta vs tors. theta energy: -38.044
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: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -531.618107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.618107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.618107 (E_RNA)
where:
Base-Base interactions energy: -290.644
where: short stacking energy: -147.437
Base-Backbone interact. energy: -0.262
local terms energy: -240.711833
where:
bonds (distance) C4'-P energy: -62.782
bonds (distance) P-C4' energy: -63.909
flat angles C4'-P-C4' energy: -46.372
flat angles P-C4'-P energy: -42.851
tors. eta vs tors. theta energy: -24.797
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: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -440.586949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.586949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.586949 (E_RNA)
where:
Base-Base interactions energy: -225.509
where: short stacking energy: -101.995
Base-Backbone interact. energy: -1.581
local terms energy: -213.496570
where:
bonds (distance) C4'-P energy: -58.229
bonds (distance) P-C4' energy: -68.335
flat angles C4'-P-C4' energy: -49.583
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -301.616119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.616119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.616119 (E_RNA)
where:
Base-Base interactions energy: -102.764
where: short stacking energy: -87.462
Base-Backbone interact. energy: -0.360
local terms energy: -198.492341
where:
bonds (distance) C4'-P energy: -56.992
bonds (distance) P-C4' energy: -43.509
flat angles C4'-P-C4' energy: -59.652
flat angles P-C4'-P energy: -37.061
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -269.451025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.451025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.451025 (E_RNA)
where:
Base-Base interactions energy: -84.617
where: short stacking energy: -68.810
Base-Backbone interact. energy: -0.507
local terms energy: -184.327377
where:
bonds (distance) C4'-P energy: -60.020
bonds (distance) P-C4' energy: -62.030
flat angles C4'-P-C4' energy: -40.288
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: 1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1035.777196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.777196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.777196 (E_RNA)
where:
Base-Base interactions energy: -685.729
where: short stacking energy: -303.646
Base-Backbone interact. energy: -1.544
local terms energy: -348.503838
where:
bonds (distance) C4'-P energy: -65.484
bonds (distance) P-C4' energy: -67.839
flat angles C4'-P-C4' energy: -69.322
flat angles P-C4'-P energy: -57.014
tors. eta vs tors. theta energy: -88.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -939.439438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.439438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.439438 (E_RNA)
where:
Base-Base interactions energy: -609.412
where: short stacking energy: -275.188
Base-Backbone interact. energy: -1.116
local terms energy: -328.911249
where:
bonds (distance) C4'-P energy: -61.137
bonds (distance) P-C4' energy: -59.653
flat angles C4'-P-C4' energy: -73.689
flat angles P-C4'-P energy: -55.748
tors. eta vs tors. theta energy: -78.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -910.137589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.137589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.137589 (E_RNA)
where:
Base-Base interactions energy: -597.459
where: short stacking energy: -247.841
Base-Backbone interact. energy: -1.380
local terms energy: -311.298040
where:
bonds (distance) C4'-P energy: -62.730
bonds (distance) P-C4' energy: -64.883
flat angles C4'-P-C4' energy: -72.435
flat angles P-C4'-P energy: -49.932
tors. eta vs tors. theta energy: -61.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -873.245638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.245638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.245638 (E_RNA)
where:
Base-Base interactions energy: -566.905
where: short stacking energy: -235.738
Base-Backbone interact. energy: -1.350
local terms energy: -304.990900
where:
bonds (distance) C4'-P energy: -58.543
bonds (distance) P-C4' energy: -68.088
flat angles C4'-P-C4' energy: -60.017
flat angles P-C4'-P energy: -50.961
tors. eta vs tors. theta energy: -67.382
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: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -741.742928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.742928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.742928 (E_RNA)
where:
Base-Base interactions energy: -492.497
where: short stacking energy: -224.146
Base-Backbone interact. energy: 0.493
local terms energy: -249.738095
where:
bonds (distance) C4'-P energy: -51.050
bonds (distance) P-C4' energy: -54.335
flat angles C4'-P-C4' energy: -54.700
flat angles P-C4'-P energy: -37.810
tors. eta vs tors. theta energy: -51.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -580.799699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.799699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.799699 (E_RNA)
where:
Base-Base interactions energy: -353.590
where: short stacking energy: -168.854
Base-Backbone interact. energy: -1.355
local terms energy: -225.855273
where:
bonds (distance) C4'-P energy: -63.257
bonds (distance) P-C4' energy: -52.315
flat angles C4'-P-C4' energy: -49.027
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: -28.235
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: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -540.015582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.015582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.015582 (E_RNA)
where:
Base-Base interactions energy: -313.904
where: short stacking energy: -154.699
Base-Backbone interact. energy: 0.316
local terms energy: -226.427542
where:
bonds (distance) C4'-P energy: -68.125
bonds (distance) P-C4' energy: -52.009
flat angles C4'-P-C4' energy: -55.817
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -20.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -441.820110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.820110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.820110 (E_RNA)
where:
Base-Base interactions energy: -227.288
where: short stacking energy: -100.684
Base-Backbone interact. energy: -0.011
local terms energy: -214.522009
where:
bonds (distance) C4'-P energy: -58.769
bonds (distance) P-C4' energy: -66.944
flat angles C4'-P-C4' energy: -53.457
flat angles P-C4'-P energy: -38.683
tors. eta vs tors. theta energy: 3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -293.535929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.535929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.535929 (E_RNA)
where:
Base-Base interactions energy: -90.651
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.796
local terms energy: -206.626214
where:
bonds (distance) C4'-P energy: -65.840
bonds (distance) P-C4' energy: -58.625
flat angles C4'-P-C4' energy: -61.900
flat angles P-C4'-P energy: -27.574
tors. eta vs tors. theta energy: 7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.537 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -275.736142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.736142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.736142 (E_RNA)
where:
Base-Base interactions energy: -100.852
where: short stacking energy: -93.325
Base-Backbone interact. energy: 2.191
local terms energy: -177.074960
where:
bonds (distance) C4'-P energy: -42.172
bonds (distance) P-C4' energy: -58.158
flat angles C4'-P-C4' energy: -54.633
flat angles P-C4'-P energy: -34.534
tors. eta vs tors. theta energy: 12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1034.647336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.647336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.647336 (E_RNA)
where:
Base-Base interactions energy: -696.794
where: short stacking energy: -305.896
Base-Backbone interact. energy: -0.462
local terms energy: -337.391328
where:
bonds (distance) C4'-P energy: -63.000
bonds (distance) P-C4' energy: -76.861
flat angles C4'-P-C4' energy: -70.837
flat angles P-C4'-P energy: -40.164
tors. eta vs tors. theta energy: -86.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -927.818387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.818387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.818387 (E_RNA)
where:
Base-Base interactions energy: -602.871
where: short stacking energy: -264.722
Base-Backbone interact. energy: -1.916
local terms energy: -323.031068
where:
bonds (distance) C4'-P energy: -65.437
bonds (distance) P-C4' energy: -63.821
flat angles C4'-P-C4' energy: -73.173
flat angles P-C4'-P energy: -54.586
tors. eta vs tors. theta energy: -66.014
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: 61
Temperature: 1.000000
Total energy: -909.129455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.129455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.129455 (E_RNA)
where:
Base-Base interactions energy: -588.957
where: short stacking energy: -254.670
Base-Backbone interact. energy: 0.650
local terms energy: -320.822896
where:
bonds (distance) C4'-P energy: -62.652
bonds (distance) P-C4' energy: -63.694
flat angles C4'-P-C4' energy: -65.891
flat angles P-C4'-P energy: -51.214
tors. eta vs tors. theta energy: -77.371
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: 61
Temperature: 1.050000
Total energy: -884.016548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.016548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.016548 (E_RNA)
where:
Base-Base interactions energy: -601.475
where: short stacking energy: -255.180
Base-Backbone interact. energy: -0.496
local terms energy: -282.045796
where:
bonds (distance) C4'-P energy: -50.253
bonds (distance) P-C4' energy: -61.849
flat angles C4'-P-C4' energy: -55.783
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -71.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -709.485616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.485616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.485616 (E_RNA)
where:
Base-Base interactions energy: -445.150
where: short stacking energy: -205.276
Base-Backbone interact. energy: -0.872
local terms energy: -263.463838
where:
bonds (distance) C4'-P energy: -65.587
bonds (distance) P-C4' energy: -55.363
flat angles C4'-P-C4' energy: -62.763
flat angles P-C4'-P energy: -35.250
tors. eta vs tors. theta energy: -44.501
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: 61
Temperature: 1.150000
Total energy: -612.011121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.011121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.011121 (E_RNA)
where:
Base-Base interactions energy: -334.721
where: short stacking energy: -171.297
Base-Backbone interact. energy: 0.470
local terms energy: -277.760474
where:
bonds (distance) C4'-P energy: -61.602
bonds (distance) P-C4' energy: -66.853
flat angles C4'-P-C4' energy: -63.175
flat angles P-C4'-P energy: -42.845
tors. eta vs tors. theta energy: -43.285
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: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -532.285943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.285943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.285943 (E_RNA)
where:
Base-Base interactions energy: -278.730
where: short stacking energy: -148.522
Base-Backbone interact. energy: -1.564
local terms energy: -251.991329
where:
bonds (distance) C4'-P energy: -61.317
bonds (distance) P-C4' energy: -63.492
flat angles C4'-P-C4' energy: -61.840
flat angles P-C4'-P energy: -44.580
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -447.475060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.475060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.475060 (E_RNA)
where:
Base-Base interactions energy: -228.607
where: short stacking energy: -119.017
Base-Backbone interact. energy: 1.888
local terms energy: -220.755600
where:
bonds (distance) C4'-P energy: -49.660
bonds (distance) P-C4' energy: -58.768
flat angles C4'-P-C4' energy: -47.460
flat angles P-C4'-P energy: -45.191
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -288.712239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.712239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.712239 (E_RNA)
where:
Base-Base interactions energy: -103.164
where: short stacking energy: -87.106
Base-Backbone interact. energy: -0.915
local terms energy: -184.633007
where:
bonds (distance) C4'-P energy: -50.881
bonds (distance) P-C4' energy: -57.965
flat angles C4'-P-C4' energy: -51.424
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -278.199840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.199840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.199840 (E_RNA)
where:
Base-Base interactions energy: -106.141
where: short stacking energy: -75.414
Base-Backbone interact. energy: 0.954
local terms energy: -173.012959
where:
bonds (distance) C4'-P energy: -34.939
bonds (distance) P-C4' energy: -65.070
flat angles C4'-P-C4' energy: -47.284
flat angles P-C4'-P energy: -32.630
tors. eta vs tors. theta energy: 6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1038.582027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.582027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.582027 (E_RNA)
where:
Base-Base interactions energy: -676.892
where: short stacking energy: -296.981
Base-Backbone interact. energy: -2.448
local terms energy: -359.241311
where:
bonds (distance) C4'-P energy: -72.043
bonds (distance) P-C4' energy: -65.974
flat angles C4'-P-C4' energy: -76.694
flat angles P-C4'-P energy: -57.334
tors. eta vs tors. theta energy: -87.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -909.264152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.264152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.264152 (E_RNA)
where:
Base-Base interactions energy: -580.877
where: short stacking energy: -270.840
Base-Backbone interact. energy: -2.387
local terms energy: -326.000454
where:
bonds (distance) C4'-P energy: -65.749
bonds (distance) P-C4' energy: -68.759
flat angles C4'-P-C4' energy: -66.449
flat angles P-C4'-P energy: -51.574
tors. eta vs tors. theta energy: -73.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -904.128986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.128986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.128986 (E_RNA)
where:
Base-Base interactions energy: -583.425
where: short stacking energy: -257.509
Base-Backbone interact. energy: 0.470
local terms energy: -321.173478
where:
bonds (distance) C4'-P energy: -61.959
bonds (distance) P-C4' energy: -74.842
flat angles C4'-P-C4' energy: -65.535
flat angles P-C4'-P energy: -47.393
tors. eta vs tors. theta energy: -71.444
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: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -906.709291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.709291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.709291 (E_RNA)
where:
Base-Base interactions energy: -597.634
where: short stacking energy: -256.961
Base-Backbone interact. energy: -0.054
local terms energy: -309.021700
where:
bonds (distance) C4'-P energy: -59.156
bonds (distance) P-C4' energy: -58.802
flat angles C4'-P-C4' energy: -68.369
flat angles P-C4'-P energy: -53.199
tors. eta vs tors. theta energy: -69.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -725.643288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.643288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.643288 (E_RNA)
where:
Base-Base interactions energy: -454.298
where: short stacking energy: -189.488
Base-Backbone interact. energy: 4.285
local terms energy: -275.629961
where:
bonds (distance) C4'-P energy: -68.154
bonds (distance) P-C4' energy: -64.363
flat angles C4'-P-C4' energy: -59.405
flat angles P-C4'-P energy: -38.336
tors. eta vs tors. theta energy: -45.372
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: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -579.992474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.992474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.992474 (E_RNA)
where:
Base-Base interactions energy: -346.755
where: short stacking energy: -166.096
Base-Backbone interact. energy: -1.314
local terms energy: -231.923215
where:
bonds (distance) C4'-P energy: -66.021
bonds (distance) P-C4' energy: -52.823
flat angles C4'-P-C4' energy: -55.791
flat angles P-C4'-P energy: -26.263
tors. eta vs tors. theta energy: -31.024
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: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -509.005069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.005069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.005069 (E_RNA)
where:
Base-Base interactions energy: -287.958
where: short stacking energy: -151.305
Base-Backbone interact. energy: -2.364
local terms energy: -218.682538
where:
bonds (distance) C4'-P energy: -47.706
bonds (distance) P-C4' energy: -57.529
flat angles C4'-P-C4' energy: -58.292
flat angles P-C4'-P energy: -36.874
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -426.156818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.156818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.156818 (E_RNA)
where:
Base-Base interactions energy: -193.161
where: short stacking energy: -104.007
Base-Backbone interact. energy: -2.581
local terms energy: -230.414995
where:
bonds (distance) C4'-P energy: -69.154
bonds (distance) P-C4' energy: -58.841
flat angles C4'-P-C4' energy: -64.089
flat angles P-C4'-P energy: -35.209
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -294.749672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.749672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.749672 (E_RNA)
where:
Base-Base interactions energy: -91.263
where: short stacking energy: -80.425
Base-Backbone interact. energy: 0.481
local terms energy: -203.967891
where:
bonds (distance) C4'-P energy: -58.931
bonds (distance) P-C4' energy: -63.260
flat angles C4'-P-C4' energy: -49.302
flat angles P-C4'-P energy: -34.808
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: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -267.798695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.798695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.798695 (E_RNA)
where:
Base-Base interactions energy: -95.690
where: short stacking energy: -84.345
Base-Backbone interact. energy: 1.803
local terms energy: -173.911959
where:
bonds (distance) C4'-P energy: -50.570
bonds (distance) P-C4' energy: -48.232
flat angles C4'-P-C4' energy: -48.276
flat angles P-C4'-P energy: -28.595
tors. eta vs tors. theta energy: 1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1042.122022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.122022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.122022 (E_RNA)
where:
Base-Base interactions energy: -695.515
where: short stacking energy: -299.293
Base-Backbone interact. energy: -0.379
local terms energy: -346.227660
where:
bonds (distance) C4'-P energy: -61.582
bonds (distance) P-C4' energy: -68.164
flat angles C4'-P-C4' energy: -77.675
flat angles P-C4'-P energy: -50.689
tors. eta vs tors. theta energy: -88.117
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: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -933.993773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.993773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.993773 (E_RNA)
where:
Base-Base interactions energy: -582.724
where: short stacking energy: -276.003
Base-Backbone interact. energy: -1.728
local terms energy: -349.541602
where:
bonds (distance) C4'-P energy: -63.604
bonds (distance) P-C4' energy: -67.102
flat angles C4'-P-C4' energy: -80.968
flat angles P-C4'-P energy: -56.147
tors. eta vs tors. theta energy: -81.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -868.864485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.864485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.864485 (E_RNA)
where:
Base-Base interactions energy: -572.573
where: short stacking energy: -247.427
Base-Backbone interact. energy: -1.992
local terms energy: -294.299207
where:
bonds (distance) C4'-P energy: -60.303
bonds (distance) P-C4' energy: -62.155
flat angles C4'-P-C4' energy: -66.952
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -64.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -836.910591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.910591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.910591 (E_RNA)
where:
Base-Base interactions energy: -557.025
where: short stacking energy: -236.009
Base-Backbone interact. energy: -1.379
local terms energy: -278.506246
where:
bonds (distance) C4'-P energy: -55.681
bonds (distance) P-C4' energy: -67.833
flat angles C4'-P-C4' energy: -53.900
flat angles P-C4'-P energy: -47.550
tors. eta vs tors. theta energy: -53.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -801.522379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.522379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.522379 (E_RNA)
where:
Base-Base interactions energy: -519.441
where: short stacking energy: -245.980
Base-Backbone interact. energy: -0.497
local terms energy: -281.584717
where:
bonds (distance) C4'-P energy: -59.557
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -64.442
flat angles P-C4'-P energy: -39.966
tors. eta vs tors. theta energy: -66.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -671.797640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.797640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.797640 (E_RNA)
where:
Base-Base interactions energy: -429.417
where: short stacking energy: -198.481
Base-Backbone interact. energy: -0.514
local terms energy: -241.866394
where:
bonds (distance) C4'-P energy: -51.820
bonds (distance) P-C4' energy: -55.889
flat angles C4'-P-C4' energy: -53.194
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: -42.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -525.562753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.562753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.562753 (E_RNA)
where:
Base-Base interactions energy: -304.874
where: short stacking energy: -139.795
Base-Backbone interact. energy: -0.719
local terms energy: -219.970507
where:
bonds (distance) C4'-P energy: -57.099
bonds (distance) P-C4' energy: -73.204
flat angles C4'-P-C4' energy: -52.773
flat angles P-C4'-P energy: -28.269
tors. eta vs tors. theta energy: -8.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -419.454437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.454437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.454437 (E_RNA)
where:
Base-Base interactions energy: -189.450
where: short stacking energy: -98.055
Base-Backbone interact. energy: -0.632
local terms energy: -229.372554
where:
bonds (distance) C4'-P energy: -56.588
bonds (distance) P-C4' energy: -62.546
flat angles C4'-P-C4' energy: -54.894
flat angles P-C4'-P energy: -43.615
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -274.725365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.725365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.725365 (E_RNA)
where:
Base-Base interactions energy: -90.601
where: short stacking energy: -73.218
Base-Backbone interact. energy: -2.127
local terms energy: -181.996764
where:
bonds (distance) C4'-P energy: -51.792
bonds (distance) P-C4' energy: -49.215
flat angles C4'-P-C4' energy: -49.454
flat angles P-C4'-P energy: -34.480
tors. eta vs tors. theta energy: 2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -271.580074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.580074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.580074 (E_RNA)
where:
Base-Base interactions energy: -73.926
where: short stacking energy: -71.235
Base-Backbone interact. energy: -1.320
local terms energy: -196.333224
where:
bonds (distance) C4'-P energy: -60.866
bonds (distance) P-C4' energy: -71.554
flat angles C4'-P-C4' energy: -42.934
flat angles P-C4'-P energy: -29.095
tors. eta vs tors. theta energy: 8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1015.540401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.540401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.540401 (E_RNA)
where:
Base-Base interactions energy: -683.012
where: short stacking energy: -287.854
Base-Backbone interact. energy: -2.351
local terms energy: -330.177751
where:
bonds (distance) C4'-P energy: -61.630
bonds (distance) P-C4' energy: -69.113
flat angles C4'-P-C4' energy: -65.578
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -86.262
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: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -932.632615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.632615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.632615 (E_RNA)
where:
Base-Base interactions energy: -617.104
where: short stacking energy: -296.770
Base-Backbone interact. energy: 0.167
local terms energy: -315.695034
where:
bonds (distance) C4'-P energy: -60.468
bonds (distance) P-C4' energy: -49.199
flat angles C4'-P-C4' energy: -78.712
flat angles P-C4'-P energy: -54.063
tors. eta vs tors. theta energy: -73.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -893.994827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.994827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.994827 (E_RNA)
where:
Base-Base interactions energy: -597.864
where: short stacking energy: -253.137
Base-Backbone interact. energy: -2.005
local terms energy: -295.053010
where:
bonds (distance) C4'-P energy: -73.252
bonds (distance) P-C4' energy: -62.281
flat angles C4'-P-C4' energy: -60.411
flat angles P-C4'-P energy: -39.916
tors. eta vs tors. theta energy: -59.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.927 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -852.026934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.026934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.026934 (E_RNA)
where:
Base-Base interactions energy: -561.652
where: short stacking energy: -235.984
Base-Backbone interact. energy: -1.114
local terms energy: -289.261137
where:
bonds (distance) C4'-P energy: -63.120
bonds (distance) P-C4' energy: -62.674
flat angles C4'-P-C4' energy: -68.361
flat angles P-C4'-P energy: -45.653
tors. eta vs tors. theta energy: -49.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -801.170717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.170717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.170717 (E_RNA)
where:
Base-Base interactions energy: -490.436
where: short stacking energy: -244.799
Base-Backbone interact. energy: -0.001
local terms energy: -310.733582
where:
bonds (distance) C4'-P energy: -55.132
bonds (distance) P-C4' energy: -63.891
flat angles C4'-P-C4' energy: -76.094
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: -72.660
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: 64
Temperature: 1.150000
Total energy: -630.802127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.802127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.802127 (E_RNA)
where:
Base-Base interactions energy: -376.411
where: short stacking energy: -168.753
Base-Backbone interact. energy: -2.169
local terms energy: -252.221357
where:
bonds (distance) C4'-P energy: -62.200
bonds (distance) P-C4' energy: -67.947
flat angles C4'-P-C4' energy: -63.339
flat angles P-C4'-P energy: -26.818
tors. eta vs tors. theta energy: -31.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -550.129162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.129162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.129162 (E_RNA)
where:
Base-Base interactions energy: -325.572
where: short stacking energy: -165.174
Base-Backbone interact. energy: 1.540
local terms energy: -226.096710
where:
bonds (distance) C4'-P energy: -54.806
bonds (distance) P-C4' energy: -56.028
flat angles C4'-P-C4' energy: -50.856
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -31.694
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: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -458.026434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.026434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.026434 (E_RNA)
where:
Base-Base interactions energy: -240.280
where: short stacking energy: -135.178
Base-Backbone interact. energy: 2.536
local terms energy: -220.281951
where:
bonds (distance) C4'-P energy: -58.743
bonds (distance) P-C4' energy: -62.916
flat angles C4'-P-C4' energy: -55.638
flat angles P-C4'-P energy: -24.881
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -276.208638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.208638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.208638 (E_RNA)
where:
Base-Base interactions energy: -95.232
where: short stacking energy: -63.418
Base-Backbone interact. energy: 0.064
local terms energy: -181.040548
where:
bonds (distance) C4'-P energy: -48.491
bonds (distance) P-C4' energy: -72.545
flat angles C4'-P-C4' energy: -49.489
flat angles P-C4'-P energy: -32.113
tors. eta vs tors. theta energy: 21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -268.119140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.119140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.119140 (E_RNA)
where:
Base-Base interactions energy: -95.343
where: short stacking energy: -85.197
Base-Backbone interact. energy: -1.307
local terms energy: -171.469465
where:
bonds (distance) C4'-P energy: -54.217
bonds (distance) P-C4' energy: -54.612
flat angles C4'-P-C4' energy: -47.505
flat angles P-C4'-P energy: -27.383
tors. eta vs tors. theta energy: 12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1012.344486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.344486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.344486 (E_RNA)
where:
Base-Base interactions energy: -693.176
where: short stacking energy: -290.072
Base-Backbone interact. energy: -2.999
local terms energy: -316.168941
where:
bonds (distance) C4'-P energy: -61.718
bonds (distance) P-C4' energy: -58.584
flat angles C4'-P-C4' energy: -69.295
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -82.341
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: 65
Temperature: 0.950000
Total energy: -963.890576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.890576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.890576 (E_RNA)
where:
Base-Base interactions energy: -641.120
where: short stacking energy: -286.252
Base-Backbone interact. energy: -0.571
local terms energy: -322.198696
where:
bonds (distance) C4'-P energy: -63.709
bonds (distance) P-C4' energy: -64.081
flat angles C4'-P-C4' energy: -68.843
flat angles P-C4'-P energy: -50.444
tors. eta vs tors. theta energy: -75.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -885.014834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.014834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.014834 (E_RNA)
where:
Base-Base interactions energy: -585.904
where: short stacking energy: -260.665
Base-Backbone interact. energy: -1.344
local terms energy: -297.766143
where:
bonds (distance) C4'-P energy: -54.643
bonds (distance) P-C4' energy: -64.818
flat angles C4'-P-C4' energy: -68.627
flat angles P-C4'-P energy: -48.185
tors. eta vs tors. theta energy: -61.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -880.135686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.135686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.135686 (E_RNA)
where:
Base-Base interactions energy: -584.603
where: short stacking energy: -237.628
Base-Backbone interact. energy: 0.433
local terms energy: -295.965644
where:
bonds (distance) C4'-P energy: -60.541
bonds (distance) P-C4' energy: -65.380
flat angles C4'-P-C4' energy: -70.830
flat angles P-C4'-P energy: -45.316
tors. eta vs tors. theta energy: -53.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -767.884529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.884529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.884529 (E_RNA)
where:
Base-Base interactions energy: -469.929
where: short stacking energy: -230.033
Base-Backbone interact. energy: -1.332
local terms energy: -296.623309
where:
bonds (distance) C4'-P energy: -58.606
bonds (distance) P-C4' energy: -60.893
flat angles C4'-P-C4' energy: -65.315
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -72.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -603.414481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.414481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.414481 (E_RNA)
where:
Base-Base interactions energy: -344.138
where: short stacking energy: -153.999
Base-Backbone interact. energy: -0.369
local terms energy: -258.907224
where:
bonds (distance) C4'-P energy: -68.595
bonds (distance) P-C4' energy: -53.686
flat angles C4'-P-C4' energy: -60.168
flat angles P-C4'-P energy: -36.335
tors. eta vs tors. theta energy: -40.123
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: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -578.760335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.760335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.760335 (E_RNA)
where:
Base-Base interactions energy: -355.307
where: short stacking energy: -162.806
Base-Backbone interact. energy: -0.580
local terms energy: -222.872570
where:
bonds (distance) C4'-P energy: -48.452
bonds (distance) P-C4' energy: -64.639
flat angles C4'-P-C4' energy: -50.908
flat angles P-C4'-P energy: -32.415
tors. eta vs tors. theta energy: -26.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -427.048095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.048095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.048095 (E_RNA)
where:
Base-Base interactions energy: -209.225
where: short stacking energy: -118.732
Base-Backbone interact. energy: -2.624
local terms energy: -215.199318
where:
bonds (distance) C4'-P energy: -53.891
bonds (distance) P-C4' energy: -53.825
flat angles C4'-P-C4' energy: -57.290
flat angles P-C4'-P energy: -41.019
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -314.212601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.212601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.212601 (E_RNA)
where:
Base-Base interactions energy: -117.796
where: short stacking energy: -95.938
Base-Backbone interact. energy: 3.098
local terms energy: -200.496365
where:
bonds (distance) C4'-P energy: -63.621
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -59.321
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.982 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -285.061879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.061879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.061879 (E_RNA)
where:
Base-Base interactions energy: -115.769
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.202
local terms energy: -169.090412
where:
bonds (distance) C4'-P energy: -59.334
bonds (distance) P-C4' energy: -57.511
flat angles C4'-P-C4' energy: -53.712
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: 16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1031.850384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.850384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.850384 (E_RNA)
where:
Base-Base interactions energy: -671.310
where: short stacking energy: -289.783
Base-Backbone interact. energy: -5.268
local terms energy: -355.272837
where:
bonds (distance) C4'-P energy: -69.547
bonds (distance) P-C4' energy: -70.343
flat angles C4'-P-C4' energy: -77.935
flat angles P-C4'-P energy: -51.853
tors. eta vs tors. theta energy: -85.595
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: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -964.961434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.961434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.961434 (E_RNA)
where:
Base-Base interactions energy: -632.415
where: short stacking energy: -282.747
Base-Backbone interact. energy: -1.211
local terms energy: -331.335214
where:
bonds (distance) C4'-P energy: -65.219
bonds (distance) P-C4' energy: -64.821
flat angles C4'-P-C4' energy: -72.909
flat angles P-C4'-P energy: -46.329
tors. eta vs tors. theta energy: -82.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -903.102398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.102398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.102398 (E_RNA)
where:
Base-Base interactions energy: -583.535
where: short stacking energy: -267.675
Base-Backbone interact. energy: -2.263
local terms energy: -317.305048
where:
bonds (distance) C4'-P energy: -67.008
bonds (distance) P-C4' energy: -60.881
flat angles C4'-P-C4' energy: -70.762
flat angles P-C4'-P energy: -48.059
tors. eta vs tors. theta energy: -70.595
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: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -883.555776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.555776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.555776 (E_RNA)
where:
Base-Base interactions energy: -590.347
where: short stacking energy: -236.504
Base-Backbone interact. energy: 5.316
local terms energy: -298.525570
where:
bonds (distance) C4'-P energy: -51.233
bonds (distance) P-C4' energy: -71.773
flat angles C4'-P-C4' energy: -63.364
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: -77.370
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: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -798.849872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.849872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.849872 (E_RNA)
where:
Base-Base interactions energy: -504.691
where: short stacking energy: -225.982
Base-Backbone interact. energy: 0.442
local terms energy: -294.601225
where:
bonds (distance) C4'-P energy: -56.511
bonds (distance) P-C4' energy: -62.126
flat angles C4'-P-C4' energy: -74.207
flat angles P-C4'-P energy: -46.109
tors. eta vs tors. theta energy: -55.648
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -634.884596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.884596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.884596 (E_RNA)
where:
Base-Base interactions energy: -384.945
where: short stacking energy: -183.435
Base-Backbone interact. energy: -0.458
local terms energy: -249.481825
where:
bonds (distance) C4'-P energy: -52.840
bonds (distance) P-C4' energy: -63.532
flat angles C4'-P-C4' energy: -54.388
flat angles P-C4'-P energy: -41.309
tors. eta vs tors. theta energy: -37.413
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: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -595.287818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.287818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.287818 (E_RNA)
where:
Base-Base interactions energy: -376.632
where: short stacking energy: -166.493
Base-Backbone interact. energy: 7.544
local terms energy: -226.200162
where:
bonds (distance) C4'-P energy: -51.393
bonds (distance) P-C4' energy: -56.336
flat angles C4'-P-C4' energy: -67.881
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -396.497044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.497044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.497044 (E_RNA)
where:
Base-Base interactions energy: -184.367
where: short stacking energy: -113.203
Base-Backbone interact. energy: 0.127
local terms energy: -212.256784
where:
bonds (distance) C4'-P energy: -57.426
bonds (distance) P-C4' energy: -53.175
flat angles C4'-P-C4' energy: -49.998
flat angles P-C4'-P energy: -36.334
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -302.931129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.931129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.931129 (E_RNA)
where:
Base-Base interactions energy: -120.838
where: short stacking energy: -93.490
Base-Backbone interact. energy: -0.055
local terms energy: -182.038510
where:
bonds (distance) C4'-P energy: -62.923
bonds (distance) P-C4' energy: -51.071
flat angles C4'-P-C4' energy: -42.262
flat angles P-C4'-P energy: -26.859
tors. eta vs tors. theta energy: 1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -264.035862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.035862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.035862 (E_RNA)
where:
Base-Base interactions energy: -92.393
where: short stacking energy: -57.502
Base-Backbone interact. energy: 0.592
local terms energy: -172.234778
where:
bonds (distance) C4'-P energy: -53.918
bonds (distance) P-C4' energy: -52.322
flat angles C4'-P-C4' energy: -54.325
flat angles P-C4'-P energy: -23.944
tors. eta vs tors. theta energy: 12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1026.801565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.801565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.801565 (E_RNA)
where:
Base-Base interactions energy: -673.639
where: short stacking energy: -302.196
Base-Backbone interact. energy: -0.989
local terms energy: -352.173663
where:
bonds (distance) C4'-P energy: -71.588
bonds (distance) P-C4' energy: -72.318
flat angles C4'-P-C4' energy: -70.721
flat angles P-C4'-P energy: -53.733
tors. eta vs tors. theta energy: -83.814
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: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -993.465169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.465169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.465169 (E_RNA)
where:
Base-Base interactions energy: -657.723
where: short stacking energy: -307.185
Base-Backbone interact. energy: -1.923
local terms energy: -333.819471
where:
bonds (distance) C4'-P energy: -60.010
bonds (distance) P-C4' energy: -64.244
flat angles C4'-P-C4' energy: -67.709
flat angles P-C4'-P energy: -49.136
tors. eta vs tors. theta energy: -92.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -876.149356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.149356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.149356 (E_RNA)
where:
Base-Base interactions energy: -564.715
where: short stacking energy: -250.824
Base-Backbone interact. energy: -1.014
local terms energy: -310.419763
where:
bonds (distance) C4'-P energy: -58.115
bonds (distance) P-C4' energy: -66.622
flat angles C4'-P-C4' energy: -67.227
flat angles P-C4'-P energy: -47.747
tors. eta vs tors. theta energy: -70.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -916.254179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.254179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.254179 (E_RNA)
where:
Base-Base interactions energy: -585.345
where: short stacking energy: -247.664
Base-Backbone interact. energy: -1.897
local terms energy: -329.012812
where:
bonds (distance) C4'-P energy: -66.735
bonds (distance) P-C4' energy: -66.932
flat angles C4'-P-C4' energy: -72.102
flat angles P-C4'-P energy: -52.763
tors. eta vs tors. theta energy: -70.481
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: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -829.216220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.216220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.216220 (E_RNA)
where:
Base-Base interactions energy: -534.826
where: short stacking energy: -254.433
Base-Backbone interact. energy: -1.156
local terms energy: -293.234388
where:
bonds (distance) C4'-P energy: -66.101
bonds (distance) P-C4' energy: -63.799
flat angles C4'-P-C4' energy: -54.992
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -68.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -600.476291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.476291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.476291 (E_RNA)
where:
Base-Base interactions energy: -355.003
where: short stacking energy: -163.969
Base-Backbone interact. energy: -0.104
local terms energy: -245.369128
where:
bonds (distance) C4'-P energy: -59.441
bonds (distance) P-C4' energy: -66.186
flat angles C4'-P-C4' energy: -53.960
flat angles P-C4'-P energy: -34.190
tors. eta vs tors. theta energy: -31.592
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: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -670.060158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.060158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.060158 (E_RNA)
where:
Base-Base interactions energy: -398.058
where: short stacking energy: -179.196
Base-Backbone interact. energy: -0.945
local terms energy: -271.057218
where:
bonds (distance) C4'-P energy: -66.278
bonds (distance) P-C4' energy: -67.070
flat angles C4'-P-C4' energy: -52.831
flat angles P-C4'-P energy: -40.086
tors. eta vs tors. theta energy: -44.791
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: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -410.726644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.726644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.726644 (E_RNA)
where:
Base-Base interactions energy: -216.086
where: short stacking energy: -114.462
Base-Backbone interact. energy: -0.860
local terms energy: -193.780839
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -64.792
flat angles C4'-P-C4' energy: -48.359
flat angles P-C4'-P energy: -32.400
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -294.817346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.817346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.817346 (E_RNA)
where:
Base-Base interactions energy: -112.769
where: short stacking energy: -93.704
Base-Backbone interact. energy: -0.877
local terms energy: -181.171351
where:
bonds (distance) C4'-P energy: -47.459
bonds (distance) P-C4' energy: -63.508
flat angles C4'-P-C4' energy: -44.407
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: 12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -272.679988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.679988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.679988 (E_RNA)
where:
Base-Base interactions energy: -81.474
where: short stacking energy: -63.438
Base-Backbone interact. energy: 0.156
local terms energy: -191.361963
where:
bonds (distance) C4'-P energy: -40.384
bonds (distance) P-C4' energy: -58.658
flat angles C4'-P-C4' energy: -49.407
flat angles P-C4'-P energy: -45.347
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: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1022.058773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.058773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.058773 (E_RNA)
where:
Base-Base interactions energy: -673.962
where: short stacking energy: -286.726
Base-Backbone interact. energy: 0.816
local terms energy: -348.912733
where:
bonds (distance) C4'-P energy: -65.714
bonds (distance) P-C4' energy: -69.566
flat angles C4'-P-C4' energy: -74.530
flat angles P-C4'-P energy: -51.592
tors. eta vs tors. theta energy: -87.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -989.769740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.769740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.769740 (E_RNA)
where:
Base-Base interactions energy: -655.529
where: short stacking energy: -303.225
Base-Backbone interact. energy: -0.608
local terms energy: -333.632621
where:
bonds (distance) C4'-P energy: -63.658
bonds (distance) P-C4' energy: -68.573
flat angles C4'-P-C4' energy: -75.228
flat angles P-C4'-P energy: -47.131
tors. eta vs tors. theta energy: -79.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -919.297679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.297679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.297679 (E_RNA)
where:
Base-Base interactions energy: -613.396
where: short stacking energy: -274.200
Base-Backbone interact. energy: -1.337
local terms energy: -304.565269
where:
bonds (distance) C4'-P energy: -60.249
bonds (distance) P-C4' energy: -58.101
flat angles C4'-P-C4' energy: -76.386
flat angles P-C4'-P energy: -34.331
tors. eta vs tors. theta energy: -75.499
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: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -869.867593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.867593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.867593 (E_RNA)
where:
Base-Base interactions energy: -560.508
where: short stacking energy: -240.625
Base-Backbone interact. energy: 1.022
local terms energy: -310.381288
where:
bonds (distance) C4'-P energy: -61.048
bonds (distance) P-C4' energy: -60.616
flat angles C4'-P-C4' energy: -65.312
flat angles P-C4'-P energy: -46.913
tors. eta vs tors. theta energy: -76.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -821.540376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.540376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.540376 (E_RNA)
where:
Base-Base interactions energy: -518.825
where: short stacking energy: -250.020
Base-Backbone interact. energy: -0.570
local terms energy: -302.145911
where:
bonds (distance) C4'-P energy: -68.676
bonds (distance) P-C4' energy: -61.479
flat angles C4'-P-C4' energy: -60.566
flat angles P-C4'-P energy: -35.729
tors. eta vs tors. theta energy: -75.696
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: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -608.042619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.042619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.042619 (E_RNA)
where:
Base-Base interactions energy: -356.982
where: short stacking energy: -185.520
Base-Backbone interact. energy: 0.021
local terms energy: -251.081610
where:
bonds (distance) C4'-P energy: -50.448
bonds (distance) P-C4' energy: -64.387
flat angles C4'-P-C4' energy: -59.362
flat angles P-C4'-P energy: -27.711
tors. eta vs tors. theta energy: -49.173
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: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -620.767209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.767209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.767209 (E_RNA)
where:
Base-Base interactions energy: -397.633
where: short stacking energy: -160.150
Base-Backbone interact. energy: -4.501
local terms energy: -218.632709
where:
bonds (distance) C4'-P energy: -44.859
bonds (distance) P-C4' energy: -54.068
flat angles C4'-P-C4' energy: -61.347
flat angles P-C4'-P energy: -35.209
tors. eta vs tors. theta energy: -23.150
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: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -395.024011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.024011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.024011 (E_RNA)
where:
Base-Base interactions energy: -192.237
where: short stacking energy: -122.770
Base-Backbone interact. energy: 3.644
local terms energy: -206.430609
where:
bonds (distance) C4'-P energy: -52.728
bonds (distance) P-C4' energy: -55.037
flat angles C4'-P-C4' energy: -59.869
flat angles P-C4'-P energy: -31.745
tors. eta vs tors. theta energy: -7.052
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: 9, replica: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -293.434130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.434130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.434130 (E_RNA)
where:
Base-Base interactions energy: -114.910
where: short stacking energy: -77.581
Base-Backbone interact. energy: -0.714
local terms energy: -177.809750
where:
bonds (distance) C4'-P energy: -52.810
bonds (distance) P-C4' energy: -54.826
flat angles C4'-P-C4' energy: -50.171
flat angles P-C4'-P energy: -32.049
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: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -301.128847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.128847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.128847 (E_RNA)
where:
Base-Base interactions energy: -121.448
where: short stacking energy: -93.845
Base-Backbone interact. energy: 2.407
local terms energy: -182.087673
where:
bonds (distance) C4'-P energy: -46.548
bonds (distance) P-C4' energy: -46.089
flat angles C4'-P-C4' energy: -50.001
flat angles P-C4'-P energy: -38.849
tors. eta vs tors. theta energy: -0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1015.046625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.046625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.046625 (E_RNA)
where:
Base-Base interactions energy: -695.248
where: short stacking energy: -289.399
Base-Backbone interact. energy: -1.762
local terms energy: -318.037119
where:
bonds (distance) C4'-P energy: -66.538
bonds (distance) P-C4' energy: -56.950
flat angles C4'-P-C4' energy: -66.965
flat angles P-C4'-P energy: -51.591
tors. eta vs tors. theta energy: -75.993
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: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -958.910486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.910486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.910486 (E_RNA)
where:
Base-Base interactions energy: -628.107
where: short stacking energy: -288.757
Base-Backbone interact. energy: -0.374
local terms energy: -330.429533
where:
bonds (distance) C4'-P energy: -49.905
bonds (distance) P-C4' energy: -66.464
flat angles C4'-P-C4' energy: -74.932
flat angles P-C4'-P energy: -54.962
tors. eta vs tors. theta energy: -84.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -960.581593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.581593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.581593 (E_RNA)
where:
Base-Base interactions energy: -639.449
where: short stacking energy: -267.131
Base-Backbone interact. energy: -1.942
local terms energy: -319.190354
where:
bonds (distance) C4'-P energy: -71.499
bonds (distance) P-C4' energy: -65.613
flat angles C4'-P-C4' energy: -64.460
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -79.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -881.107309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.107309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.107309 (E_RNA)
where:
Base-Base interactions energy: -571.490
where: short stacking energy: -262.220
Base-Backbone interact. energy: 1.953
local terms energy: -312.283687
where:
bonds (distance) C4'-P energy: -60.532
bonds (distance) P-C4' energy: -62.656
flat angles C4'-P-C4' energy: -71.054
flat angles P-C4'-P energy: -36.924
tors. eta vs tors. theta energy: -81.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.714 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -769.918853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.918853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.918853 (E_RNA)
where:
Base-Base interactions energy: -483.817
where: short stacking energy: -236.107
Base-Backbone interact. energy: 2.233
local terms energy: -288.335599
where:
bonds (distance) C4'-P energy: -60.412
bonds (distance) P-C4' energy: -57.735
flat angles C4'-P-C4' energy: -63.680
flat angles P-C4'-P energy: -44.281
tors. eta vs tors. theta energy: -62.228
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: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -660.921299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.921299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.921299 (E_RNA)
where:
Base-Base interactions energy: -419.357
where: short stacking energy: -201.098
Base-Backbone interact. energy: -2.744
local terms energy: -238.820519
where:
bonds (distance) C4'-P energy: -61.009
bonds (distance) P-C4' energy: -48.648
flat angles C4'-P-C4' energy: -62.249
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: -44.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -557.638859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.638859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.638859 (E_RNA)
where:
Base-Base interactions energy: -334.525
where: short stacking energy: -164.789
Base-Backbone interact. energy: 1.430
local terms energy: -224.543478
where:
bonds (distance) C4'-P energy: -44.530
bonds (distance) P-C4' energy: -68.937
flat angles C4'-P-C4' energy: -61.141
flat angles P-C4'-P energy: -27.924
tors. eta vs tors. theta energy: -22.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -384.666945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.666945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.666945 (E_RNA)
where:
Base-Base interactions energy: -174.379
where: short stacking energy: -104.847
Base-Backbone interact. energy: -1.232
local terms energy: -209.055848
where:
bonds (distance) C4'-P energy: -52.144
bonds (distance) P-C4' energy: -58.261
flat angles C4'-P-C4' energy: -50.399
flat angles P-C4'-P energy: -38.584
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -303.210468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.210468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.210468 (E_RNA)
where:
Base-Base interactions energy: -113.127
where: short stacking energy: -93.611
Base-Backbone interact. energy: -0.706
local terms energy: -189.377330
where:
bonds (distance) C4'-P energy: -55.473
bonds (distance) P-C4' energy: -56.080
flat angles C4'-P-C4' energy: -52.001
flat angles P-C4'-P energy: -22.899
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -259.838258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.838258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.838258 (E_RNA)
where:
Base-Base interactions energy: -67.819
where: short stacking energy: -64.361
Base-Backbone interact. energy: -2.200
local terms energy: -189.819350
where:
bonds (distance) C4'-P energy: -63.234
bonds (distance) P-C4' energy: -60.243
flat angles C4'-P-C4' energy: -52.317
flat angles P-C4'-P energy: -18.321
tors. eta vs tors. theta energy: 4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1021.077679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.077679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.077679 (E_RNA)
where:
Base-Base interactions energy: -700.530
where: short stacking energy: -300.540
Base-Backbone interact. energy: -1.987
local terms energy: -318.560547
where:
bonds (distance) C4'-P energy: -58.894
bonds (distance) P-C4' energy: -56.618
flat angles C4'-P-C4' energy: -71.906
flat angles P-C4'-P energy: -52.714
tors. eta vs tors. theta energy: -78.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -961.951600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.951600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.951600 (E_RNA)
where:
Base-Base interactions energy: -627.239
where: short stacking energy: -279.759
Base-Backbone interact. energy: 0.758
local terms energy: -335.470047
where:
bonds (distance) C4'-P energy: -62.666
bonds (distance) P-C4' energy: -77.328
flat angles C4'-P-C4' energy: -70.008
flat angles P-C4'-P energy: -47.680
tors. eta vs tors. theta energy: -77.788
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: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -929.650790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.650790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.650790 (E_RNA)
where:
Base-Base interactions energy: -612.032
where: short stacking energy: -265.352
Base-Backbone interact. energy: -2.047
local terms energy: -315.571664
where:
bonds (distance) C4'-P energy: -60.820
bonds (distance) P-C4' energy: -69.614
flat angles C4'-P-C4' energy: -68.458
flat angles P-C4'-P energy: -42.559
tors. eta vs tors. theta energy: -74.120
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: 70
Temperature: 1.050000
Total energy: -867.130823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.130823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.130823 (E_RNA)
where:
Base-Base interactions energy: -553.077
where: short stacking energy: -233.857
Base-Backbone interact. energy: 0.480
local terms energy: -314.533271
where:
bonds (distance) C4'-P energy: -58.322
bonds (distance) P-C4' energy: -66.598
flat angles C4'-P-C4' energy: -69.988
flat angles P-C4'-P energy: -42.864
tors. eta vs tors. theta energy: -76.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -720.082797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.082797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.082797 (E_RNA)
where:
Base-Base interactions energy: -442.741
where: short stacking energy: -203.194
Base-Backbone interact. energy: -0.481
local terms energy: -277.212562
where:
bonds (distance) C4'-P energy: -68.604
bonds (distance) P-C4' energy: -60.413
flat angles C4'-P-C4' energy: -61.456
flat angles P-C4'-P energy: -40.579
tors. eta vs tors. theta energy: -46.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.351 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -742.212299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.212299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.212299 (E_RNA)
where:
Base-Base interactions energy: -474.299
where: short stacking energy: -206.571
Base-Backbone interact. energy: 0.647
local terms energy: -268.560834
where:
bonds (distance) C4'-P energy: -63.739
bonds (distance) P-C4' energy: -55.409
flat angles C4'-P-C4' energy: -53.647
flat angles P-C4'-P energy: -46.705
tors. eta vs tors. theta energy: -49.061
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: 70
Temperature: 1.200000
Total energy: -558.338826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.338826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.338826 (E_RNA)
where:
Base-Base interactions energy: -346.963
where: short stacking energy: -166.123
Base-Backbone interact. energy: 4.294
local terms energy: -215.670270
where:
bonds (distance) C4'-P energy: -39.726
bonds (distance) P-C4' energy: -53.569
flat angles C4'-P-C4' energy: -56.543
flat angles P-C4'-P energy: -33.782
tors. eta vs tors. theta energy: -32.050
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: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -375.396425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.396425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.396425 (E_RNA)
where:
Base-Base interactions energy: -169.025
where: short stacking energy: -93.435
Base-Backbone interact. energy: -0.747
local terms energy: -208.144522
where:
bonds (distance) C4'-P energy: -54.978
bonds (distance) P-C4' energy: -66.308
flat angles C4'-P-C4' energy: -41.804
flat angles P-C4'-P energy: -39.446
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.520 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -284.615701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.615701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.615701 (E_RNA)
where:
Base-Base interactions energy: -116.920
where: short stacking energy: -67.397
Base-Backbone interact. energy: -2.264
local terms energy: -165.432056
where:
bonds (distance) C4'-P energy: -44.927
bonds (distance) P-C4' energy: -68.424
flat angles C4'-P-C4' energy: -41.616
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: 20.750
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: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -285.087508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.087508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.087508 (E_RNA)
where:
Base-Base interactions energy: -104.253
where: short stacking energy: -77.247
Base-Backbone interact. energy: -0.647
local terms energy: -180.187955
where:
bonds (distance) C4'-P energy: -57.553
bonds (distance) P-C4' energy: -61.377
flat angles C4'-P-C4' energy: -42.596
flat angles P-C4'-P energy: -26.439
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: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1052.457295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.457295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.457295 (E_RNA)
where:
Base-Base interactions energy: -718.603
where: short stacking energy: -293.924
Base-Backbone interact. energy: -0.356
local terms energy: -333.498518
where:
bonds (distance) C4'-P energy: -69.637
bonds (distance) P-C4' energy: -65.131
flat angles C4'-P-C4' energy: -73.539
flat angles P-C4'-P energy: -35.671
tors. eta vs tors. theta energy: -89.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -981.247775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.247775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.247775 (E_RNA)
where:
Base-Base interactions energy: -675.230
where: short stacking energy: -282.003
Base-Backbone interact. energy: -1.237
local terms energy: -304.780248
where:
bonds (distance) C4'-P energy: -66.792
bonds (distance) P-C4' energy: -55.428
flat angles C4'-P-C4' energy: -70.049
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -72.248
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: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -959.779687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.779687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.779687 (E_RNA)
where:
Base-Base interactions energy: -624.743
where: short stacking energy: -284.932
Base-Backbone interact. energy: 1.082
local terms energy: -336.118570
where:
bonds (distance) C4'-P energy: -60.576
bonds (distance) P-C4' energy: -64.118
flat angles C4'-P-C4' energy: -77.849
flat angles P-C4'-P energy: -48.421
tors. eta vs tors. theta energy: -85.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -878.270750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.270750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.270750 (E_RNA)
where:
Base-Base interactions energy: -576.792
where: short stacking energy: -244.280
Base-Backbone interact. energy: -1.418
local terms energy: -300.061074
where:
bonds (distance) C4'-P energy: -61.085
bonds (distance) P-C4' energy: -66.759
flat angles C4'-P-C4' energy: -70.045
flat angles P-C4'-P energy: -44.446
tors. eta vs tors. theta energy: -57.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -790.913322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.913322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.913322 (E_RNA)
where:
Base-Base interactions energy: -514.946
where: short stacking energy: -224.929
Base-Backbone interact. energy: -0.963
local terms energy: -275.004475
where:
bonds (distance) C4'-P energy: -64.491
bonds (distance) P-C4' energy: -61.415
flat angles C4'-P-C4' energy: -53.005
flat angles P-C4'-P energy: -33.500
tors. eta vs tors. theta energy: -62.594
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: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -746.111362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.111362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.111362 (E_RNA)
where:
Base-Base interactions energy: -514.927
where: short stacking energy: -213.967
Base-Backbone interact. energy: -1.121
local terms energy: -230.064124
where:
bonds (distance) C4'-P energy: -46.701
bonds (distance) P-C4' energy: -51.741
flat angles C4'-P-C4' energy: -53.432
flat angles P-C4'-P energy: -28.246
tors. eta vs tors. theta energy: -49.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -515.994215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.994215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.994215 (E_RNA)
where:
Base-Base interactions energy: -310.392
where: short stacking energy: -154.949
Base-Backbone interact. energy: 0.231
local terms energy: -206.083374
where:
bonds (distance) C4'-P energy: -54.877
bonds (distance) P-C4' energy: -50.891
flat angles C4'-P-C4' energy: -57.138
flat angles P-C4'-P energy: -31.609
tors. eta vs tors. theta energy: -11.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.250 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -363.522660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.522660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.522660 (E_RNA)
where:
Base-Base interactions energy: -156.744
where: short stacking energy: -96.344
Base-Backbone interact. energy: 1.177
local terms energy: -207.955303
where:
bonds (distance) C4'-P energy: -57.722
bonds (distance) P-C4' energy: -67.028
flat angles C4'-P-C4' energy: -56.409
flat angles P-C4'-P energy: -29.809
tors. eta vs tors. theta energy: 3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -365.406066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.406066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.406066 (E_RNA)
where:
Base-Base interactions energy: -150.074
where: short stacking energy: -104.883
Base-Backbone interact. energy: 0.205
local terms energy: -215.537418
where:
bonds (distance) C4'-P energy: -48.996
bonds (distance) P-C4' energy: -61.643
flat angles C4'-P-C4' energy: -56.165
flat angles P-C4'-P energy: -31.212
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -272.297658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.297658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.297658 (E_RNA)
where:
Base-Base interactions energy: -67.586
where: short stacking energy: -49.148
Base-Backbone interact. energy: 0.007
local terms energy: -204.719356
where:
bonds (distance) C4'-P energy: -62.921
bonds (distance) P-C4' energy: -54.949
flat angles C4'-P-C4' energy: -59.267
flat angles P-C4'-P energy: -32.919
tors. eta vs tors. theta energy: 5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1074.459421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.459421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.459421 (E_RNA)
where:
Base-Base interactions energy: -715.841
where: short stacking energy: -293.886
Base-Backbone interact. energy: -1.364
local terms energy: -357.254675
where:
bonds (distance) C4'-P energy: -63.570
bonds (distance) P-C4' energy: -78.868
flat angles C4'-P-C4' energy: -73.236
flat angles P-C4'-P energy: -54.258
tors. eta vs tors. theta energy: -87.323
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: 1
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -977.805405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.805405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.805405 (E_RNA)
where:
Base-Base interactions energy: -663.542
where: short stacking energy: -286.013
Base-Backbone interact. energy: -2.556
local terms energy: -311.707220
where:
bonds (distance) C4'-P energy: -62.748
bonds (distance) P-C4' energy: -62.586
flat angles C4'-P-C4' energy: -64.274
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -78.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -933.067776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.067776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.067776 (E_RNA)
where:
Base-Base interactions energy: -605.138
where: short stacking energy: -263.170
Base-Backbone interact. energy: -2.046
local terms energy: -325.883761
where:
bonds (distance) C4'-P energy: -63.977
bonds (distance) P-C4' energy: -68.216
flat angles C4'-P-C4' energy: -66.809
flat angles P-C4'-P energy: -56.073
tors. eta vs tors. theta energy: -70.810
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: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -851.143300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.143300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.143300 (E_RNA)
where:
Base-Base interactions energy: -571.431
where: short stacking energy: -235.367
Base-Backbone interact. energy: -1.275
local terms energy: -278.437862
where:
bonds (distance) C4'-P energy: -57.059
bonds (distance) P-C4' energy: -60.304
flat angles C4'-P-C4' energy: -66.407
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -57.368
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: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -812.711314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.711314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.711314 (E_RNA)
where:
Base-Base interactions energy: -517.284
where: short stacking energy: -236.640
Base-Backbone interact. energy: -0.266
local terms energy: -295.161101
where:
bonds (distance) C4'-P energy: -54.765
bonds (distance) P-C4' energy: -69.671
flat angles C4'-P-C4' energy: -60.570
flat angles P-C4'-P energy: -42.577
tors. eta vs tors. theta energy: -67.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -741.628803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.628803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.628803 (E_RNA)
where:
Base-Base interactions energy: -468.294
where: short stacking energy: -227.252
Base-Backbone interact. energy: -0.027
local terms energy: -273.307442
where:
bonds (distance) C4'-P energy: -55.121
bonds (distance) P-C4' energy: -55.067
flat angles C4'-P-C4' energy: -66.262
flat angles P-C4'-P energy: -32.623
tors. eta vs tors. theta energy: -64.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -458.810265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.810265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.810265 (E_RNA)
where:
Base-Base interactions energy: -252.013
where: short stacking energy: -114.011
Base-Backbone interact. energy: 0.947
local terms energy: -207.743639
where:
bonds (distance) C4'-P energy: -50.400
bonds (distance) P-C4' energy: -61.303
flat angles C4'-P-C4' energy: -54.953
flat angles P-C4'-P energy: -29.459
tors. eta vs tors. theta energy: -11.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -346.979153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.979153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.979153 (E_RNA)
where:
Base-Base interactions energy: -135.152
where: short stacking energy: -125.190
Base-Backbone interact. energy: -1.196
local terms energy: -210.631198
where:
bonds (distance) C4'-P energy: -47.315
bonds (distance) P-C4' energy: -64.115
flat angles C4'-P-C4' energy: -60.077
flat angles P-C4'-P energy: -32.190
tors. eta vs tors. theta energy: -6.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -358.998346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.998346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.998346 (E_RNA)
where:
Base-Base interactions energy: -185.503
where: short stacking energy: -113.740
Base-Backbone interact. energy: 0.104
local terms energy: -173.599343
where:
bonds (distance) C4'-P energy: -39.685
bonds (distance) P-C4' energy: -63.483
flat angles C4'-P-C4' energy: -46.549
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -8.011
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: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -293.249250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.249250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.249250 (E_RNA)
where:
Base-Base interactions energy: -96.339
where: short stacking energy: -64.499
Base-Backbone interact. energy: 1.177
local terms energy: -198.087118
where:
bonds (distance) C4'-P energy: -51.367
bonds (distance) P-C4' energy: -55.680
flat angles C4'-P-C4' energy: -50.720
flat angles P-C4'-P energy: -40.840
tors. eta vs tors. theta energy: 0.520
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: 73
Temperature: 0.900000
Total energy: -1081.693594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.693594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.693594 (E_RNA)
where:
Base-Base interactions energy: -729.876
where: short stacking energy: -303.288
Base-Backbone interact. energy: -1.143
local terms energy: -350.674244
where:
bonds (distance) C4'-P energy: -65.748
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -83.803
flat angles P-C4'-P energy: -54.128
tors. eta vs tors. theta energy: -90.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -968.358680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.358680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.358680 (E_RNA)
where:
Base-Base interactions energy: -644.762
where: short stacking energy: -275.616
Base-Backbone interact. energy: -0.811
local terms energy: -322.785907
where:
bonds (distance) C4'-P energy: -67.901
bonds (distance) P-C4' energy: -68.144
flat angles C4'-P-C4' energy: -74.949
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -69.844
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: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -936.616582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.616582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.616582 (E_RNA)
where:
Base-Base interactions energy: -615.046
where: short stacking energy: -297.009
Base-Backbone interact. energy: -2.487
local terms energy: -319.083522
where:
bonds (distance) C4'-P energy: -54.563
bonds (distance) P-C4' energy: -59.674
flat angles C4'-P-C4' energy: -76.598
flat angles P-C4'-P energy: -43.559
tors. eta vs tors. theta energy: -84.690
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: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -877.933391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.933391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.933391 (E_RNA)
where:
Base-Base interactions energy: -559.209
where: short stacking energy: -253.009
Base-Backbone interact. energy: -1.024
local terms energy: -317.700232
where:
bonds (distance) C4'-P energy: -66.250
bonds (distance) P-C4' energy: -66.260
flat angles C4'-P-C4' energy: -71.191
flat angles P-C4'-P energy: -39.190
tors. eta vs tors. theta energy: -74.809
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: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -785.842548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.842548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.842548 (E_RNA)
where:
Base-Base interactions energy: -497.394
where: short stacking energy: -221.671
Base-Backbone interact. energy: -2.119
local terms energy: -286.329693
where:
bonds (distance) C4'-P energy: -67.457
bonds (distance) P-C4' energy: -70.253
flat angles C4'-P-C4' energy: -59.063
flat angles P-C4'-P energy: -38.746
tors. eta vs tors. theta energy: -50.812
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: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -770.860879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.860879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.860879 (E_RNA)
where:
Base-Base interactions energy: -495.670
where: short stacking energy: -220.889
Base-Backbone interact. energy: -1.182
local terms energy: -274.009478
where:
bonds (distance) C4'-P energy: -52.048
bonds (distance) P-C4' energy: -71.375
flat angles C4'-P-C4' energy: -59.056
flat angles P-C4'-P energy: -38.138
tors. eta vs tors. theta energy: -53.393
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: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -528.504882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.504882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.504882 (E_RNA)
where:
Base-Base interactions energy: -297.999
where: short stacking energy: -142.601
Base-Backbone interact. energy: -0.836
local terms energy: -229.669081
where:
bonds (distance) C4'-P energy: -53.392
bonds (distance) P-C4' energy: -57.802
flat angles C4'-P-C4' energy: -52.825
flat angles P-C4'-P energy: -38.877
tors. eta vs tors. theta energy: -26.774
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: 73
Temperature: 1.250000
Total energy: -420.501540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.501540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.501540 (E_RNA)
where:
Base-Base interactions energy: -219.428
where: short stacking energy: -119.265
Base-Backbone interact. energy: -1.477
local terms energy: -199.595924
where:
bonds (distance) C4'-P energy: -51.351
bonds (distance) P-C4' energy: -61.300
flat angles C4'-P-C4' energy: -59.411
flat angles P-C4'-P energy: -36.189
tors. eta vs tors. theta energy: 8.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -289.008595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.008595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.008595 (E_RNA)
where:
Base-Base interactions energy: -113.184
where: short stacking energy: -81.035
Base-Backbone interact. energy: -1.254
local terms energy: -174.570292
where:
bonds (distance) C4'-P energy: -50.192
bonds (distance) P-C4' energy: -70.702
flat angles C4'-P-C4' energy: -35.170
flat angles P-C4'-P energy: -28.035
tors. eta vs tors. theta energy: 9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -269.543201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.543201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.543201 (E_RNA)
where:
Base-Base interactions energy: -87.909
where: short stacking energy: -73.658
Base-Backbone interact. energy: 0.009
local terms energy: -181.643745
where:
bonds (distance) C4'-P energy: -57.641
bonds (distance) P-C4' energy: -62.766
flat angles C4'-P-C4' energy: -50.132
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: 13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1085.226486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.226486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.226486 (E_RNA)
where:
Base-Base interactions energy: -746.340
where: short stacking energy: -295.532
Base-Backbone interact. energy: -0.819
local terms energy: -338.066811
where:
bonds (distance) C4'-P energy: -70.154
bonds (distance) P-C4' energy: -61.257
flat angles C4'-P-C4' energy: -68.857
flat angles P-C4'-P energy: -52.211
tors. eta vs tors. theta energy: -85.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -962.193182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.193182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.193182 (E_RNA)
where:
Base-Base interactions energy: -645.134
where: short stacking energy: -265.018
Base-Backbone interact. energy: 3.552
local terms energy: -320.611979
where:
bonds (distance) C4'-P energy: -70.648
bonds (distance) P-C4' energy: -66.033
flat angles C4'-P-C4' energy: -73.757
flat angles P-C4'-P energy: -37.095
tors. eta vs tors. theta energy: -73.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -928.537541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.537541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.537541 (E_RNA)
where:
Base-Base interactions energy: -611.316
where: short stacking energy: -281.728
Base-Backbone interact. energy: 1.108
local terms energy: -318.329631
where:
bonds (distance) C4'-P energy: -59.581
bonds (distance) P-C4' energy: -66.211
flat angles C4'-P-C4' energy: -68.703
flat angles P-C4'-P energy: -46.551
tors. eta vs tors. theta energy: -77.284
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: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -915.250263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.250263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.250263 (E_RNA)
where:
Base-Base interactions energy: -609.140
where: short stacking energy: -262.236
Base-Backbone interact. energy: -0.037
local terms energy: -306.073417
where:
bonds (distance) C4'-P energy: -51.188
bonds (distance) P-C4' energy: -64.517
flat angles C4'-P-C4' energy: -69.283
flat angles P-C4'-P energy: -49.600
tors. eta vs tors. theta energy: -71.486
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: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -799.808847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.808847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.808847 (E_RNA)
where:
Base-Base interactions energy: -499.297
where: short stacking energy: -239.183
Base-Backbone interact. energy: 0.317
local terms energy: -300.828232
where:
bonds (distance) C4'-P energy: -59.678
bonds (distance) P-C4' energy: -68.564
flat angles C4'-P-C4' energy: -70.356
flat angles P-C4'-P energy: -41.433
tors. eta vs tors. theta energy: -60.796
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: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -749.167330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.167330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.167330 (E_RNA)
where:
Base-Base interactions energy: -479.613
where: short stacking energy: -223.578
Base-Backbone interact. energy: -1.748
local terms energy: -267.806265
where:
bonds (distance) C4'-P energy: -59.299
bonds (distance) P-C4' energy: -41.630
flat angles C4'-P-C4' energy: -68.401
flat angles P-C4'-P energy: -38.552
tors. eta vs tors. theta energy: -59.924
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: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -533.947931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.947931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.947931 (E_RNA)
where:
Base-Base interactions energy: -287.852
where: short stacking energy: -163.576
Base-Backbone interact. energy: -0.782
local terms energy: -245.314287
where:
bonds (distance) C4'-P energy: -60.702
bonds (distance) P-C4' energy: -61.218
flat angles C4'-P-C4' energy: -56.759
flat angles P-C4'-P energy: -37.550
tors. eta vs tors. theta energy: -29.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -416.240146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.240146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.240146 (E_RNA)
where:
Base-Base interactions energy: -212.868
where: short stacking energy: -135.266
Base-Backbone interact. energy: 1.002
local terms energy: -204.374066
where:
bonds (distance) C4'-P energy: -42.607
bonds (distance) P-C4' energy: -57.455
flat angles C4'-P-C4' energy: -63.547
flat angles P-C4'-P energy: -27.787
tors. eta vs tors. theta energy: -12.978
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: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -274.142005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.142005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.142005 (E_RNA)
where:
Base-Base interactions energy: -105.231
where: short stacking energy: -60.622
Base-Backbone interact. energy: -3.809
local terms energy: -165.102299
where:
bonds (distance) C4'-P energy: -60.708
bonds (distance) P-C4' energy: -58.799
flat angles C4'-P-C4' energy: -42.909
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: 18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -276.910413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.910413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.910413 (E_RNA)
where:
Base-Base interactions energy: -111.212
where: short stacking energy: -81.948
Base-Backbone interact. energy: -0.884
local terms energy: -164.814503
where:
bonds (distance) C4'-P energy: -57.373
bonds (distance) P-C4' energy: -55.013
flat angles C4'-P-C4' energy: -42.816
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: 11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1063.741470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.741470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.741470 (E_RNA)
where:
Base-Base interactions energy: -723.163
where: short stacking energy: -292.681
Base-Backbone interact. energy: -1.374
local terms energy: -339.203554
where:
bonds (distance) C4'-P energy: -60.445
bonds (distance) P-C4' energy: -74.460
flat angles C4'-P-C4' energy: -68.700
flat angles P-C4'-P energy: -47.419
tors. eta vs tors. theta energy: -88.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -984.861736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.861736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.861736 (E_RNA)
where:
Base-Base interactions energy: -669.713
where: short stacking energy: -292.771
Base-Backbone interact. energy: 6.116
local terms energy: -321.264388
where:
bonds (distance) C4'-P energy: -63.314
bonds (distance) P-C4' energy: -65.469
flat angles C4'-P-C4' energy: -64.057
flat angles P-C4'-P energy: -51.172
tors. eta vs tors. theta energy: -77.252
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: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -914.726307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.726307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.726307 (E_RNA)
where:
Base-Base interactions energy: -589.944
where: short stacking energy: -269.606
Base-Backbone interact. energy: 0.422
local terms energy: -325.204670
where:
bonds (distance) C4'-P energy: -65.611
bonds (distance) P-C4' energy: -67.110
flat angles C4'-P-C4' energy: -73.707
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -77.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -949.044699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.044699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.044699 (E_RNA)
where:
Base-Base interactions energy: -623.124
where: short stacking energy: -262.510
Base-Backbone interact. energy: 1.197
local terms energy: -327.118258
where:
bonds (distance) C4'-P energy: -64.197
bonds (distance) P-C4' energy: -56.698
flat angles C4'-P-C4' energy: -70.618
flat angles P-C4'-P energy: -53.475
tors. eta vs tors. theta energy: -82.130
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: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -790.429061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.429061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.429061 (E_RNA)
where:
Base-Base interactions energy: -519.991
where: short stacking energy: -251.442
Base-Backbone interact. energy: 0.897
local terms energy: -271.335188
where:
bonds (distance) C4'-P energy: -49.854
bonds (distance) P-C4' energy: -58.809
flat angles C4'-P-C4' energy: -60.493
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: -64.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -739.227459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.227459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.227459 (E_RNA)
where:
Base-Base interactions energy: -470.968
where: short stacking energy: -204.841
Base-Backbone interact. energy: -1.531
local terms energy: -266.727803
where:
bonds (distance) C4'-P energy: -64.230
bonds (distance) P-C4' energy: -60.737
flat angles C4'-P-C4' energy: -55.226
flat angles P-C4'-P energy: -39.915
tors. eta vs tors. theta energy: -46.620
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: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -534.479780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.479780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.479780 (E_RNA)
where:
Base-Base interactions energy: -296.414
where: short stacking energy: -152.836
Base-Backbone interact. energy: -0.366
local terms energy: -237.699977
where:
bonds (distance) C4'-P energy: -55.565
bonds (distance) P-C4' energy: -70.490
flat angles C4'-P-C4' energy: -56.405
flat angles P-C4'-P energy: -32.630
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -429.244551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.244551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.244551 (E_RNA)
where:
Base-Base interactions energy: -189.610
where: short stacking energy: -113.450
Base-Backbone interact. energy: -0.442
local terms energy: -239.191591
where:
bonds (distance) C4'-P energy: -65.645
bonds (distance) P-C4' energy: -69.856
flat angles C4'-P-C4' energy: -50.744
flat angles P-C4'-P energy: -45.037
tors. eta vs tors. theta energy: -7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -301.519134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.519134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.519134 (E_RNA)
where:
Base-Base interactions energy: -85.054
where: short stacking energy: -70.560
Base-Backbone interact. energy: -0.718
local terms energy: -215.747172
where:
bonds (distance) C4'-P energy: -49.049
bonds (distance) P-C4' energy: -74.182
flat angles C4'-P-C4' energy: -55.940
flat angles P-C4'-P energy: -39.741
tors. eta vs tors. theta energy: 3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -269.544931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.544931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.544931 (E_RNA)
where:
Base-Base interactions energy: -88.931
where: short stacking energy: -68.910
Base-Backbone interact. energy: -0.791
local terms energy: -179.822694
where:
bonds (distance) C4'-P energy: -61.421
bonds (distance) P-C4' energy: -64.767
flat angles C4'-P-C4' energy: -37.763
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: 19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1068.027059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.027059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.027059 (E_RNA)
where:
Base-Base interactions energy: -735.126
where: short stacking energy: -289.472
Base-Backbone interact. energy: -2.526
local terms energy: -330.375659
where:
bonds (distance) C4'-P energy: -67.175
bonds (distance) P-C4' energy: -61.096
flat angles C4'-P-C4' energy: -67.652
flat angles P-C4'-P energy: -53.172
tors. eta vs tors. theta energy: -81.281
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: 76
Temperature: 0.950000
Total energy: -996.424605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.424605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.424605 (E_RNA)
where:
Base-Base interactions energy: -665.408
where: short stacking energy: -285.948
Base-Backbone interact. energy: 0.036
local terms energy: -331.052390
where:
bonds (distance) C4'-P energy: -65.086
bonds (distance) P-C4' energy: -66.160
flat angles C4'-P-C4' energy: -71.305
flat angles P-C4'-P energy: -50.748
tors. eta vs tors. theta energy: -77.754
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: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -958.405149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.405149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.405149 (E_RNA)
where:
Base-Base interactions energy: -629.986
where: short stacking energy: -277.742
Base-Backbone interact. energy: -0.039
local terms energy: -328.380476
where:
bonds (distance) C4'-P energy: -67.604
bonds (distance) P-C4' energy: -70.760
flat angles C4'-P-C4' energy: -63.527
flat angles P-C4'-P energy: -42.060
tors. eta vs tors. theta energy: -84.430
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: 76
Temperature: 1.050000
Total energy: -892.363516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.363516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.363516 (E_RNA)
where:
Base-Base interactions energy: -588.995
where: short stacking energy: -250.155
Base-Backbone interact. energy: -1.257
local terms energy: -302.111971
where:
bonds (distance) C4'-P energy: -59.762
bonds (distance) P-C4' energy: -61.305
flat angles C4'-P-C4' energy: -62.327
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -79.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -797.577985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.577985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.577985 (E_RNA)
where:
Base-Base interactions energy: -499.034
where: short stacking energy: -212.100
Base-Backbone interact. energy: -2.037
local terms energy: -296.506458
where:
bonds (distance) C4'-P energy: -56.810
bonds (distance) P-C4' energy: -64.730
flat angles C4'-P-C4' energy: -66.879
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: -65.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -760.317598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.317598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.317598 (E_RNA)
where:
Base-Base interactions energy: -479.164
where: short stacking energy: -205.134
Base-Backbone interact. energy: -0.424
local terms energy: -280.728948
where:
bonds (distance) C4'-P energy: -53.705
bonds (distance) P-C4' energy: -68.710
flat angles C4'-P-C4' energy: -64.362
flat angles P-C4'-P energy: -43.129
tors. eta vs tors. theta energy: -50.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -543.959398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.959398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.959398 (E_RNA)
where:
Base-Base interactions energy: -305.842
where: short stacking energy: -150.111
Base-Backbone interact. energy: -1.994
local terms energy: -236.123134
where:
bonds (distance) C4'-P energy: -62.811
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -55.159
flat angles P-C4'-P energy: -37.308
tors. eta vs tors. theta energy: -23.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -409.689280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.689280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.689280 (E_RNA)
where:
Base-Base interactions energy: -188.643
where: short stacking energy: -114.193
Base-Backbone interact. energy: 0.228
local terms energy: -221.273877
where:
bonds (distance) C4'-P energy: -52.905
bonds (distance) P-C4' energy: -55.783
flat angles C4'-P-C4' energy: -66.475
flat angles P-C4'-P energy: -35.494
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -292.561083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.561083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.561083 (E_RNA)
where:
Base-Base interactions energy: -121.239
where: short stacking energy: -76.904
Base-Backbone interact. energy: -2.412
local terms energy: -168.910095
where:
bonds (distance) C4'-P energy: -36.704
bonds (distance) P-C4' energy: -61.547
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -34.283
tors. eta vs tors. theta energy: 9.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -257.441719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.441719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.441719 (E_RNA)
where:
Base-Base interactions energy: -83.195
where: short stacking energy: -57.863
Base-Backbone interact. energy: 4.822
local terms energy: -179.068710
where:
bonds (distance) C4'-P energy: -59.282
bonds (distance) P-C4' energy: -54.048
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -25.592
tors. eta vs tors. theta energy: 7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1097.151145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.151145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.151145 (E_RNA)
where:
Base-Base interactions energy: -738.015
where: short stacking energy: -305.397
Base-Backbone interact. energy: -1.040
local terms energy: -358.095727
where:
bonds (distance) C4'-P energy: -66.891
bonds (distance) P-C4' energy: -72.890
flat angles C4'-P-C4' energy: -72.596
flat angles P-C4'-P energy: -50.614
tors. eta vs tors. theta energy: -95.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1023.533177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.533177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.533177 (E_RNA)
where:
Base-Base interactions energy: -680.642
where: short stacking energy: -321.129
Base-Backbone interact. energy: 0.970
local terms energy: -343.861420
where:
bonds (distance) C4'-P energy: -64.402
bonds (distance) P-C4' energy: -68.088
flat angles C4'-P-C4' energy: -69.072
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: -95.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -932.427109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.427109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.427109 (E_RNA)
where:
Base-Base interactions energy: -617.600
where: short stacking energy: -255.250
Base-Backbone interact. energy: -2.269
local terms energy: -312.557786
where:
bonds (distance) C4'-P energy: -69.548
bonds (distance) P-C4' energy: -68.261
flat angles C4'-P-C4' energy: -67.463
flat angles P-C4'-P energy: -32.392
tors. eta vs tors. theta energy: -74.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -831.264160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.264160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.264160 (E_RNA)
where:
Base-Base interactions energy: -553.656
where: short stacking energy: -244.994
Base-Backbone interact. energy: -0.697
local terms energy: -276.911631
where:
bonds (distance) C4'-P energy: -51.286
bonds (distance) P-C4' energy: -52.248
flat angles C4'-P-C4' energy: -58.917
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: -75.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -822.678273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.678273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.678273 (E_RNA)
where:
Base-Base interactions energy: -520.283
where: short stacking energy: -232.041
Base-Backbone interact. energy: -0.158
local terms energy: -302.237134
where:
bonds (distance) C4'-P energy: -63.839
bonds (distance) P-C4' energy: -54.273
flat angles C4'-P-C4' energy: -71.987
flat angles P-C4'-P energy: -44.804
tors. eta vs tors. theta energy: -67.334
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: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -659.364291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.364291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.364291 (E_RNA)
where:
Base-Base interactions energy: -375.799
where: short stacking energy: -203.427
Base-Backbone interact. energy: 4.780
local terms energy: -288.345041
where:
bonds (distance) C4'-P energy: -52.129
bonds (distance) P-C4' energy: -69.694
flat angles C4'-P-C4' energy: -68.023
flat angles P-C4'-P energy: -47.390
tors. eta vs tors. theta energy: -51.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -559.908105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.908105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.908105 (E_RNA)
where:
Base-Base interactions energy: -310.721
where: short stacking energy: -168.826
Base-Backbone interact. energy: -0.822
local terms energy: -248.365109
where:
bonds (distance) C4'-P energy: -67.357
bonds (distance) P-C4' energy: -54.159
flat angles C4'-P-C4' energy: -59.851
flat angles P-C4'-P energy: -35.139
tors. eta vs tors. theta energy: -31.860
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: 77
Temperature: 1.250000
Total energy: -365.132093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.132093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.132093 (E_RNA)
where:
Base-Base interactions energy: -162.778
where: short stacking energy: -109.625
Base-Backbone interact. energy: -1.143
local terms energy: -201.210517
where:
bonds (distance) C4'-P energy: -61.548
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -50.841
flat angles P-C4'-P energy: -20.950
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -293.259967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.259967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.259967 (E_RNA)
where:
Base-Base interactions energy: -95.419
where: short stacking energy: -79.731
Base-Backbone interact. energy: 0.227
local terms energy: -198.067459
where:
bonds (distance) C4'-P energy: -59.000
bonds (distance) P-C4' energy: -54.219
flat angles C4'-P-C4' energy: -59.044
flat angles P-C4'-P energy: -40.344
tors. eta vs tors. theta energy: 14.540
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: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -288.612379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.612379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.612379 (E_RNA)
where:
Base-Base interactions energy: -100.373
where: short stacking energy: -66.191
Base-Backbone interact. energy: -2.328
local terms energy: -185.910600
where:
bonds (distance) C4'-P energy: -47.468
bonds (distance) P-C4' energy: -53.152
flat angles C4'-P-C4' energy: -47.998
flat angles P-C4'-P energy: -31.831
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1083.234168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.234168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.234168 (E_RNA)
where:
Base-Base interactions energy: -718.564
where: short stacking energy: -289.371
Base-Backbone interact. energy: -0.232
local terms energy: -364.437654
where:
bonds (distance) C4'-P energy: -70.591
bonds (distance) P-C4' energy: -79.300
flat angles C4'-P-C4' energy: -73.460
flat angles P-C4'-P energy: -51.945
tors. eta vs tors. theta energy: -89.142
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: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -972.975321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.975321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.975321 (E_RNA)
where:
Base-Base interactions energy: -654.564
where: short stacking energy: -297.729
Base-Backbone interact. energy: -1.120
local terms energy: -317.291735
where:
bonds (distance) C4'-P energy: -55.830
bonds (distance) P-C4' energy: -65.015
flat angles C4'-P-C4' energy: -68.653
flat angles P-C4'-P energy: -41.822
tors. eta vs tors. theta energy: -85.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -950.868216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.868216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.868216 (E_RNA)
where:
Base-Base interactions energy: -647.152
where: short stacking energy: -266.024
Base-Backbone interact. energy: -2.373
local terms energy: -301.343058
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -54.579
flat angles C4'-P-C4' energy: -71.872
flat angles P-C4'-P energy: -48.258
tors. eta vs tors. theta energy: -72.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -835.474266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.474266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.474266 (E_RNA)
where:
Base-Base interactions energy: -538.880
where: short stacking energy: -236.103
Base-Backbone interact. energy: -2.093
local terms energy: -294.501573
where:
bonds (distance) C4'-P energy: -62.386
bonds (distance) P-C4' energy: -62.051
flat angles C4'-P-C4' energy: -69.176
flat angles P-C4'-P energy: -38.857
tors. eta vs tors. theta energy: -62.031
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: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -816.079538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.079538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.079538 (E_RNA)
where:
Base-Base interactions energy: -515.531
where: short stacking energy: -240.006
Base-Backbone interact. energy: -0.134
local terms energy: -300.414296
where:
bonds (distance) C4'-P energy: -53.636
bonds (distance) P-C4' energy: -69.946
flat angles C4'-P-C4' energy: -69.148
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -69.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -690.684436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.684436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.684436 (E_RNA)
where:
Base-Base interactions energy: -416.533
where: short stacking energy: -189.894
Base-Backbone interact. energy: -2.034
local terms energy: -272.117210
where:
bonds (distance) C4'-P energy: -62.633
bonds (distance) P-C4' energy: -64.638
flat angles C4'-P-C4' energy: -64.986
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -46.472
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: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -509.681403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.681403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.681403 (E_RNA)
where:
Base-Base interactions energy: -269.287
where: short stacking energy: -134.511
Base-Backbone interact. energy: -2.056
local terms energy: -238.337929
where:
bonds (distance) C4'-P energy: -62.627
bonds (distance) P-C4' energy: -60.122
flat angles C4'-P-C4' energy: -51.054
flat angles P-C4'-P energy: -45.215
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -359.763809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.763809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.763809 (E_RNA)
where:
Base-Base interactions energy: -138.358
where: short stacking energy: -85.110
Base-Backbone interact. energy: 0.341
local terms energy: -221.746530
where:
bonds (distance) C4'-P energy: -60.563
bonds (distance) P-C4' energy: -62.046
flat angles C4'-P-C4' energy: -56.637
flat angles P-C4'-P energy: -42.618
tors. eta vs tors. theta energy: 0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -305.976267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.976267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.976267 (E_RNA)
where:
Base-Base interactions energy: -110.693
where: short stacking energy: -92.807
Base-Backbone interact. energy: -1.434
local terms energy: -193.849690
where:
bonds (distance) C4'-P energy: -56.065
bonds (distance) P-C4' energy: -53.108
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -37.001
tors. eta vs tors. theta energy: 0.046
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: 3
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -282.591518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.591518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.591518 (E_RNA)
where:
Base-Base interactions energy: -120.566
where: short stacking energy: -85.553
Base-Backbone interact. energy: -1.525
local terms energy: -160.500049
where:
bonds (distance) C4'-P energy: -49.118
bonds (distance) P-C4' energy: -59.079
flat angles C4'-P-C4' energy: -46.105
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: 13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1062.340911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.340911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.340911 (E_RNA)
where:
Base-Base interactions energy: -712.215
where: short stacking energy: -309.443
Base-Backbone interact. energy: 1.847
local terms energy: -351.973177
where:
bonds (distance) C4'-P energy: -68.546
bonds (distance) P-C4' energy: -57.851
flat angles C4'-P-C4' energy: -75.724
flat angles P-C4'-P energy: -64.530
tors. eta vs tors. theta energy: -85.321
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: 2, replica: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1017.904748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.904748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.904748 (E_RNA)
where:
Base-Base interactions energy: -673.284
where: short stacking energy: -296.581
Base-Backbone interact. energy: -1.129
local terms energy: -343.492047
where:
bonds (distance) C4'-P energy: -58.880
bonds (distance) P-C4' energy: -59.408
flat angles C4'-P-C4' energy: -74.163
flat angles P-C4'-P energy: -49.025
tors. eta vs tors. theta energy: -102.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -950.390728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.390728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.390728 (E_RNA)
where:
Base-Base interactions energy: -620.919
where: short stacking energy: -281.887
Base-Backbone interact. energy: 0.008
local terms energy: -329.479323
where:
bonds (distance) C4'-P energy: -70.496
bonds (distance) P-C4' energy: -63.894
flat angles C4'-P-C4' energy: -72.659
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -79.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -889.467169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.467169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.467169 (E_RNA)
where:
Base-Base interactions energy: -590.839
where: short stacking energy: -241.191
Base-Backbone interact. energy: -1.411
local terms energy: -297.216929
where:
bonds (distance) C4'-P energy: -57.717
bonds (distance) P-C4' energy: -65.035
flat angles C4'-P-C4' energy: -57.441
flat angles P-C4'-P energy: -44.366
tors. eta vs tors. theta energy: -72.659
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: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -821.088298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.088298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.088298 (E_RNA)
where:
Base-Base interactions energy: -529.403
where: short stacking energy: -239.871
Base-Backbone interact. energy: -0.471
local terms energy: -291.213798
where:
bonds (distance) C4'-P energy: -59.539
bonds (distance) P-C4' energy: -50.553
flat angles C4'-P-C4' energy: -64.779
flat angles P-C4'-P energy: -47.852
tors. eta vs tors. theta energy: -68.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -701.825195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.825195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.825195 (E_RNA)
where:
Base-Base interactions energy: -434.562
where: short stacking energy: -206.951
Base-Backbone interact. energy: 0.210
local terms energy: -267.473886
where:
bonds (distance) C4'-P energy: -53.464
bonds (distance) P-C4' energy: -60.692
flat angles C4'-P-C4' energy: -58.030
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: -56.727
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: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -533.274501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.274501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.274501 (E_RNA)
where:
Base-Base interactions energy: -310.281
where: short stacking energy: -167.058
Base-Backbone interact. energy: -1.365
local terms energy: -221.628626
where:
bonds (distance) C4'-P energy: -53.421
bonds (distance) P-C4' energy: -53.723
flat angles C4'-P-C4' energy: -45.642
flat angles P-C4'-P energy: -36.531
tors. eta vs tors. theta energy: -32.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -347.958694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.958694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.958694 (E_RNA)
where:
Base-Base interactions energy: -141.102
where: short stacking energy: -113.464
Base-Backbone interact. energy: -0.664
local terms energy: -206.192853
where:
bonds (distance) C4'-P energy: -53.421
bonds (distance) P-C4' energy: -67.485
flat angles C4'-P-C4' energy: -44.839
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -285.914537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.914537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.914537 (E_RNA)
where:
Base-Base interactions energy: -102.566
where: short stacking energy: -71.529
Base-Backbone interact. energy: -1.892
local terms energy: -181.455947
where:
bonds (distance) C4'-P energy: -65.388
bonds (distance) P-C4' energy: -51.835
flat angles C4'-P-C4' energy: -41.784
flat angles P-C4'-P energy: -32.321
tors. eta vs tors. theta energy: 9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -293.248371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.248371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.248371 (E_RNA)
where:
Base-Base interactions energy: -96.096
where: short stacking energy: -69.705
Base-Backbone interact. energy: 0.621
local terms energy: -197.773551
where:
bonds (distance) C4'-P energy: -54.002
bonds (distance) P-C4' energy: -69.521
flat angles C4'-P-C4' energy: -53.658
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: 7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1075.116511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.116511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.116511 (E_RNA)
where:
Base-Base interactions energy: -725.950
where: short stacking energy: -309.353
Base-Backbone interact. energy: 0.434
local terms energy: -349.600257
where:
bonds (distance) C4'-P energy: -58.489
bonds (distance) P-C4' energy: -64.887
flat angles C4'-P-C4' energy: -76.405
flat angles P-C4'-P energy: -55.147
tors. eta vs tors. theta energy: -94.672
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: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1045.478757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.478757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.478757 (E_RNA)
where:
Base-Base interactions energy: -693.045
where: short stacking energy: -303.769
Base-Backbone interact. energy: -2.508
local terms energy: -349.925633
where:
bonds (distance) C4'-P energy: -64.486
bonds (distance) P-C4' energy: -73.554
flat angles C4'-P-C4' energy: -71.547
flat angles P-C4'-P energy: -46.758
tors. eta vs tors. theta energy: -93.581
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: 80
Temperature: 1.000000
Total energy: -918.100004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.100004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.100004 (E_RNA)
where:
Base-Base interactions energy: -596.342
where: short stacking energy: -280.022
Base-Backbone interact. energy: 0.289
local terms energy: -322.046895
where:
bonds (distance) C4'-P energy: -52.061
bonds (distance) P-C4' energy: -69.010
flat angles C4'-P-C4' energy: -66.336
flat angles P-C4'-P energy: -52.998
tors. eta vs tors. theta energy: -81.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -905.146443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.146443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.146443 (E_RNA)
where:
Base-Base interactions energy: -597.522
where: short stacking energy: -264.940
Base-Backbone interact. energy: -3.079
local terms energy: -304.545619
where:
bonds (distance) C4'-P energy: -61.914
bonds (distance) P-C4' energy: -62.899
flat angles C4'-P-C4' energy: -56.437
flat angles P-C4'-P energy: -48.606
tors. eta vs tors. theta energy: -74.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -769.148289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.148289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.148289 (E_RNA)
where:
Base-Base interactions energy: -497.687
where: short stacking energy: -219.443
Base-Backbone interact. energy: 0.334
local terms energy: -271.795240
where:
bonds (distance) C4'-P energy: -51.137
bonds (distance) P-C4' energy: -64.227
flat angles C4'-P-C4' energy: -64.165
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -52.293
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: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -715.246498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.246498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.246498 (E_RNA)
where:
Base-Base interactions energy: -438.407
where: short stacking energy: -210.863
Base-Backbone interact. energy: -2.099
local terms energy: -274.739749
where:
bonds (distance) C4'-P energy: -56.788
bonds (distance) P-C4' energy: -61.436
flat angles C4'-P-C4' energy: -70.053
flat angles P-C4'-P energy: -29.061
tors. eta vs tors. theta energy: -57.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -562.670867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.670867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.670867 (E_RNA)
where:
Base-Base interactions energy: -337.380
where: short stacking energy: -163.154
Base-Backbone interact. energy: -1.253
local terms energy: -224.037374
where:
bonds (distance) C4'-P energy: -53.438
bonds (distance) P-C4' energy: -56.761
flat angles C4'-P-C4' energy: -47.367
flat angles P-C4'-P energy: -34.272
tors. eta vs tors. theta energy: -32.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -306.408851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.408851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.408851 (E_RNA)
where:
Base-Base interactions energy: -122.374
where: short stacking energy: -95.717
Base-Backbone interact. energy: -1.772
local terms energy: -182.262551
where:
bonds (distance) C4'-P energy: -54.964
bonds (distance) P-C4' energy: -62.756
flat angles C4'-P-C4' energy: -41.069
flat angles P-C4'-P energy: -31.864
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: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -290.197061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.197061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.197061 (E_RNA)
where:
Base-Base interactions energy: -100.415
where: short stacking energy: -92.296
Base-Backbone interact. energy: -0.960
local terms energy: -188.822000
where:
bonds (distance) C4'-P energy: -58.225
bonds (distance) P-C4' energy: -54.975
flat angles C4'-P-C4' energy: -59.313
flat angles P-C4'-P energy: -31.227
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: 10, replica: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -273.013170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.013170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.013170 (E_RNA)
where:
Base-Base interactions energy: -86.943
where: short stacking energy: -78.114
Base-Backbone interact. energy: -2.832
local terms energy: -183.237373
where:
bonds (distance) C4'-P energy: -55.091
bonds (distance) P-C4' energy: -62.336
flat angles C4'-P-C4' energy: -45.529
flat angles P-C4'-P energy: -39.315
tors. eta vs tors. theta energy: 19.033
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: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1068.141495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.141495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.141495 (E_RNA)
where:
Base-Base interactions energy: -725.562
where: short stacking energy: -308.222
Base-Backbone interact. energy: 0.146
local terms energy: -342.726074
where:
bonds (distance) C4'-P energy: -70.602
bonds (distance) P-C4' energy: -62.174
flat angles C4'-P-C4' energy: -70.834
flat angles P-C4'-P energy: -53.116
tors. eta vs tors. theta energy: -85.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1057.833516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.833516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.833516 (E_RNA)
where:
Base-Base interactions energy: -707.641
where: short stacking energy: -324.399
Base-Backbone interact. energy: 2.838
local terms energy: -353.030520
where:
bonds (distance) C4'-P energy: -61.347
bonds (distance) P-C4' energy: -64.802
flat angles C4'-P-C4' energy: -78.273
flat angles P-C4'-P energy: -46.687
tors. eta vs tors. theta energy: -101.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -918.954788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.954788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.954788 (E_RNA)
where:
Base-Base interactions energy: -591.816
where: short stacking energy: -283.873
Base-Backbone interact. energy: -0.317
local terms energy: -326.821489
where:
bonds (distance) C4'-P energy: -53.536
bonds (distance) P-C4' energy: -71.830
flat angles C4'-P-C4' energy: -71.212
flat angles P-C4'-P energy: -49.767
tors. eta vs tors. theta energy: -80.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -881.816896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.816896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.816896 (E_RNA)
where:
Base-Base interactions energy: -550.311
where: short stacking energy: -244.952
Base-Backbone interact. energy: -1.396
local terms energy: -330.110772
where:
bonds (distance) C4'-P energy: -70.391
bonds (distance) P-C4' energy: -69.805
flat angles C4'-P-C4' energy: -73.912
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -66.722
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: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -847.091123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.091123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.091123 (E_RNA)
where:
Base-Base interactions energy: -553.178
where: short stacking energy: -240.677
Base-Backbone interact. energy: -1.027
local terms energy: -292.886077
where:
bonds (distance) C4'-P energy: -65.815
bonds (distance) P-C4' energy: -57.071
flat angles C4'-P-C4' energy: -61.673
flat angles P-C4'-P energy: -44.990
tors. eta vs tors. theta energy: -63.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -726.059887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.059887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.059887 (E_RNA)
where:
Base-Base interactions energy: -448.215
where: short stacking energy: -221.186
Base-Backbone interact. energy: -1.213
local terms energy: -276.632467
where:
bonds (distance) C4'-P energy: -67.086
bonds (distance) P-C4' energy: -46.239
flat angles C4'-P-C4' energy: -64.804
flat angles P-C4'-P energy: -42.439
tors. eta vs tors. theta energy: -56.065
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: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -508.670409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.670409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.670409 (E_RNA)
where:
Base-Base interactions energy: -286.468
where: short stacking energy: -151.006
Base-Backbone interact. energy: 1.401
local terms energy: -223.603296
where:
bonds (distance) C4'-P energy: -47.463
bonds (distance) P-C4' energy: -52.781
flat angles C4'-P-C4' energy: -64.472
flat angles P-C4'-P energy: -42.380
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -304.640489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.640489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.640489 (E_RNA)
where:
Base-Base interactions energy: -98.798
where: short stacking energy: -86.266
Base-Backbone interact. energy: -0.907
local terms energy: -204.936330
where:
bonds (distance) C4'-P energy: -60.981
bonds (distance) P-C4' energy: -61.190
flat angles C4'-P-C4' energy: -55.256
flat angles P-C4'-P energy: -31.082
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: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -319.825574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.825574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.825574 (E_RNA)
where:
Base-Base interactions energy: -114.886
where: short stacking energy: -80.053
Base-Backbone interact. energy: -0.842
local terms energy: -204.097496
where:
bonds (distance) C4'-P energy: -57.118
bonds (distance) P-C4' energy: -59.745
flat angles C4'-P-C4' energy: -57.394
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: 3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -262.731943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.731943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.731943 (E_RNA)
where:
Base-Base interactions energy: -84.103
where: short stacking energy: -74.227
Base-Backbone interact. energy: -1.049
local terms energy: -177.579917
where:
bonds (distance) C4'-P energy: -51.900
bonds (distance) P-C4' energy: -62.286
flat angles C4'-P-C4' energy: -56.974
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: 14.996
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: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1104.167963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.167963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.167963 (E_RNA)
where:
Base-Base interactions energy: -741.396
where: short stacking energy: -321.839
Base-Backbone interact. energy: -0.098
local terms energy: -362.673819
where:
bonds (distance) C4'-P energy: -74.762
bonds (distance) P-C4' energy: -67.999
flat angles C4'-P-C4' energy: -74.950
flat angles P-C4'-P energy: -48.609
tors. eta vs tors. theta energy: -96.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1035.766179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.766179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.766179 (E_RNA)
where:
Base-Base interactions energy: -715.033
where: short stacking energy: -287.249
Base-Backbone interact. energy: -1.425
local terms energy: -319.308579
where:
bonds (distance) C4'-P energy: -58.631
bonds (distance) P-C4' energy: -66.501
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -44.152
tors. eta vs tors. theta energy: -78.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -928.410443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.410443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.410443 (E_RNA)
where:
Base-Base interactions energy: -600.697
where: short stacking energy: -272.282
Base-Backbone interact. energy: -0.509
local terms energy: -327.204823
where:
bonds (distance) C4'-P energy: -58.821
bonds (distance) P-C4' energy: -73.371
flat angles C4'-P-C4' energy: -63.894
flat angles P-C4'-P energy: -50.599
tors. eta vs tors. theta energy: -80.520
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: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -901.435396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.435396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.435396 (E_RNA)
where:
Base-Base interactions energy: -591.906
where: short stacking energy: -251.030
Base-Backbone interact. energy: -0.805
local terms energy: -308.724668
where:
bonds (distance) C4'-P energy: -51.606
bonds (distance) P-C4' energy: -68.850
flat angles C4'-P-C4' energy: -74.949
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -72.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -811.645463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.645463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.645463 (E_RNA)
where:
Base-Base interactions energy: -533.985
where: short stacking energy: -215.781
Base-Backbone interact. energy: -1.836
local terms energy: -275.825295
where:
bonds (distance) C4'-P energy: -72.295
bonds (distance) P-C4' energy: -69.547
flat angles C4'-P-C4' energy: -51.279
flat angles P-C4'-P energy: -38.383
tors. eta vs tors. theta energy: -44.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -804.955508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.955508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.955508 (E_RNA)
where:
Base-Base interactions energy: -524.008
where: short stacking energy: -215.565
Base-Backbone interact. energy: -1.115
local terms energy: -279.832282
where:
bonds (distance) C4'-P energy: -68.624
bonds (distance) P-C4' energy: -58.781
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -40.339
tors. eta vs tors. theta energy: -56.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -493.192987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.192987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.192987 (E_RNA)
where:
Base-Base interactions energy: -272.431
where: short stacking energy: -141.692
Base-Backbone interact. energy: -0.820
local terms energy: -219.941437
where:
bonds (distance) C4'-P energy: -55.301
bonds (distance) P-C4' energy: -59.990
flat angles C4'-P-C4' energy: -51.313
flat angles P-C4'-P energy: -33.684
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: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -355.677256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.677256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.677256 (E_RNA)
where:
Base-Base interactions energy: -145.677
where: short stacking energy: -107.771
Base-Backbone interact. energy: -1.935
local terms energy: -208.064717
where:
bonds (distance) C4'-P energy: -51.318
bonds (distance) P-C4' energy: -55.260
flat angles C4'-P-C4' energy: -63.752
flat angles P-C4'-P energy: -28.437
tors. eta vs tors. theta energy: -9.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -294.228800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.228800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.228800 (E_RNA)
where:
Base-Base interactions energy: -98.998
where: short stacking energy: -98.095
Base-Backbone interact. energy: -1.555
local terms energy: -193.675170
where:
bonds (distance) C4'-P energy: -48.120
bonds (distance) P-C4' energy: -49.389
flat angles C4'-P-C4' energy: -52.428
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -262.224354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.224354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.224354 (E_RNA)
where:
Base-Base interactions energy: -85.082
where: short stacking energy: -60.187
Base-Backbone interact. energy: -0.824
local terms energy: -176.317661
where:
bonds (distance) C4'-P energy: -55.650
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -50.824
flat angles P-C4'-P energy: -32.937
tors. eta vs tors. theta energy: 20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1070.206721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.206721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.206721 (E_RNA)
where:
Base-Base interactions energy: -726.512
where: short stacking energy: -297.877
Base-Backbone interact. energy: -1.156
local terms energy: -342.538800
where:
bonds (distance) C4'-P energy: -64.690
bonds (distance) P-C4' energy: -68.106
flat angles C4'-P-C4' energy: -72.369
flat angles P-C4'-P energy: -46.956
tors. eta vs tors. theta energy: -90.417
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: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1037.347157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.347157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.347157 (E_RNA)
where:
Base-Base interactions energy: -700.707
where: short stacking energy: -305.251
Base-Backbone interact. energy: -1.599
local terms energy: -335.040734
where:
bonds (distance) C4'-P energy: -67.216
bonds (distance) P-C4' energy: -67.868
flat angles C4'-P-C4' energy: -67.158
flat angles P-C4'-P energy: -43.572
tors. eta vs tors. theta energy: -89.227
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: 83
Temperature: 1.000000
Total energy: -916.191437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.191437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.191437 (E_RNA)
where:
Base-Base interactions energy: -579.150
where: short stacking energy: -248.966
Base-Backbone interact. energy: -0.755
local terms energy: -336.286288
where:
bonds (distance) C4'-P energy: -73.122
bonds (distance) P-C4' energy: -74.624
flat angles C4'-P-C4' energy: -65.815
flat angles P-C4'-P energy: -49.648
tors. eta vs tors. theta energy: -73.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -890.154725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.154725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.154725 (E_RNA)
where:
Base-Base interactions energy: -572.084
where: short stacking energy: -253.216
Base-Backbone interact. energy: -0.917
local terms energy: -317.153410
where:
bonds (distance) C4'-P energy: -65.980
bonds (distance) P-C4' energy: -69.150
flat angles C4'-P-C4' energy: -68.621
flat angles P-C4'-P energy: -49.519
tors. eta vs tors. theta energy: -63.883
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: 83
Temperature: 1.100000
Total energy: -830.349238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.349238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.349238 (E_RNA)
where:
Base-Base interactions energy: -540.178
where: short stacking energy: -245.841
Base-Backbone interact. energy: 2.814
local terms energy: -292.984874
where:
bonds (distance) C4'-P energy: -60.185
bonds (distance) P-C4' energy: -59.357
flat angles C4'-P-C4' energy: -62.179
flat angles P-C4'-P energy: -52.212
tors. eta vs tors. theta energy: -59.052
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: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -742.797475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.797475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.797475 (E_RNA)
where:
Base-Base interactions energy: -462.436
where: short stacking energy: -201.466
Base-Backbone interact. energy: -0.220
local terms energy: -280.141818
where:
bonds (distance) C4'-P energy: -63.657
bonds (distance) P-C4' energy: -65.429
flat angles C4'-P-C4' energy: -59.727
flat angles P-C4'-P energy: -40.981
tors. eta vs tors. theta energy: -50.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -493.069662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.069662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.069662 (E_RNA)
where:
Base-Base interactions energy: -260.857
where: short stacking energy: -158.318
Base-Backbone interact. energy: -0.460
local terms energy: -231.752464
where:
bonds (distance) C4'-P energy: -58.991
bonds (distance) P-C4' energy: -62.937
flat angles C4'-P-C4' energy: -45.507
flat angles P-C4'-P energy: -43.736
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -311.037037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.037037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.037037 (E_RNA)
where:
Base-Base interactions energy: -109.111
where: short stacking energy: -87.425
Base-Backbone interact. energy: 1.800
local terms energy: -203.725790
where:
bonds (distance) C4'-P energy: -54.244
bonds (distance) P-C4' energy: -60.442
flat angles C4'-P-C4' energy: -52.188
flat angles P-C4'-P energy: -39.012
tors. eta vs tors. theta energy: 2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -285.054812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.054812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.054812 (E_RNA)
where:
Base-Base interactions energy: -90.522
where: short stacking energy: -71.644
Base-Backbone interact. energy: -1.834
local terms energy: -192.699107
where:
bonds (distance) C4'-P energy: -52.833
bonds (distance) P-C4' energy: -56.426
flat angles C4'-P-C4' energy: -56.869
flat angles P-C4'-P energy: -30.619
tors. eta vs tors. theta energy: 4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -271.601770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.601770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.601770 (E_RNA)
where:
Base-Base interactions energy: -78.286
where: short stacking energy: -49.765
Base-Backbone interact. energy: -1.067
local terms energy: -192.249131
where:
bonds (distance) C4'-P energy: -53.045
bonds (distance) P-C4' energy: -62.519
flat angles C4'-P-C4' energy: -50.390
flat angles P-C4'-P energy: -32.682
tors. eta vs tors. theta energy: 6.387
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: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1072.131052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.131052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.131052 (E_RNA)
where:
Base-Base interactions energy: -723.585
where: short stacking energy: -311.549
Base-Backbone interact. energy: -0.808
local terms energy: -347.738204
where:
bonds (distance) C4'-P energy: -65.781
bonds (distance) P-C4' energy: -68.908
flat angles C4'-P-C4' energy: -71.628
flat angles P-C4'-P energy: -52.113
tors. eta vs tors. theta energy: -89.309
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: 84
Temperature: 0.950000
Total energy: -1036.514518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.514518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.514518 (E_RNA)
where:
Base-Base interactions energy: -714.720
where: short stacking energy: -287.172
Base-Backbone interact. energy: -1.737
local terms energy: -320.058176
where:
bonds (distance) C4'-P energy: -64.616
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -76.021
flat angles P-C4'-P energy: -41.838
tors. eta vs tors. theta energy: -77.384
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: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -944.138068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.138068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.138068 (E_RNA)
where:
Base-Base interactions energy: -599.425
where: short stacking energy: -272.167
Base-Backbone interact. energy: -0.742
local terms energy: -343.971523
where:
bonds (distance) C4'-P energy: -67.840
bonds (distance) P-C4' energy: -74.541
flat angles C4'-P-C4' energy: -71.331
flat angles P-C4'-P energy: -41.134
tors. eta vs tors. theta energy: -89.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -898.769866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.769866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.769866 (E_RNA)
where:
Base-Base interactions energy: -588.214
where: short stacking energy: -256.699
Base-Backbone interact. energy: -1.124
local terms energy: -309.432118
where:
bonds (distance) C4'-P energy: -67.093
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -65.144
flat angles P-C4'-P energy: -41.283
tors. eta vs tors. theta energy: -72.813
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: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -747.493200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.493200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.493200 (E_RNA)
where:
Base-Base interactions energy: -498.064
where: short stacking energy: -199.509
Base-Backbone interact. energy: -2.797
local terms energy: -246.632772
where:
bonds (distance) C4'-P energy: -54.681
bonds (distance) P-C4' energy: -49.086
flat angles C4'-P-C4' energy: -58.247
flat angles P-C4'-P energy: -38.253
tors. eta vs tors. theta energy: -46.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -741.907114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.907114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.907114 (E_RNA)
where:
Base-Base interactions energy: -473.066
where: short stacking energy: -212.093
Base-Backbone interact. energy: -1.599
local terms energy: -267.242771
where:
bonds (distance) C4'-P energy: -47.490
bonds (distance) P-C4' energy: -68.816
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -42.030
tors. eta vs tors. theta energy: -60.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -486.554195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.554195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.554195 (E_RNA)
where:
Base-Base interactions energy: -255.552
where: short stacking energy: -149.177
Base-Backbone interact. energy: -0.267
local terms energy: -230.735209
where:
bonds (distance) C4'-P energy: -56.071
bonds (distance) P-C4' energy: -61.532
flat angles C4'-P-C4' energy: -60.770
flat angles P-C4'-P energy: -20.616
tors. eta vs tors. theta energy: -31.747
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: 84
Temperature: 1.250000
Total energy: -315.980080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.980080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.980080 (E_RNA)
where:
Base-Base interactions energy: -109.212
where: short stacking energy: -83.720
Base-Backbone interact. energy: -0.905
local terms energy: -205.862925
where:
bonds (distance) C4'-P energy: -63.498
bonds (distance) P-C4' energy: -60.070
flat angles C4'-P-C4' energy: -44.665
flat angles P-C4'-P energy: -40.829
tors. eta vs tors. theta energy: 3.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -331.437851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.437851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.437851 (E_RNA)
where:
Base-Base interactions energy: -105.479
where: short stacking energy: -85.821
Base-Backbone interact. energy: 2.451
local terms energy: -228.409651
where:
bonds (distance) C4'-P energy: -68.943
bonds (distance) P-C4' energy: -59.105
flat angles C4'-P-C4' energy: -67.473
flat angles P-C4'-P energy: -34.928
tors. eta vs tors. theta energy: 2.039
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: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -270.065810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.065810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.065810 (E_RNA)
where:
Base-Base interactions energy: -92.399
where: short stacking energy: -62.749
Base-Backbone interact. energy: 0.405
local terms energy: -178.071730
where:
bonds (distance) C4'-P energy: -48.123
bonds (distance) P-C4' energy: -63.098
flat angles C4'-P-C4' energy: -53.828
flat angles P-C4'-P energy: -26.370
tors. eta vs tors. theta energy: 13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1097.404976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.404976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.404976 (E_RNA)
where:
Base-Base interactions energy: -756.705
where: short stacking energy: -329.465
Base-Backbone interact. energy: -1.025
local terms energy: -339.675152
where:
bonds (distance) C4'-P energy: -58.247
bonds (distance) P-C4' energy: -60.185
flat angles C4'-P-C4' energy: -84.950
flat angles P-C4'-P energy: -41.217
tors. eta vs tors. theta energy: -95.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1021.089743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.089743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.089743 (E_RNA)
where:
Base-Base interactions energy: -687.250
where: short stacking energy: -269.018
Base-Backbone interact. energy: -0.722
local terms energy: -333.117573
where:
bonds (distance) C4'-P energy: -72.891
bonds (distance) P-C4' energy: -69.946
flat angles C4'-P-C4' energy: -77.417
flat angles P-C4'-P energy: -39.948
tors. eta vs tors. theta energy: -72.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -932.797724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.797724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.797724 (E_RNA)
where:
Base-Base interactions energy: -623.024
where: short stacking energy: -270.935
Base-Backbone interact. energy: -0.535
local terms energy: -309.238321
where:
bonds (distance) C4'-P energy: -72.670
bonds (distance) P-C4' energy: -48.280
flat angles C4'-P-C4' energy: -64.286
flat angles P-C4'-P energy: -49.105
tors. eta vs tors. theta energy: -74.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -916.631680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.631680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.631680 (E_RNA)
where:
Base-Base interactions energy: -611.537
where: short stacking energy: -281.321
Base-Backbone interact. energy: 1.643
local terms energy: -306.737911
where:
bonds (distance) C4'-P energy: -58.873
bonds (distance) P-C4' energy: -74.871
flat angles C4'-P-C4' energy: -61.020
flat angles P-C4'-P energy: -35.110
tors. eta vs tors. theta energy: -76.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -756.013896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.013896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.013896 (E_RNA)
where:
Base-Base interactions energy: -493.148
where: short stacking energy: -233.008
Base-Backbone interact. energy: 1.038
local terms energy: -263.903729
where:
bonds (distance) C4'-P energy: -70.982
bonds (distance) P-C4' energy: -47.599
flat angles C4'-P-C4' energy: -59.528
flat angles P-C4'-P energy: -35.910
tors. eta vs tors. theta energy: -49.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -667.533439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.533439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.533439 (E_RNA)
where:
Base-Base interactions energy: -396.757
where: short stacking energy: -184.813
Base-Backbone interact. energy: -0.616
local terms energy: -270.160123
where:
bonds (distance) C4'-P energy: -62.622
bonds (distance) P-C4' energy: -73.103
flat angles C4'-P-C4' energy: -58.334
flat angles P-C4'-P energy: -37.113
tors. eta vs tors. theta energy: -38.989
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: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -500.009998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.009998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.009998 (E_RNA)
where:
Base-Base interactions energy: -239.580
where: short stacking energy: -141.700
Base-Backbone interact. energy: -0.685
local terms energy: -259.744500
where:
bonds (distance) C4'-P energy: -55.766
bonds (distance) P-C4' energy: -72.305
flat angles C4'-P-C4' energy: -63.577
flat angles P-C4'-P energy: -35.008
tors. eta vs tors. theta energy: -33.088
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: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -334.474805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.474805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.474805 (E_RNA)
where:
Base-Base interactions energy: -114.815
where: short stacking energy: -96.852
Base-Backbone interact. energy: -1.782
local terms energy: -217.877877
where:
bonds (distance) C4'-P energy: -43.757
bonds (distance) P-C4' energy: -59.330
flat angles C4'-P-C4' energy: -64.473
flat angles P-C4'-P energy: -32.090
tors. eta vs tors. theta energy: -18.228
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: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -288.761087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.761087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.761087 (E_RNA)
where:
Base-Base interactions energy: -112.628
where: short stacking energy: -91.900
Base-Backbone interact. energy: -0.478
local terms energy: -175.654679
where:
bonds (distance) C4'-P energy: -61.161
bonds (distance) P-C4' energy: -60.967
flat angles C4'-P-C4' energy: -46.901
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: 9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -257.128229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.128229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.128229 (E_RNA)
where:
Base-Base interactions energy: -86.503
where: short stacking energy: -67.242
Base-Backbone interact. energy: -1.426
local terms energy: -169.198897
where:
bonds (distance) C4'-P energy: -54.562
bonds (distance) P-C4' energy: -60.027
flat angles C4'-P-C4' energy: -51.658
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: 9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1099.135754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.135754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.135754 (E_RNA)
where:
Base-Base interactions energy: -751.327
where: short stacking energy: -312.294
Base-Backbone interact. energy: -0.757
local terms energy: -347.051384
where:
bonds (distance) C4'-P energy: -58.728
bonds (distance) P-C4' energy: -75.663
flat angles C4'-P-C4' energy: -72.206
flat angles P-C4'-P energy: -42.618
tors. eta vs tors. theta energy: -97.836
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: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1024.558331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.558331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.558331 (E_RNA)
where:
Base-Base interactions energy: -707.663
where: short stacking energy: -278.368
Base-Backbone interact. energy: -0.903
local terms energy: -315.992216
where:
bonds (distance) C4'-P energy: -66.291
bonds (distance) P-C4' energy: -65.121
flat angles C4'-P-C4' energy: -67.111
flat angles P-C4'-P energy: -42.984
tors. eta vs tors. theta energy: -74.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -966.320256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.320256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.320256 (E_RNA)
where:
Base-Base interactions energy: -657.923
where: short stacking energy: -264.758
Base-Backbone interact. energy: -1.190
local terms energy: -307.208061
where:
bonds (distance) C4'-P energy: -54.898
bonds (distance) P-C4' energy: -65.498
flat angles C4'-P-C4' energy: -61.986
flat angles P-C4'-P energy: -49.318
tors. eta vs tors. theta energy: -75.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -871.902513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.902513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.902513 (E_RNA)
where:
Base-Base interactions energy: -570.824
where: short stacking energy: -270.289
Base-Backbone interact. energy: 0.168
local terms energy: -301.246000
where:
bonds (distance) C4'-P energy: -70.301
bonds (distance) P-C4' energy: -61.649
flat angles C4'-P-C4' energy: -52.861
flat angles P-C4'-P energy: -37.715
tors. eta vs tors. theta energy: -78.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -796.748983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.748983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.748983 (E_RNA)
where:
Base-Base interactions energy: -525.480
where: short stacking energy: -218.605
Base-Backbone interact. energy: 0.797
local terms energy: -272.066107
where:
bonds (distance) C4'-P energy: -58.057
bonds (distance) P-C4' energy: -52.060
flat angles C4'-P-C4' energy: -55.689
flat angles P-C4'-P energy: -42.554
tors. eta vs tors. theta energy: -63.707
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: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -646.732765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.732765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.732765 (E_RNA)
where:
Base-Base interactions energy: -376.094
where: short stacking energy: -195.840
Base-Backbone interact. energy: -1.505
local terms energy: -269.133451
where:
bonds (distance) C4'-P energy: -58.035
bonds (distance) P-C4' energy: -75.195
flat angles C4'-P-C4' energy: -54.449
flat angles P-C4'-P energy: -43.966
tors. eta vs tors. theta energy: -37.489
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: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -455.859791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.859791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.859791 (E_RNA)
where:
Base-Base interactions energy: -231.702
where: short stacking energy: -120.455
Base-Backbone interact. energy: -0.684
local terms energy: -223.473770
where:
bonds (distance) C4'-P energy: -49.275
bonds (distance) P-C4' energy: -50.543
flat angles C4'-P-C4' energy: -62.006
flat angles P-C4'-P energy: -43.436
tors. eta vs tors. theta energy: -18.214
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: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -326.773501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.773501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.773501 (E_RNA)
where:
Base-Base interactions energy: -133.436
where: short stacking energy: -86.535
Base-Backbone interact. energy: 0.017
local terms energy: -193.354031
where:
bonds (distance) C4'-P energy: -64.207
bonds (distance) P-C4' energy: -64.950
flat angles C4'-P-C4' energy: -36.623
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: 5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -288.178508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.178508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.178508 (E_RNA)
where:
Base-Base interactions energy: -100.132
where: short stacking energy: -76.223
Base-Backbone interact. energy: -2.019
local terms energy: -186.026747
where:
bonds (distance) C4'-P energy: -44.708
bonds (distance) P-C4' energy: -60.926
flat angles C4'-P-C4' energy: -54.231
flat angles P-C4'-P energy: -27.773
tors. eta vs tors. theta energy: 1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -283.932493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.932493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.932493 (E_RNA)
where:
Base-Base interactions energy: -127.561
where: short stacking energy: -81.574
Base-Backbone interact. energy: 2.555
local terms energy: -158.926655
where:
bonds (distance) C4'-P energy: -48.794
bonds (distance) P-C4' energy: -46.445
flat angles C4'-P-C4' energy: -41.703
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: 4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1114.596816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.596816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.596816 (E_RNA)
where:
Base-Base interactions energy: -758.363
where: short stacking energy: -319.989
Base-Backbone interact. energy: -0.776
local terms energy: -355.458390
where:
bonds (distance) C4'-P energy: -65.605
bonds (distance) P-C4' energy: -69.575
flat angles C4'-P-C4' energy: -77.738
flat angles P-C4'-P energy: -47.657
tors. eta vs tors. theta energy: -94.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1022.193500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.193500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.193500 (E_RNA)
where:
Base-Base interactions energy: -720.286
where: short stacking energy: -285.769
Base-Backbone interact. energy: -0.586
local terms energy: -301.321819
where:
bonds (distance) C4'-P energy: -61.077
bonds (distance) P-C4' energy: -59.192
flat angles C4'-P-C4' energy: -66.510
flat angles P-C4'-P energy: -40.347
tors. eta vs tors. theta energy: -74.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -960.160768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.160768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.160768 (E_RNA)
where:
Base-Base interactions energy: -636.467
where: short stacking energy: -264.576
Base-Backbone interact. energy: -0.492
local terms energy: -323.201491
where:
bonds (distance) C4'-P energy: -63.366
bonds (distance) P-C4' energy: -74.538
flat angles C4'-P-C4' energy: -72.680
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -71.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -893.897488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.897488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.897488 (E_RNA)
where:
Base-Base interactions energy: -601.438
where: short stacking energy: -252.791
Base-Backbone interact. energy: -2.866
local terms energy: -289.593053
where:
bonds (distance) C4'-P energy: -59.209
bonds (distance) P-C4' energy: -51.850
flat angles C4'-P-C4' energy: -64.601
flat angles P-C4'-P energy: -39.082
tors. eta vs tors. theta energy: -74.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -772.637812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.637812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.637812 (E_RNA)
where:
Base-Base interactions energy: -474.517
where: short stacking energy: -217.237
Base-Backbone interact. energy: -2.128
local terms energy: -295.993290
where:
bonds (distance) C4'-P energy: -49.242
bonds (distance) P-C4' energy: -63.119
flat angles C4'-P-C4' energy: -66.159
flat angles P-C4'-P energy: -50.104
tors. eta vs tors. theta energy: -67.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -608.121409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.121409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.121409 (E_RNA)
where:
Base-Base interactions energy: -377.674
where: short stacking energy: -189.592
Base-Backbone interact. energy: 1.740
local terms energy: -232.187967
where:
bonds (distance) C4'-P energy: -47.636
bonds (distance) P-C4' energy: -53.495
flat angles C4'-P-C4' energy: -52.518
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -40.702
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: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -483.916984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.916984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.916984 (E_RNA)
where:
Base-Base interactions energy: -241.613
where: short stacking energy: -149.720
Base-Backbone interact. energy: 0.240
local terms energy: -242.543376
where:
bonds (distance) C4'-P energy: -60.447
bonds (distance) P-C4' energy: -57.367
flat angles C4'-P-C4' energy: -68.137
flat angles P-C4'-P energy: -31.552
tors. eta vs tors. theta energy: -25.041
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: 87
Temperature: 1.250000
Total energy: -324.889007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.889007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.889007 (E_RNA)
where:
Base-Base interactions energy: -117.518
where: short stacking energy: -81.190
Base-Backbone interact. energy: 0.671
local terms energy: -208.041762
where:
bonds (distance) C4'-P energy: -61.091
bonds (distance) P-C4' energy: -59.194
flat angles C4'-P-C4' energy: -44.892
flat angles P-C4'-P energy: -40.951
tors. eta vs tors. theta energy: -1.915
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: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -312.815848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.815848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.815848 (E_RNA)
where:
Base-Base interactions energy: -127.544
where: short stacking energy: -85.039
Base-Backbone interact. energy: 3.573
local terms energy: -188.844829
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -60.016
flat angles C4'-P-C4' energy: -56.225
flat angles P-C4'-P energy: -25.992
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: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -263.765633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.765633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.765633 (E_RNA)
where:
Base-Base interactions energy: -87.045
where: short stacking energy: -83.882
Base-Backbone interact. energy: -3.049
local terms energy: -173.987872
where:
bonds (distance) C4'-P energy: -42.983
bonds (distance) P-C4' energy: -67.346
flat angles C4'-P-C4' energy: -46.511
flat angles P-C4'-P energy: -28.354
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: 0.316 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1105.844948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.844948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.844948 (E_RNA)
where:
Base-Base interactions energy: -744.866
where: short stacking energy: -306.626
Base-Backbone interact. energy: -0.221
local terms energy: -360.757955
where:
bonds (distance) C4'-P energy: -68.185
bonds (distance) P-C4' energy: -72.350
flat angles C4'-P-C4' energy: -72.889
flat angles P-C4'-P energy: -48.629
tors. eta vs tors. theta energy: -98.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1040.711232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.711232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.711232 (E_RNA)
where:
Base-Base interactions energy: -705.368
where: short stacking energy: -294.175
Base-Backbone interact. energy: -1.262
local terms energy: -334.081148
where:
bonds (distance) C4'-P energy: -57.445
bonds (distance) P-C4' energy: -73.242
flat angles C4'-P-C4' energy: -68.668
flat angles P-C4'-P energy: -54.519
tors. eta vs tors. theta energy: -80.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -926.338325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.338325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.338325 (E_RNA)
where:
Base-Base interactions energy: -614.845
where: short stacking energy: -267.082
Base-Backbone interact. energy: -1.215
local terms energy: -310.278762
where:
bonds (distance) C4'-P energy: -69.130
bonds (distance) P-C4' energy: -66.005
flat angles C4'-P-C4' energy: -69.153
flat angles P-C4'-P energy: -41.160
tors. eta vs tors. theta energy: -64.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -892.461275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.461275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.461275 (E_RNA)
where:
Base-Base interactions energy: -571.296
where: short stacking energy: -269.452
Base-Backbone interact. energy: -0.296
local terms energy: -320.869397
where:
bonds (distance) C4'-P energy: -56.945
bonds (distance) P-C4' energy: -72.072
flat angles C4'-P-C4' energy: -70.855
flat angles P-C4'-P energy: -44.107
tors. eta vs tors. theta energy: -76.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -797.277050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.277050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.277050 (E_RNA)
where:
Base-Base interactions energy: -511.583
where: short stacking energy: -230.919
Base-Backbone interact. energy: -0.918
local terms energy: -284.776135
where:
bonds (distance) C4'-P energy: -47.884
bonds (distance) P-C4' energy: -65.438
flat angles C4'-P-C4' energy: -65.969
flat angles P-C4'-P energy: -41.410
tors. eta vs tors. theta energy: -64.076
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: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -618.017180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.017180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.017180 (E_RNA)
where:
Base-Base interactions energy: -354.807
where: short stacking energy: -161.770
Base-Backbone interact. energy: -1.183
local terms energy: -262.027174
where:
bonds (distance) C4'-P energy: -73.494
bonds (distance) P-C4' energy: -62.306
flat angles C4'-P-C4' energy: -60.197
flat angles P-C4'-P energy: -37.967
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: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -466.014866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.014866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.014866 (E_RNA)
where:
Base-Base interactions energy: -241.152
where: short stacking energy: -136.778
Base-Backbone interact. energy: -1.319
local terms energy: -223.543392
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -54.555
flat angles C4'-P-C4' energy: -57.742
flat angles P-C4'-P energy: -46.097
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: 88
Temperature: 1.250000
Total energy: -354.259607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.259607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.259607 (E_RNA)
where:
Base-Base interactions energy: -143.617
where: short stacking energy: -99.398
Base-Backbone interact. energy: -1.656
local terms energy: -208.985762
where:
bonds (distance) C4'-P energy: -62.317
bonds (distance) P-C4' energy: -57.465
flat angles C4'-P-C4' energy: -55.000
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -291.432742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.432742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.432742 (E_RNA)
where:
Base-Base interactions energy: -116.940
where: short stacking energy: -64.036
Base-Backbone interact. energy: -0.247
local terms energy: -174.245327
where:
bonds (distance) C4'-P energy: -54.302
bonds (distance) P-C4' energy: -64.792
flat angles C4'-P-C4' energy: -51.297
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: 18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -286.161435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.161435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.161435 (E_RNA)
where:
Base-Base interactions energy: -92.384
where: short stacking energy: -67.296
Base-Backbone interact. energy: 2.123
local terms energy: -195.900080
where:
bonds (distance) C4'-P energy: -52.561
bonds (distance) P-C4' energy: -62.689
flat angles C4'-P-C4' energy: -49.599
flat angles P-C4'-P energy: -27.186
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1114.328228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.328228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.328228 (E_RNA)
where:
Base-Base interactions energy: -751.989
where: short stacking energy: -323.855
Base-Backbone interact. energy: -0.402
local terms energy: -361.937768
where:
bonds (distance) C4'-P energy: -69.342
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -80.553
flat angles P-C4'-P energy: -40.019
tors. eta vs tors. theta energy: -104.462
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: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1047.194593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.194593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.194593 (E_RNA)
where:
Base-Base interactions energy: -736.294
where: short stacking energy: -275.761
Base-Backbone interact. energy: -1.486
local terms energy: -309.414543
where:
bonds (distance) C4'-P energy: -56.240
bonds (distance) P-C4' energy: -62.416
flat angles C4'-P-C4' energy: -69.296
flat angles P-C4'-P energy: -39.896
tors. eta vs tors. theta energy: -81.567
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: 89
Temperature: 1.000000
Total energy: -923.578997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.578997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.578997 (E_RNA)
where:
Base-Base interactions energy: -620.453
where: short stacking energy: -241.935
Base-Backbone interact. energy: 1.463
local terms energy: -304.588994
where:
bonds (distance) C4'-P energy: -61.107
bonds (distance) P-C4' energy: -64.187
flat angles C4'-P-C4' energy: -70.217
flat angles P-C4'-P energy: -41.569
tors. eta vs tors. theta energy: -67.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -904.687268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.687268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.687268 (E_RNA)
where:
Base-Base interactions energy: -576.612
where: short stacking energy: -259.357
Base-Backbone interact. energy: -1.911
local terms energy: -326.164238
where:
bonds (distance) C4'-P energy: -62.978
bonds (distance) P-C4' energy: -65.491
flat angles C4'-P-C4' energy: -62.792
flat angles P-C4'-P energy: -45.766
tors. eta vs tors. theta energy: -89.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -791.228215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.228215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.228215 (E_RNA)
where:
Base-Base interactions energy: -494.049
where: short stacking energy: -223.577
Base-Backbone interact. energy: -1.934
local terms energy: -295.245221
where:
bonds (distance) C4'-P energy: -65.291
bonds (distance) P-C4' energy: -63.140
flat angles C4'-P-C4' energy: -67.644
flat angles P-C4'-P energy: -39.653
tors. eta vs tors. theta energy: -59.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -601.039262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.039262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.039262 (E_RNA)
where:
Base-Base interactions energy: -344.424
where: short stacking energy: -180.013
Base-Backbone interact. energy: -1.942
local terms energy: -254.673367
where:
bonds (distance) C4'-P energy: -50.055
bonds (distance) P-C4' energy: -68.290
flat angles C4'-P-C4' energy: -66.439
flat angles P-C4'-P energy: -40.809
tors. eta vs tors. theta energy: -29.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -497.487283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.487283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.487283 (E_RNA)
where:
Base-Base interactions energy: -273.648
where: short stacking energy: -129.717
Base-Backbone interact. energy: 1.220
local terms energy: -225.059242
where:
bonds (distance) C4'-P energy: -54.199
bonds (distance) P-C4' energy: -63.204
flat angles C4'-P-C4' energy: -61.672
flat angles P-C4'-P energy: -30.409
tors. eta vs tors. theta energy: -15.574
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: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -313.118691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.118691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.118691 (E_RNA)
where:
Base-Base interactions energy: -122.434
where: short stacking energy: -82.729
Base-Backbone interact. energy: -0.302
local terms energy: -190.383127
where:
bonds (distance) C4'-P energy: -54.208
bonds (distance) P-C4' energy: -63.272
flat angles C4'-P-C4' energy: -41.200
flat angles P-C4'-P energy: -36.352
tors. eta vs tors. theta energy: 4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -310.051759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.051759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.051759 (E_RNA)
where:
Base-Base interactions energy: -124.577
where: short stacking energy: -76.009
Base-Backbone interact. energy: -0.529
local terms energy: -184.945463
where:
bonds (distance) C4'-P energy: -59.072
bonds (distance) P-C4' energy: -53.653
flat angles C4'-P-C4' energy: -42.897
flat angles P-C4'-P energy: -37.856
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: 89
Temperature: 1.350000
Total energy: -270.179692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.179692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.179692 (E_RNA)
where:
Base-Base interactions energy: -112.446
where: short stacking energy: -67.228
Base-Backbone interact. energy: 0.541
local terms energy: -158.274760
where:
bonds (distance) C4'-P energy: -52.667
bonds (distance) P-C4' energy: -50.845
flat angles C4'-P-C4' energy: -41.407
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: 12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1107.530952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.530952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.530952 (E_RNA)
where:
Base-Base interactions energy: -726.313
where: short stacking energy: -315.048
Base-Backbone interact. energy: -0.709
local terms energy: -380.509369
where:
bonds (distance) C4'-P energy: -72.648
bonds (distance) P-C4' energy: -69.270
flat angles C4'-P-C4' energy: -78.590
flat angles P-C4'-P energy: -55.021
tors. eta vs tors. theta energy: -104.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1031.060624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.060624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.060624 (E_RNA)
where:
Base-Base interactions energy: -702.664
where: short stacking energy: -279.489
Base-Backbone interact. energy: -2.495
local terms energy: -325.902000
where:
bonds (distance) C4'-P energy: -64.086
bonds (distance) P-C4' energy: -56.430
flat angles C4'-P-C4' energy: -74.784
flat angles P-C4'-P energy: -43.824
tors. eta vs tors. theta energy: -86.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -971.216679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.216679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.216679 (E_RNA)
where:
Base-Base interactions energy: -652.569
where: short stacking energy: -269.978
Base-Backbone interact. energy: -0.284
local terms energy: -318.362971
where:
bonds (distance) C4'-P energy: -54.642
bonds (distance) P-C4' energy: -63.991
flat angles C4'-P-C4' energy: -69.422
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -86.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -899.115910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.115910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.115910 (E_RNA)
where:
Base-Base interactions energy: -591.043
where: short stacking energy: -231.200
Base-Backbone interact. energy: -0.286
local terms energy: -307.786838
where:
bonds (distance) C4'-P energy: -68.588
bonds (distance) P-C4' energy: -66.763
flat angles C4'-P-C4' energy: -69.087
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -65.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -804.947029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.947029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.947029 (E_RNA)
where:
Base-Base interactions energy: -519.642
where: short stacking energy: -245.107
Base-Backbone interact. energy: -0.234
local terms energy: -285.071006
where:
bonds (distance) C4'-P energy: -56.241
bonds (distance) P-C4' energy: -58.271
flat angles C4'-P-C4' energy: -58.493
flat angles P-C4'-P energy: -43.401
tors. eta vs tors. theta energy: -68.665
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: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -729.710278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.710278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.710278 (E_RNA)
where:
Base-Base interactions energy: -462.344
where: short stacking energy: -204.654
Base-Backbone interact. energy: -1.969
local terms energy: -265.398047
where:
bonds (distance) C4'-P energy: -55.077
bonds (distance) P-C4' energy: -61.437
flat angles C4'-P-C4' energy: -62.796
flat angles P-C4'-P energy: -31.258
tors. eta vs tors. theta energy: -54.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -542.465445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.465445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.465445 (E_RNA)
where:
Base-Base interactions energy: -296.358
where: short stacking energy: -156.501
Base-Backbone interact. energy: -0.546
local terms energy: -245.561433
where:
bonds (distance) C4'-P energy: -50.777
bonds (distance) P-C4' energy: -59.524
flat angles C4'-P-C4' energy: -65.329
flat angles P-C4'-P energy: -45.305
tors. eta vs tors. theta energy: -24.627
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: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -317.735006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.735006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.735006 (E_RNA)
where:
Base-Base interactions energy: -119.583
where: short stacking energy: -85.568
Base-Backbone interact. energy: -0.933
local terms energy: -197.219599
where:
bonds (distance) C4'-P energy: -63.571
bonds (distance) P-C4' energy: -59.530
flat angles C4'-P-C4' energy: -47.728
flat angles P-C4'-P energy: -28.117
tors. eta vs tors. theta energy: 1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -300.937539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.937539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.937539 (E_RNA)
where:
Base-Base interactions energy: -103.186
where: short stacking energy: -66.809
Base-Backbone interact. energy: 2.879
local terms energy: -200.630566
where:
bonds (distance) C4'-P energy: -58.020
bonds (distance) P-C4' energy: -55.654
flat angles C4'-P-C4' energy: -59.305
flat angles P-C4'-P energy: -35.495
tors. eta vs tors. theta energy: 7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -310.511086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.511086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.511086 (E_RNA)
where:
Base-Base interactions energy: -118.820
where: short stacking energy: -65.324
Base-Backbone interact. energy: 2.797
local terms energy: -194.487784
where:
bonds (distance) C4'-P energy: -61.993
bonds (distance) P-C4' energy: -68.414
flat angles C4'-P-C4' energy: -43.869
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: 2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1130.155083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.155083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.155083 (E_RNA)
where:
Base-Base interactions energy: -783.509
where: short stacking energy: -330.542
Base-Backbone interact. energy: -0.494
local terms energy: -346.152460
where:
bonds (distance) C4'-P energy: -60.351
bonds (distance) P-C4' energy: -55.289
flat angles C4'-P-C4' energy: -74.695
flat angles P-C4'-P energy: -55.881
tors. eta vs tors. theta energy: -99.937
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: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1049.033815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.033815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.033815 (E_RNA)
where:
Base-Base interactions energy: -712.731
where: short stacking energy: -294.818
Base-Backbone interact. energy: -0.881
local terms energy: -335.421593
where:
bonds (distance) C4'-P energy: -63.874
bonds (distance) P-C4' energy: -64.117
flat angles C4'-P-C4' energy: -78.719
flat angles P-C4'-P energy: -45.786
tors. eta vs tors. theta energy: -82.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -942.606960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.606960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.606960 (E_RNA)
where:
Base-Base interactions energy: -613.682
where: short stacking energy: -264.205
Base-Backbone interact. energy: -1.039
local terms energy: -327.886573
where:
bonds (distance) C4'-P energy: -65.850
bonds (distance) P-C4' energy: -73.222
flat angles C4'-P-C4' energy: -70.239
flat angles P-C4'-P energy: -43.141
tors. eta vs tors. theta energy: -75.435
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: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -902.622925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.622925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.622925 (E_RNA)
where:
Base-Base interactions energy: -616.217
where: short stacking energy: -245.708
Base-Backbone interact. energy: 0.013
local terms energy: -286.419005
where:
bonds (distance) C4'-P energy: -54.806
bonds (distance) P-C4' energy: -50.278
flat angles C4'-P-C4' energy: -70.964
flat angles P-C4'-P energy: -42.004
tors. eta vs tors. theta energy: -68.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -814.072964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.072964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.072964 (E_RNA)
where:
Base-Base interactions energy: -526.376
where: short stacking energy: -222.985
Base-Backbone interact. energy: 2.005
local terms energy: -289.701479
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -56.224
flat angles C4'-P-C4' energy: -65.316
flat angles P-C4'-P energy: -51.239
tors. eta vs tors. theta energy: -61.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -687.142377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.142377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.142377 (E_RNA)
where:
Base-Base interactions energy: -435.777
where: short stacking energy: -163.521
Base-Backbone interact. energy: -1.937
local terms energy: -249.428387
where:
bonds (distance) C4'-P energy: -49.737
bonds (distance) P-C4' energy: -72.459
flat angles C4'-P-C4' energy: -55.996
flat angles P-C4'-P energy: -24.736
tors. eta vs tors. theta energy: -46.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -561.250426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.250426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.250426 (E_RNA)
where:
Base-Base interactions energy: -313.898
where: short stacking energy: -169.582
Base-Backbone interact. energy: -0.679
local terms energy: -246.673127
where:
bonds (distance) C4'-P energy: -70.709
bonds (distance) P-C4' energy: -45.214
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -46.188
tors. eta vs tors. theta energy: -34.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -348.335108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.335108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.335108 (E_RNA)
where:
Base-Base interactions energy: -143.283
where: short stacking energy: -99.971
Base-Backbone interact. energy: -1.550
local terms energy: -203.502242
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -57.099
flat angles C4'-P-C4' energy: -55.005
flat angles P-C4'-P energy: -36.907
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -299.033984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.033984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.033984 (E_RNA)
where:
Base-Base interactions energy: -111.515
where: short stacking energy: -84.015
Base-Backbone interact. energy: 4.940
local terms energy: -192.458914
where:
bonds (distance) C4'-P energy: -54.121
bonds (distance) P-C4' energy: -59.596
flat angles C4'-P-C4' energy: -52.536
flat angles P-C4'-P energy: -37.884
tors. eta vs tors. theta energy: 11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -312.903306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.903306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.903306 (E_RNA)
where:
Base-Base interactions energy: -118.187
where: short stacking energy: -86.765
Base-Backbone interact. energy: -0.308
local terms energy: -194.408430
where:
bonds (distance) C4'-P energy: -53.202
bonds (distance) P-C4' energy: -62.839
flat angles C4'-P-C4' energy: -47.532
flat angles P-C4'-P energy: -29.834
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1093.461131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.461131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.461131 (E_RNA)
where:
Base-Base interactions energy: -739.683
where: short stacking energy: -322.306
Base-Backbone interact. energy: -1.667
local terms energy: -352.110818
where:
bonds (distance) C4'-P energy: -63.753
bonds (distance) P-C4' energy: -71.125
flat angles C4'-P-C4' energy: -67.994
flat angles P-C4'-P energy: -50.298
tors. eta vs tors. theta energy: -98.941
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: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1038.755856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.755856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.755856 (E_RNA)
where:
Base-Base interactions energy: -716.581
where: short stacking energy: -299.969
Base-Backbone interact. energy: -2.244
local terms energy: -319.930510
where:
bonds (distance) C4'-P energy: -63.052
bonds (distance) P-C4' energy: -62.298
flat angles C4'-P-C4' energy: -63.138
flat angles P-C4'-P energy: -45.073
tors. eta vs tors. theta energy: -86.370
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: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -920.131368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.131368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.131368 (E_RNA)
where:
Base-Base interactions energy: -595.532
where: short stacking energy: -263.668
Base-Backbone interact. energy: 0.726
local terms energy: -325.325288
where:
bonds (distance) C4'-P energy: -65.934
bonds (distance) P-C4' energy: -71.465
flat angles C4'-P-C4' energy: -69.842
flat angles P-C4'-P energy: -39.114
tors. eta vs tors. theta energy: -78.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -919.214681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.214681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.214681 (E_RNA)
where:
Base-Base interactions energy: -575.578
where: short stacking energy: -261.364
Base-Backbone interact. energy: -0.404
local terms energy: -343.232627
where:
bonds (distance) C4'-P energy: -63.232
bonds (distance) P-C4' energy: -69.494
flat angles C4'-P-C4' energy: -68.178
flat angles P-C4'-P energy: -57.482
tors. eta vs tors. theta energy: -84.846
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: 92
Temperature: 1.100000
Total energy: -834.135343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.135343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.135343 (E_RNA)
where:
Base-Base interactions energy: -530.315
where: short stacking energy: -231.562
Base-Backbone interact. energy: 1.866
local terms energy: -305.686114
where:
bonds (distance) C4'-P energy: -68.668
bonds (distance) P-C4' energy: -63.607
flat angles C4'-P-C4' energy: -59.482
flat angles P-C4'-P energy: -49.551
tors. eta vs tors. theta energy: -64.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -691.530340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.530340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.530340 (E_RNA)
where:
Base-Base interactions energy: -441.807
where: short stacking energy: -181.154
Base-Backbone interact. energy: 0.148
local terms energy: -249.871182
where:
bonds (distance) C4'-P energy: -52.893
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -52.892
flat angles P-C4'-P energy: -45.307
tors. eta vs tors. theta energy: -41.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -604.082889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.082889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.082889 (E_RNA)
where:
Base-Base interactions energy: -340.943
where: short stacking energy: -167.845
Base-Backbone interact. energy: -1.997
local terms energy: -261.142907
where:
bonds (distance) C4'-P energy: -56.495
bonds (distance) P-C4' energy: -58.252
flat angles C4'-P-C4' energy: -69.255
flat angles P-C4'-P energy: -35.262
tors. eta vs tors. theta energy: -41.880
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: 92
Temperature: 1.250000
Total energy: -326.867651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.867651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.867651 (E_RNA)
where:
Base-Base interactions energy: -125.164
where: short stacking energy: -85.971
Base-Backbone interact. energy: 0.691
local terms energy: -202.394445
where:
bonds (distance) C4'-P energy: -59.479
bonds (distance) P-C4' energy: -57.520
flat angles C4'-P-C4' energy: -58.181
flat angles P-C4'-P energy: -22.583
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -298.257414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.257414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.257414 (E_RNA)
where:
Base-Base interactions energy: -128.274
where: short stacking energy: -72.529
Base-Backbone interact. energy: 1.420
local terms energy: -171.404096
where:
bonds (distance) C4'-P energy: -55.021
bonds (distance) P-C4' energy: -60.062
flat angles C4'-P-C4' energy: -46.435
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: 14.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -279.430771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.430771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.430771 (E_RNA)
where:
Base-Base interactions energy: -96.136
where: short stacking energy: -70.858
Base-Backbone interact. energy: -1.866
local terms energy: -181.428090
where:
bonds (distance) C4'-P energy: -59.361
bonds (distance) P-C4' energy: -57.078
flat angles C4'-P-C4' energy: -60.528
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: 12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1117.986275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.986275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.986275 (E_RNA)
where:
Base-Base interactions energy: -753.342
where: short stacking energy: -313.357
Base-Backbone interact. energy: -0.239
local terms energy: -364.405548
where:
bonds (distance) C4'-P energy: -64.332
bonds (distance) P-C4' energy: -75.530
flat angles C4'-P-C4' energy: -77.655
flat angles P-C4'-P energy: -43.064
tors. eta vs tors. theta energy: -103.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1058.597000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.597000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.597000 (E_RNA)
where:
Base-Base interactions energy: -737.294
where: short stacking energy: -294.482
Base-Backbone interact. energy: 0.234
local terms energy: -321.536673
where:
bonds (distance) C4'-P energy: -56.140
bonds (distance) P-C4' energy: -67.246
flat angles C4'-P-C4' energy: -73.522
flat angles P-C4'-P energy: -38.554
tors. eta vs tors. theta energy: -86.076
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: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -910.237928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.237928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.237928 (E_RNA)
where:
Base-Base interactions energy: -595.120
where: short stacking energy: -280.431
Base-Backbone interact. energy: -0.657
local terms energy: -314.461202
where:
bonds (distance) C4'-P energy: -66.653
bonds (distance) P-C4' energy: -63.054
flat angles C4'-P-C4' energy: -62.005
flat angles P-C4'-P energy: -42.695
tors. eta vs tors. theta energy: -80.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -901.999423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.999423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.999423 (E_RNA)
where:
Base-Base interactions energy: -580.309
where: short stacking energy: -250.098
Base-Backbone interact. energy: -0.961
local terms energy: -320.730133
where:
bonds (distance) C4'-P energy: -74.358
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -60.952
flat angles P-C4'-P energy: -48.139
tors. eta vs tors. theta energy: -68.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -821.209826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.209826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.209826 (E_RNA)
where:
Base-Base interactions energy: -548.304
where: short stacking energy: -248.951
Base-Backbone interact. energy: -0.318
local terms energy: -272.587056
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -57.293
flat angles C4'-P-C4' energy: -60.624
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -73.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -616.048169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.048169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.048169 (E_RNA)
where:
Base-Base interactions energy: -354.819
where: short stacking energy: -171.868
Base-Backbone interact. energy: 0.454
local terms energy: -261.683419
where:
bonds (distance) C4'-P energy: -61.687
bonds (distance) P-C4' energy: -58.905
flat angles C4'-P-C4' energy: -65.614
flat angles P-C4'-P energy: -41.211
tors. eta vs tors. theta energy: -34.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -610.880405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.880405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.880405 (E_RNA)
where:
Base-Base interactions energy: -371.135
where: short stacking energy: -151.376
Base-Backbone interact. energy: 2.254
local terms energy: -242.000188
where:
bonds (distance) C4'-P energy: -65.740
bonds (distance) P-C4' energy: -73.324
flat angles C4'-P-C4' energy: -53.841
flat angles P-C4'-P energy: -26.660
tors. eta vs tors. theta energy: -22.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -324.475208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.475208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.475208 (E_RNA)
where:
Base-Base interactions energy: -133.272
where: short stacking energy: -88.962
Base-Backbone interact. energy: 2.137
local terms energy: -193.340311
where:
bonds (distance) C4'-P energy: -59.271
bonds (distance) P-C4' energy: -62.877
flat angles C4'-P-C4' energy: -47.539
flat angles P-C4'-P energy: -23.204
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -272.303661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.303661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.303661 (E_RNA)
where:
Base-Base interactions energy: -96.657
where: short stacking energy: -74.442
Base-Backbone interact. energy: 1.065
local terms energy: -176.711501
where:
bonds (distance) C4'-P energy: -64.947
bonds (distance) P-C4' energy: -61.317
flat angles C4'-P-C4' energy: -38.000
flat angles P-C4'-P energy: -26.090
tors. eta vs tors. theta energy: 13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -282.268079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.268079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.268079 (E_RNA)
where:
Base-Base interactions energy: -102.206
where: short stacking energy: -69.241
Base-Backbone interact. energy: -1.715
local terms energy: -178.347297
where:
bonds (distance) C4'-P energy: -47.272
bonds (distance) P-C4' energy: -54.796
flat angles C4'-P-C4' energy: -52.352
flat angles P-C4'-P energy: -23.927
tors. eta vs tors. theta energy: -0.001
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: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1140.046773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.046773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.046773 (E_RNA)
where:
Base-Base interactions energy: -776.566
where: short stacking energy: -323.641
Base-Backbone interact. energy: -2.683
local terms energy: -360.797549
where:
bonds (distance) C4'-P energy: -62.086
bonds (distance) P-C4' energy: -74.774
flat angles C4'-P-C4' energy: -76.513
flat angles P-C4'-P energy: -50.883
tors. eta vs tors. theta energy: -96.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1031.615255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.615255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.615255 (E_RNA)
where:
Base-Base interactions energy: -693.774
where: short stacking energy: -288.824
Base-Backbone interact. energy: -1.316
local terms energy: -336.526103
where:
bonds (distance) C4'-P energy: -61.869
bonds (distance) P-C4' energy: -66.687
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -48.464
tors. eta vs tors. theta energy: -88.815
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: 3, replica: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -893.677722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.677722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.677722 (E_RNA)
where:
Base-Base interactions energy: -576.363
where: short stacking energy: -267.223
Base-Backbone interact. energy: -1.068
local terms energy: -316.245822
where:
bonds (distance) C4'-P energy: -73.502
bonds (distance) P-C4' energy: -64.268
flat angles C4'-P-C4' energy: -58.537
flat angles P-C4'-P energy: -40.371
tors. eta vs tors. theta energy: -79.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -893.792106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.792106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.792106 (E_RNA)
where:
Base-Base interactions energy: -572.952
where: short stacking energy: -255.612
Base-Backbone interact. energy: -0.713
local terms energy: -320.126219
where:
bonds (distance) C4'-P energy: -71.458
bonds (distance) P-C4' energy: -65.454
flat angles C4'-P-C4' energy: -60.894
flat angles P-C4'-P energy: -49.290
tors. eta vs tors. theta energy: -73.029
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: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -838.171572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.171572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.171572 (E_RNA)
where:
Base-Base interactions energy: -561.208
where: short stacking energy: -252.960
Base-Backbone interact. energy: -1.134
local terms energy: -275.830229
where:
bonds (distance) C4'-P energy: -56.342
bonds (distance) P-C4' energy: -54.726
flat angles C4'-P-C4' energy: -62.196
flat angles P-C4'-P energy: -39.786
tors. eta vs tors. theta energy: -62.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -627.852066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.852066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.852066 (E_RNA)
where:
Base-Base interactions energy: -378.103
where: short stacking energy: -201.099
Base-Backbone interact. energy: -2.615
local terms energy: -247.133374
where:
bonds (distance) C4'-P energy: -54.848
bonds (distance) P-C4' energy: -56.761
flat angles C4'-P-C4' energy: -60.741
flat angles P-C4'-P energy: -24.042
tors. eta vs tors. theta energy: -50.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -646.213274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.213274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.213274 (E_RNA)
where:
Base-Base interactions energy: -383.658
where: short stacking energy: -179.712
Base-Backbone interact. energy: -1.135
local terms energy: -261.420142
where:
bonds (distance) C4'-P energy: -59.670
bonds (distance) P-C4' energy: -67.292
flat angles C4'-P-C4' energy: -67.582
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: -36.928
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: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -326.136327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.136327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.136327 (E_RNA)
where:
Base-Base interactions energy: -132.400
where: short stacking energy: -85.267
Base-Backbone interact. energy: 0.590
local terms energy: -194.325671
where:
bonds (distance) C4'-P energy: -58.784
bonds (distance) P-C4' energy: -50.575
flat angles C4'-P-C4' energy: -62.577
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: 6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -300.653742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.653742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.653742 (E_RNA)
where:
Base-Base interactions energy: -106.710
where: short stacking energy: -80.303
Base-Backbone interact. energy: 1.536
local terms energy: -195.479325
where:
bonds (distance) C4'-P energy: -62.713
bonds (distance) P-C4' energy: -64.345
flat angles C4'-P-C4' energy: -45.795
flat angles P-C4'-P energy: -34.442
tors. eta vs tors. theta energy: 11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -295.412438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.412438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.412438 (E_RNA)
where:
Base-Base interactions energy: -115.806
where: short stacking energy: -61.883
Base-Backbone interact. energy: -0.616
local terms energy: -178.990213
where:
bonds (distance) C4'-P energy: -55.443
bonds (distance) P-C4' energy: -64.351
flat angles C4'-P-C4' energy: -43.014
flat angles P-C4'-P energy: -32.428
tors. eta vs tors. theta energy: 16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1145.090878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.090878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.090878 (E_RNA)
where:
Base-Base interactions energy: -778.012
where: short stacking energy: -336.448
Base-Backbone interact. energy: 0.094
local terms energy: -367.172638
where:
bonds (distance) C4'-P energy: -65.392
bonds (distance) P-C4' energy: -70.036
flat angles C4'-P-C4' energy: -77.747
flat angles P-C4'-P energy: -48.653
tors. eta vs tors. theta energy: -105.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1043.212325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.212325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.212325 (E_RNA)
where:
Base-Base interactions energy: -695.580
where: short stacking energy: -296.151
Base-Backbone interact. energy: -1.552
local terms energy: -346.080105
where:
bonds (distance) C4'-P energy: -63.925
bonds (distance) P-C4' energy: -70.202
flat angles C4'-P-C4' energy: -73.909
flat angles P-C4'-P energy: -46.059
tors. eta vs tors. theta energy: -91.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -902.455392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.455392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.455392 (E_RNA)
where:
Base-Base interactions energy: -601.649
where: short stacking energy: -267.706
Base-Backbone interact. energy: -0.248
local terms energy: -300.557431
where:
bonds (distance) C4'-P energy: -67.058
bonds (distance) P-C4' energy: -67.722
flat angles C4'-P-C4' energy: -48.521
flat angles P-C4'-P energy: -48.870
tors. eta vs tors. theta energy: -68.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -912.084169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.084169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.084169 (E_RNA)
where:
Base-Base interactions energy: -592.502
where: short stacking energy: -273.818
Base-Backbone interact. energy: -1.556
local terms energy: -318.026051
where:
bonds (distance) C4'-P energy: -62.056
bonds (distance) P-C4' energy: -52.671
flat angles C4'-P-C4' energy: -70.886
flat angles P-C4'-P energy: -46.293
tors. eta vs tors. theta energy: -86.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -877.964725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.964725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.964725 (E_RNA)
where:
Base-Base interactions energy: -557.183
where: short stacking energy: -244.378
Base-Backbone interact. energy: -1.571
local terms energy: -319.210969
where:
bonds (distance) C4'-P energy: -72.869
bonds (distance) P-C4' energy: -71.639
flat angles C4'-P-C4' energy: -66.844
flat angles P-C4'-P energy: -44.298
tors. eta vs tors. theta energy: -63.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -621.035620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.035620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.035620 (E_RNA)
where:
Base-Base interactions energy: -371.979
where: short stacking energy: -163.653
Base-Backbone interact. energy: -0.452
local terms energy: -248.604673
where:
bonds (distance) C4'-P energy: -60.899
bonds (distance) P-C4' energy: -72.773
flat angles C4'-P-C4' energy: -55.484
flat angles P-C4'-P energy: -40.084
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -593.307644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.307644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.307644 (E_RNA)
where:
Base-Base interactions energy: -361.875
where: short stacking energy: -170.095
Base-Backbone interact. energy: -0.555
local terms energy: -230.877193
where:
bonds (distance) C4'-P energy: -50.797
bonds (distance) P-C4' energy: -57.905
flat angles C4'-P-C4' energy: -53.493
flat angles P-C4'-P energy: -35.312
tors. eta vs tors. theta energy: -33.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -303.620870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.620870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.620870 (E_RNA)
where:
Base-Base interactions energy: -114.639
where: short stacking energy: -98.477
Base-Backbone interact. energy: -1.947
local terms energy: -187.034550
where:
bonds (distance) C4'-P energy: -43.463
bonds (distance) P-C4' energy: -55.048
flat angles C4'-P-C4' energy: -50.071
flat angles P-C4'-P energy: -28.027
tors. eta vs tors. theta energy: -10.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -339.238330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.238330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.238330 (E_RNA)
where:
Base-Base interactions energy: -131.960
where: short stacking energy: -83.944
Base-Backbone interact. energy: -1.095
local terms energy: -206.183122
where:
bonds (distance) C4'-P energy: -62.075
bonds (distance) P-C4' energy: -64.314
flat angles C4'-P-C4' energy: -54.612
flat angles P-C4'-P energy: -23.229
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -261.309771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.309771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.309771 (E_RNA)
where:
Base-Base interactions energy: -72.100
where: short stacking energy: -44.540
Base-Backbone interact. energy: 0.336
local terms energy: -191.968900
where:
bonds (distance) C4'-P energy: -62.295
bonds (distance) P-C4' energy: -56.255
flat angles C4'-P-C4' energy: -49.081
flat angles P-C4'-P energy: -37.707
tors. eta vs tors. theta energy: 13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.423 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1131.298229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.298229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.298229 (E_RNA)
where:
Base-Base interactions energy: -772.071
where: short stacking energy: -322.888
Base-Backbone interact. energy: -1.193
local terms energy: -358.033880
where:
bonds (distance) C4'-P energy: -62.366
bonds (distance) P-C4' energy: -63.932
flat angles C4'-P-C4' energy: -75.022
flat angles P-C4'-P energy: -53.988
tors. eta vs tors. theta energy: -102.726
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: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1032.264046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.264046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.264046 (E_RNA)
where:
Base-Base interactions energy: -711.563
where: short stacking energy: -284.706
Base-Backbone interact. energy: -0.863
local terms energy: -319.838123
where:
bonds (distance) C4'-P energy: -57.605
bonds (distance) P-C4' energy: -57.274
flat angles C4'-P-C4' energy: -70.941
flat angles P-C4'-P energy: -48.900
tors. eta vs tors. theta energy: -85.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -934.867000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.867000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.867000 (E_RNA)
where:
Base-Base interactions energy: -611.761
where: short stacking energy: -272.018
Base-Backbone interact. energy: 0.597
local terms energy: -323.703203
where:
bonds (distance) C4'-P energy: -60.432
bonds (distance) P-C4' energy: -61.951
flat angles C4'-P-C4' energy: -62.844
flat angles P-C4'-P energy: -54.287
tors. eta vs tors. theta energy: -84.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -858.950298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.950298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.950298 (E_RNA)
where:
Base-Base interactions energy: -557.058
where: short stacking energy: -260.165
Base-Backbone interact. energy: -0.968
local terms energy: -300.924189
where:
bonds (distance) C4'-P energy: -57.814
bonds (distance) P-C4' energy: -68.612
flat angles C4'-P-C4' energy: -65.834
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -70.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -862.686833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.686833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.686833 (E_RNA)
where:
Base-Base interactions energy: -567.337
where: short stacking energy: -240.681
Base-Backbone interact. energy: -1.792
local terms energy: -293.557184
where:
bonds (distance) C4'-P energy: -57.909
bonds (distance) P-C4' energy: -67.550
flat angles C4'-P-C4' energy: -62.674
flat angles P-C4'-P energy: -30.093
tors. eta vs tors. theta energy: -75.331
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: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -633.003633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.003633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.003633 (E_RNA)
where:
Base-Base interactions energy: -383.652
where: short stacking energy: -184.664
Base-Backbone interact. energy: 1.875
local terms energy: -251.226421
where:
bonds (distance) C4'-P energy: -57.472
bonds (distance) P-C4' energy: -62.595
flat angles C4'-P-C4' energy: -69.406
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -38.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -601.871570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.871570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.871570 (E_RNA)
where:
Base-Base interactions energy: -347.825
where: short stacking energy: -175.803
Base-Backbone interact. energy: 0.848
local terms energy: -254.894025
where:
bonds (distance) C4'-P energy: -67.846
bonds (distance) P-C4' energy: -54.344
flat angles C4'-P-C4' energy: -53.073
flat angles P-C4'-P energy: -39.379
tors. eta vs tors. theta energy: -40.253
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: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -306.175714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.175714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.175714 (E_RNA)
where:
Base-Base interactions energy: -107.735
where: short stacking energy: -99.688
Base-Backbone interact. energy: -1.364
local terms energy: -197.076023
where:
bonds (distance) C4'-P energy: -53.711
bonds (distance) P-C4' energy: -61.906
flat angles C4'-P-C4' energy: -44.904
flat angles P-C4'-P energy: -26.021
tors. eta vs tors. theta energy: -10.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -354.455712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.455712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.455712 (E_RNA)
where:
Base-Base interactions energy: -151.266
where: short stacking energy: -85.648
Base-Backbone interact. energy: -0.968
local terms energy: -202.222087
where:
bonds (distance) C4'-P energy: -58.174
bonds (distance) P-C4' energy: -63.042
flat angles C4'-P-C4' energy: -43.021
flat angles P-C4'-P energy: -34.560
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: 10, replica: 3
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -268.513157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.513157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.513157 (E_RNA)
where:
Base-Base interactions energy: -78.395
where: short stacking energy: -75.916
Base-Backbone interact. energy: -0.255
local terms energy: -189.863567
where:
bonds (distance) C4'-P energy: -55.992
bonds (distance) P-C4' energy: -58.080
flat angles C4'-P-C4' energy: -52.559
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: 11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1129.774380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.774380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.774380 (E_RNA)
where:
Base-Base interactions energy: -750.193
where: short stacking energy: -327.015
Base-Backbone interact. energy: -2.029
local terms energy: -377.551664
where:
bonds (distance) C4'-P energy: -71.241
bonds (distance) P-C4' energy: -66.064
flat angles C4'-P-C4' energy: -82.986
flat angles P-C4'-P energy: -50.196
tors. eta vs tors. theta energy: -107.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1041.997819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.997819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.997819 (E_RNA)
where:
Base-Base interactions energy: -702.565
where: short stacking energy: -283.302
Base-Backbone interact. energy: -1.007
local terms energy: -338.426266
where:
bonds (distance) C4'-P energy: -68.215
bonds (distance) P-C4' energy: -75.028
flat angles C4'-P-C4' energy: -70.712
flat angles P-C4'-P energy: -48.463
tors. eta vs tors. theta energy: -76.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -951.358117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.358117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.358117 (E_RNA)
where:
Base-Base interactions energy: -624.996
where: short stacking energy: -270.203
Base-Backbone interact. energy: 0.100
local terms energy: -326.462209
where:
bonds (distance) C4'-P energy: -66.813
bonds (distance) P-C4' energy: -69.320
flat angles C4'-P-C4' energy: -69.723
flat angles P-C4'-P energy: -46.660
tors. eta vs tors. theta energy: -73.945
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: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -893.921550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.921550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.921550 (E_RNA)
where:
Base-Base interactions energy: -584.182
where: short stacking energy: -263.967
Base-Backbone interact. energy: 3.170
local terms energy: -312.909536
where:
bonds (distance) C4'-P energy: -65.275
bonds (distance) P-C4' energy: -59.887
flat angles C4'-P-C4' energy: -71.298
flat angles P-C4'-P energy: -38.705
tors. eta vs tors. theta energy: -77.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -823.285524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.285524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.285524 (E_RNA)
where:
Base-Base interactions energy: -525.210
where: short stacking energy: -235.600
Base-Backbone interact. energy: -2.202
local terms energy: -295.873985
where:
bonds (distance) C4'-P energy: -61.321
bonds (distance) P-C4' energy: -59.249
flat angles C4'-P-C4' energy: -61.133
flat angles P-C4'-P energy: -48.624
tors. eta vs tors. theta energy: -65.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -651.383745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.383745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.383745 (E_RNA)
where:
Base-Base interactions energy: -392.404
where: short stacking energy: -202.582
Base-Backbone interact. energy: -1.491
local terms energy: -257.488252
where:
bonds (distance) C4'-P energy: -51.692
bonds (distance) P-C4' energy: -65.802
flat angles C4'-P-C4' energy: -62.866
flat angles P-C4'-P energy: -35.799
tors. eta vs tors. theta energy: -41.330
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: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -589.436128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.436128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.436128 (E_RNA)
where:
Base-Base interactions energy: -360.338
where: short stacking energy: -182.002
Base-Backbone interact. energy: -0.025
local terms energy: -229.073512
where:
bonds (distance) C4'-P energy: -50.512
bonds (distance) P-C4' energy: -59.426
flat angles C4'-P-C4' energy: -60.482
flat angles P-C4'-P energy: -27.140
tors. eta vs tors. theta energy: -31.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -422.352727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.352727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.352727 (E_RNA)
where:
Base-Base interactions energy: -196.189
where: short stacking energy: -111.087
Base-Backbone interact. energy: 0.190
local terms energy: -226.732073
where:
bonds (distance) C4'-P energy: -55.452
bonds (distance) P-C4' energy: -63.870
flat angles C4'-P-C4' energy: -60.065
flat angles P-C4'-P energy: -32.412
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.378 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -278.705646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.705646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.705646 (E_RNA)
where:
Base-Base interactions energy: -85.853
where: short stacking energy: -61.300
Base-Backbone interact. energy: 1.725
local terms energy: -194.577560
where:
bonds (distance) C4'-P energy: -63.717
bonds (distance) P-C4' energy: -63.323
flat angles C4'-P-C4' energy: -48.763
flat angles P-C4'-P energy: -36.538
tors. eta vs tors. theta energy: 17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -277.819913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.819913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.819913 (E_RNA)
where:
Base-Base interactions energy: -114.159
where: short stacking energy: -50.107
Base-Backbone interact. energy: 4.778
local terms energy: -168.438856
where:
bonds (distance) C4'-P energy: -65.842
bonds (distance) P-C4' energy: -61.293
flat angles C4'-P-C4' energy: -36.394
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: 9.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1146.134234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.134234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.134234 (E_RNA)
where:
Base-Base interactions energy: -780.175
where: short stacking energy: -318.655
Base-Backbone interact. energy: -1.119
local terms energy: -364.840339
where:
bonds (distance) C4'-P energy: -67.752
bonds (distance) P-C4' energy: -63.488
flat angles C4'-P-C4' energy: -77.830
flat angles P-C4'-P energy: -46.661
tors. eta vs tors. theta energy: -109.111
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: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1034.101419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.101419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.101419 (E_RNA)
where:
Base-Base interactions energy: -696.760
where: short stacking energy: -303.661
Base-Backbone interact. energy: -1.994
local terms energy: -335.347279
where:
bonds (distance) C4'-P energy: -57.973
bonds (distance) P-C4' energy: -66.722
flat angles C4'-P-C4' energy: -72.957
flat angles P-C4'-P energy: -52.266
tors. eta vs tors. theta energy: -85.429
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: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -952.733820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.733820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.733820 (E_RNA)
where:
Base-Base interactions energy: -626.632
where: short stacking energy: -281.938
Base-Backbone interact. energy: -0.886
local terms energy: -325.216522
where:
bonds (distance) C4'-P energy: -56.022
bonds (distance) P-C4' energy: -74.213
flat angles C4'-P-C4' energy: -67.186
flat angles P-C4'-P energy: -45.902
tors. eta vs tors. theta energy: -81.893
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: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -860.429619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.429619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.429619 (E_RNA)
where:
Base-Base interactions energy: -543.821
where: short stacking energy: -239.592
Base-Backbone interact. energy: -0.786
local terms energy: -315.823097
where:
bonds (distance) C4'-P energy: -66.223
bonds (distance) P-C4' energy: -69.862
flat angles C4'-P-C4' energy: -63.294
flat angles P-C4'-P energy: -46.507
tors. eta vs tors. theta energy: -69.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -780.326446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.326446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.326446 (E_RNA)
where:
Base-Base interactions energy: -490.505
where: short stacking energy: -225.029
Base-Backbone interact. energy: -2.323
local terms energy: -287.498828
where:
bonds (distance) C4'-P energy: -60.423
bonds (distance) P-C4' energy: -66.311
flat angles C4'-P-C4' energy: -59.826
flat angles P-C4'-P energy: -36.997
tors. eta vs tors. theta energy: -63.942
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: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -668.905682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.905682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.905682 (E_RNA)
where:
Base-Base interactions energy: -382.992
where: short stacking energy: -180.784
Base-Backbone interact. energy: -1.719
local terms energy: -284.194479
where:
bonds (distance) C4'-P energy: -65.959
bonds (distance) P-C4' energy: -65.679
flat angles C4'-P-C4' energy: -58.303
flat angles P-C4'-P energy: -48.160
tors. eta vs tors. theta energy: -46.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -588.303943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.303943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.303943 (E_RNA)
where:
Base-Base interactions energy: -337.435
where: short stacking energy: -172.557
Base-Backbone interact. energy: -0.414
local terms energy: -250.454597
where:
bonds (distance) C4'-P energy: -47.271
bonds (distance) P-C4' energy: -70.329
flat angles C4'-P-C4' energy: -62.696
flat angles P-C4'-P energy: -34.516
tors. eta vs tors. theta energy: -35.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -485.078153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.078153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.078153 (E_RNA)
where:
Base-Base interactions energy: -275.070
where: short stacking energy: -124.130
Base-Backbone interact. energy: 0.945
local terms energy: -211.937508
where:
bonds (distance) C4'-P energy: -50.784
bonds (distance) P-C4' energy: -63.974
flat angles C4'-P-C4' energy: -46.403
flat angles P-C4'-P energy: -41.343
tors. eta vs tors. theta energy: -9.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.985 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -287.790930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.790930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.790930 (E_RNA)
where:
Base-Base interactions energy: -105.856
where: short stacking energy: -98.520
Base-Backbone interact. energy: 3.562
local terms energy: -185.496627
where:
bonds (distance) C4'-P energy: -59.311
bonds (distance) P-C4' energy: -58.318
flat angles C4'-P-C4' energy: -47.643
flat angles P-C4'-P energy: -19.212
tors. eta vs tors. theta energy: -1.013
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: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -272.650413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.650413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.650413 (E_RNA)
where:
Base-Base interactions energy: -81.296
where: short stacking energy: -60.918
Base-Backbone interact. energy: -1.123
local terms energy: -190.232258
where:
bonds (distance) C4'-P energy: -63.633
bonds (distance) P-C4' energy: -57.317
flat angles C4'-P-C4' energy: -55.140
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: 11.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1143.262165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.262165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.262165 (E_RNA)
where:
Base-Base interactions energy: -767.822
where: short stacking energy: -340.895
Base-Backbone interact. energy: 0.995
local terms energy: -376.434382
where:
bonds (distance) C4'-P energy: -60.543
bonds (distance) P-C4' energy: -68.969
flat angles C4'-P-C4' energy: -80.716
flat angles P-C4'-P energy: -60.969
tors. eta vs tors. theta energy: -105.237
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: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1036.162828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.162828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.162828 (E_RNA)
where:
Base-Base interactions energy: -710.488
where: short stacking energy: -301.808
Base-Backbone interact. energy: -2.649
local terms energy: -323.025892
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -61.779
flat angles C4'-P-C4' energy: -69.821
flat angles P-C4'-P energy: -51.688
tors. eta vs tors. theta energy: -84.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -950.776249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.776249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.776249 (E_RNA)
where:
Base-Base interactions energy: -613.776
where: short stacking energy: -265.525
Base-Backbone interact. energy: -0.654
local terms energy: -336.345991
where:
bonds (distance) C4'-P energy: -70.769
bonds (distance) P-C4' energy: -71.904
flat angles C4'-P-C4' energy: -65.388
flat angles P-C4'-P energy: -51.223
tors. eta vs tors. theta energy: -77.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -871.164448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.164448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.164448 (E_RNA)
where:
Base-Base interactions energy: -573.952
where: short stacking energy: -237.927
Base-Backbone interact. energy: -1.282
local terms energy: -295.930798
where:
bonds (distance) C4'-P energy: -59.052
bonds (distance) P-C4' energy: -60.649
flat angles C4'-P-C4' energy: -67.604
flat angles P-C4'-P energy: -29.229
tors. eta vs tors. theta energy: -79.397
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: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -804.423608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.423608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.423608 (E_RNA)
where:
Base-Base interactions energy: -530.067
where: short stacking energy: -259.616
Base-Backbone interact. energy: 1.683
local terms energy: -276.040507
where:
bonds (distance) C4'-P energy: -47.265
bonds (distance) P-C4' energy: -60.055
flat angles C4'-P-C4' energy: -58.746
flat angles P-C4'-P energy: -43.771
tors. eta vs tors. theta energy: -66.204
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: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -674.813115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.813115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.813115 (E_RNA)
where:
Base-Base interactions energy: -402.925
where: short stacking energy: -198.701
Base-Backbone interact. energy: -1.158
local terms energy: -271.771186
where:
bonds (distance) C4'-P energy: -55.688
bonds (distance) P-C4' energy: -71.265
flat angles C4'-P-C4' energy: -60.822
flat angles P-C4'-P energy: -36.231
tors. eta vs tors. theta energy: -47.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.041 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -590.492169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.492169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.492169 (E_RNA)
where:
Base-Base interactions energy: -346.600
where: short stacking energy: -179.930
Base-Backbone interact. energy: -1.601
local terms energy: -242.291168
where:
bonds (distance) C4'-P energy: -39.848
bonds (distance) P-C4' energy: -55.547
flat angles C4'-P-C4' energy: -66.635
flat angles P-C4'-P energy: -40.581
tors. eta vs tors. theta energy: -39.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -409.864221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.864221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.864221 (E_RNA)
where:
Base-Base interactions energy: -205.365
where: short stacking energy: -109.535
Base-Backbone interact. energy: -1.590
local terms energy: -202.908483
where:
bonds (distance) C4'-P energy: -63.881
bonds (distance) P-C4' energy: -55.121
flat angles C4'-P-C4' energy: -45.949
flat angles P-C4'-P energy: -31.426
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -313.983658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.983658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.983658 (E_RNA)
where:
Base-Base interactions energy: -102.108
where: short stacking energy: -78.488
Base-Backbone interact. energy: -0.675
local terms energy: -211.200355
where:
bonds (distance) C4'-P energy: -61.145
bonds (distance) P-C4' energy: -67.218
flat angles C4'-P-C4' energy: -53.510
flat angles P-C4'-P energy: -38.632
tors. eta vs tors. theta energy: 9.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -288.394448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.394448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.394448 (E_RNA)
where:
Base-Base interactions energy: -88.672
where: short stacking energy: -56.257
Base-Backbone interact. energy: -1.527
local terms energy: -198.194868
where:
bonds (distance) C4'-P energy: -65.025
bonds (distance) P-C4' energy: -71.795
flat angles C4'-P-C4' energy: -45.099
flat angles P-C4'-P energy: -30.772
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: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1141.445846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.445846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.445846 (E_RNA)
where:
Base-Base interactions energy: -782.251
where: short stacking energy: -323.745
Base-Backbone interact. energy: -2.299
local terms energy: -356.896001
where:
bonds (distance) C4'-P energy: -58.384
bonds (distance) P-C4' energy: -69.732
flat angles C4'-P-C4' energy: -75.148
flat angles P-C4'-P energy: -48.948
tors. eta vs tors. theta energy: -104.684
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: 100
Temperature: 0.950000
Total energy: -1064.240758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.240758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.240758 (E_RNA)
where:
Base-Base interactions energy: -725.153
where: short stacking energy: -320.492
Base-Backbone interact. energy: -2.666
local terms energy: -336.421085
where:
bonds (distance) C4'-P energy: -55.195
bonds (distance) P-C4' energy: -68.409
flat angles C4'-P-C4' energy: -74.680
flat angles P-C4'-P energy: -51.831
tors. eta vs tors. theta energy: -86.306
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: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -983.271916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.271916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.271916 (E_RNA)
where:
Base-Base interactions energy: -671.959
where: short stacking energy: -281.055
Base-Backbone interact. energy: 0.015
local terms energy: -311.328633
where:
bonds (distance) C4'-P energy: -54.996
bonds (distance) P-C4' energy: -63.122
flat angles C4'-P-C4' energy: -73.048
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -82.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -879.952356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.952356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.952356 (E_RNA)
where:
Base-Base interactions energy: -566.961
where: short stacking energy: -257.905
Base-Backbone interact. energy: -1.104
local terms energy: -311.887612
where:
bonds (distance) C4'-P energy: -62.986
bonds (distance) P-C4' energy: -67.999
flat angles C4'-P-C4' energy: -61.457
flat angles P-C4'-P energy: -46.066
tors. eta vs tors. theta energy: -73.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -775.867216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.867216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.867216 (E_RNA)
where:
Base-Base interactions energy: -479.923
where: short stacking energy: -223.979
Base-Backbone interact. energy: -0.021
local terms energy: -295.923751
where:
bonds (distance) C4'-P energy: -65.288
bonds (distance) P-C4' energy: -63.876
flat angles C4'-P-C4' energy: -64.715
flat angles P-C4'-P energy: -36.822
tors. eta vs tors. theta energy: -65.224
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: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -712.018033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.018033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.018033 (E_RNA)
where:
Base-Base interactions energy: -427.606
where: short stacking energy: -236.504
Base-Backbone interact. energy: -1.016
local terms energy: -283.395515
where:
bonds (distance) C4'-P energy: -52.384
bonds (distance) P-C4' energy: -62.894
flat angles C4'-P-C4' energy: -62.366
flat angles P-C4'-P energy: -40.214
tors. eta vs tors. theta energy: -65.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -599.072042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.072042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.072042 (E_RNA)
where:
Base-Base interactions energy: -354.133
where: short stacking energy: -180.601
Base-Backbone interact. energy: 1.895
local terms energy: -246.833932
where:
bonds (distance) C4'-P energy: -59.987
bonds (distance) P-C4' energy: -54.623
flat angles C4'-P-C4' energy: -63.598
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -34.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -375.911478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.911478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.911478 (E_RNA)
where:
Base-Base interactions energy: -174.560
where: short stacking energy: -91.818
Base-Backbone interact. energy: -1.915
local terms energy: -200.131079
where:
bonds (distance) C4'-P energy: -52.773
bonds (distance) P-C4' energy: -60.468
flat angles C4'-P-C4' energy: -57.378
flat angles P-C4'-P energy: -33.148
tors. eta vs tors. theta energy: 3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.694 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -339.731849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.731849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.731849 (E_RNA)
where:
Base-Base interactions energy: -147.439
where: short stacking energy: -99.697
Base-Backbone interact. energy: -0.193
local terms energy: -192.100452
where:
bonds (distance) C4'-P energy: -49.246
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -63.914
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -263.468787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.468787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.468787 (E_RNA)
where:
Base-Base interactions energy: -85.829
where: short stacking energy: -63.699
Base-Backbone interact. energy: -1.351
local terms energy: -176.288932
where:
bonds (distance) C4'-P energy: -50.432
bonds (distance) P-C4' energy: -47.504
flat angles C4'-P-C4' energy: -58.507
flat angles P-C4'-P energy: -32.306
tors. eta vs tors. theta energy: 12.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1147.510403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.510403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.510403 (E_RNA)
where:
Base-Base interactions energy: -793.840
where: short stacking energy: -331.349
Base-Backbone interact. energy: -1.451
local terms energy: -352.219630
where:
bonds (distance) C4'-P energy: -64.005
bonds (distance) P-C4' energy: -67.736
flat angles C4'-P-C4' energy: -73.471
flat angles P-C4'-P energy: -47.759
tors. eta vs tors. theta energy: -99.248
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: 101
Temperature: 0.950000
Total energy: -1052.372908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.372908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.372908 (E_RNA)
where:
Base-Base interactions energy: -712.941
where: short stacking energy: -291.336
Base-Backbone interact. energy: 2.426
local terms energy: -341.857792
where:
bonds (distance) C4'-P energy: -69.830
bonds (distance) P-C4' energy: -75.746
flat angles C4'-P-C4' energy: -68.861
flat angles P-C4'-P energy: -38.469
tors. eta vs tors. theta energy: -88.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -937.266239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.266239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.266239 (E_RNA)
where:
Base-Base interactions energy: -603.368
where: short stacking energy: -293.557
Base-Backbone interact. energy: -0.754
local terms energy: -333.144479
where:
bonds (distance) C4'-P energy: -68.496
bonds (distance) P-C4' energy: -73.102
flat angles C4'-P-C4' energy: -64.979
flat angles P-C4'-P energy: -42.851
tors. eta vs tors. theta energy: -83.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -878.471212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.471212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.471212 (E_RNA)
where:
Base-Base interactions energy: -562.474
where: short stacking energy: -257.090
Base-Backbone interact. energy: -0.757
local terms energy: -315.240763
where:
bonds (distance) C4'-P energy: -57.182
bonds (distance) P-C4' energy: -72.238
flat angles C4'-P-C4' energy: -74.632
flat angles P-C4'-P energy: -43.086
tors. eta vs tors. theta energy: -68.103
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: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -786.890335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.890335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.890335 (E_RNA)
where:
Base-Base interactions energy: -489.364
where: short stacking energy: -212.548
Base-Backbone interact. energy: 1.821
local terms energy: -299.347384
where:
bonds (distance) C4'-P energy: -61.055
bonds (distance) P-C4' energy: -64.781
flat angles C4'-P-C4' energy: -68.889
flat angles P-C4'-P energy: -48.694
tors. eta vs tors. theta energy: -55.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -765.684357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.684357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.684357 (E_RNA)
where:
Base-Base interactions energy: -500.036
where: short stacking energy: -217.803
Base-Backbone interact. energy: -0.935
local terms energy: -264.713018
where:
bonds (distance) C4'-P energy: -53.779
bonds (distance) P-C4' energy: -62.435
flat angles C4'-P-C4' energy: -58.668
flat angles P-C4'-P energy: -42.374
tors. eta vs tors. theta energy: -47.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -627.685893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.685893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.685893 (E_RNA)
where:
Base-Base interactions energy: -392.758
where: short stacking energy: -171.021
Base-Backbone interact. energy: -0.236
local terms energy: -234.692044
where:
bonds (distance) C4'-P energy: -62.803
bonds (distance) P-C4' energy: -54.336
flat angles C4'-P-C4' energy: -54.510
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: -36.953
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: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -316.875646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.875646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.875646 (E_RNA)
where:
Base-Base interactions energy: -124.843
where: short stacking energy: -89.706
Base-Backbone interact. energy: -1.080
local terms energy: -190.952643
where:
bonds (distance) C4'-P energy: -60.822
bonds (distance) P-C4' energy: -53.085
flat angles C4'-P-C4' energy: -47.690
flat angles P-C4'-P energy: -32.183
tors. eta vs tors. theta energy: 2.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -341.382860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.382860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.382860 (E_RNA)
where:
Base-Base interactions energy: -171.329
where: short stacking energy: -90.726
Base-Backbone interact. energy: -1.712
local terms energy: -168.342029
where:
bonds (distance) C4'-P energy: -49.909
bonds (distance) P-C4' energy: -45.567
flat angles C4'-P-C4' energy: -50.698
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: 1.144
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: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -262.847419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.847419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.847419 (E_RNA)
where:
Base-Base interactions energy: -87.718
where: short stacking energy: -83.258
Base-Backbone interact. energy: -0.074
local terms energy: -175.055987
where:
bonds (distance) C4'-P energy: -46.846
bonds (distance) P-C4' energy: -65.364
flat angles C4'-P-C4' energy: -45.351
flat angles P-C4'-P energy: -24.830
tors. eta vs tors. theta energy: 7.335
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: 102
Temperature: 0.900000
Total energy: -1165.748893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.748893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.748893 (E_RNA)
where:
Base-Base interactions energy: -808.509
where: short stacking energy: -338.398
Base-Backbone interact. energy: -2.588
local terms energy: -354.651675
where:
bonds (distance) C4'-P energy: -59.855
bonds (distance) P-C4' energy: -68.327
flat angles C4'-P-C4' energy: -79.620
flat angles P-C4'-P energy: -49.343
tors. eta vs tors. theta energy: -97.506
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: 102
Temperature: 0.950000
Total energy: -1014.329545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.329545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.329545 (E_RNA)
where:
Base-Base interactions energy: -685.811
where: short stacking energy: -281.680
Base-Backbone interact. energy: 0.724
local terms energy: -329.242289
where:
bonds (distance) C4'-P energy: -69.392
bonds (distance) P-C4' energy: -64.125
flat angles C4'-P-C4' energy: -68.978
flat angles P-C4'-P energy: -43.979
tors. eta vs tors. theta energy: -82.769
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: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -906.132724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.132724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.132724 (E_RNA)
where:
Base-Base interactions energy: -585.367
where: short stacking energy: -264.560
Base-Backbone interact. energy: -1.112
local terms energy: -319.653180
where:
bonds (distance) C4'-P energy: -67.367
bonds (distance) P-C4' energy: -69.956
flat angles C4'-P-C4' energy: -66.533
flat angles P-C4'-P energy: -44.619
tors. eta vs tors. theta energy: -71.178
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: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -896.036877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.036877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.036877 (E_RNA)
where:
Base-Base interactions energy: -588.724
where: short stacking energy: -272.485
Base-Backbone interact. energy: -0.436
local terms energy: -306.876553
where:
bonds (distance) C4'-P energy: -66.539
bonds (distance) P-C4' energy: -60.441
flat angles C4'-P-C4' energy: -67.204
flat angles P-C4'-P energy: -40.222
tors. eta vs tors. theta energy: -72.471
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: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -789.261538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.261538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.261538 (E_RNA)
where:
Base-Base interactions energy: -504.794
where: short stacking energy: -226.842
Base-Backbone interact. energy: -0.372
local terms energy: -284.095769
where:
bonds (distance) C4'-P energy: -52.964
bonds (distance) P-C4' energy: -64.197
flat angles C4'-P-C4' energy: -67.834
flat angles P-C4'-P energy: -41.065
tors. eta vs tors. theta energy: -58.036
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: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -787.294238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.294238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.294238 (E_RNA)
where:
Base-Base interactions energy: -488.556
where: short stacking energy: -208.691
Base-Backbone interact. energy: -1.917
local terms energy: -296.821839
where:
bonds (distance) C4'-P energy: -70.507
bonds (distance) P-C4' energy: -74.002
flat angles C4'-P-C4' energy: -70.763
flat angles P-C4'-P energy: -30.864
tors. eta vs tors. theta energy: -50.687
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: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -610.568635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.568635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.568635 (E_RNA)
where:
Base-Base interactions energy: -367.696
where: short stacking energy: -186.906
Base-Backbone interact. energy: 0.904
local terms energy: -243.776469
where:
bonds (distance) C4'-P energy: -60.374
bonds (distance) P-C4' energy: -65.891
flat angles C4'-P-C4' energy: -58.891
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -31.947
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: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -358.424486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.424486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.424486 (E_RNA)
where:
Base-Base interactions energy: -144.668
where: short stacking energy: -89.505
Base-Backbone interact. energy: 0.320
local terms energy: -214.076066
where:
bonds (distance) C4'-P energy: -56.094
bonds (distance) P-C4' energy: -71.384
flat angles C4'-P-C4' energy: -53.887
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -392.721852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.721852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.721852 (E_RNA)
where:
Base-Base interactions energy: -190.264
where: short stacking energy: -115.027
Base-Backbone interact. energy: -0.646
local terms energy: -201.811829
where:
bonds (distance) C4'-P energy: -44.465
bonds (distance) P-C4' energy: -67.296
flat angles C4'-P-C4' energy: -52.987
flat angles P-C4'-P energy: -25.619
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: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -255.722794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.722794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.722794 (E_RNA)
where:
Base-Base interactions energy: -89.937
where: short stacking energy: -57.429
Base-Backbone interact. energy: -0.871
local terms energy: -164.915276
where:
bonds (distance) C4'-P energy: -53.046
bonds (distance) P-C4' energy: -65.258
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -30.778
tors. eta vs tors. theta energy: 22.867
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: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1161.191279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.191279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.191279 (E_RNA)
where:
Base-Base interactions energy: -794.605
where: short stacking energy: -341.626
Base-Backbone interact. energy: -0.253
local terms energy: -366.332958
where:
bonds (distance) C4'-P energy: -63.868
bonds (distance) P-C4' energy: -69.132
flat angles C4'-P-C4' energy: -76.133
flat angles P-C4'-P energy: -58.589
tors. eta vs tors. theta energy: -98.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1025.409559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.409559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.409559 (E_RNA)
where:
Base-Base interactions energy: -697.054
where: short stacking energy: -286.245
Base-Backbone interact. energy: -0.644
local terms energy: -327.712202
where:
bonds (distance) C4'-P energy: -50.877
bonds (distance) P-C4' energy: -77.319
flat angles C4'-P-C4' energy: -72.821
flat angles P-C4'-P energy: -50.896
tors. eta vs tors. theta energy: -75.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -940.473728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.473728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.473728 (E_RNA)
where:
Base-Base interactions energy: -621.139
where: short stacking energy: -289.329
Base-Backbone interact. energy: -1.332
local terms energy: -318.002365
where:
bonds (distance) C4'-P energy: -66.977
bonds (distance) P-C4' energy: -66.408
flat angles C4'-P-C4' energy: -74.482
flat angles P-C4'-P energy: -31.778
tors. eta vs tors. theta energy: -78.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -890.388317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.388317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.388317 (E_RNA)
where:
Base-Base interactions energy: -586.955
where: short stacking energy: -270.816
Base-Backbone interact. energy: -0.058
local terms energy: -304.699367
where:
bonds (distance) C4'-P energy: -58.654
bonds (distance) P-C4' energy: -62.553
flat angles C4'-P-C4' energy: -68.919
flat angles P-C4'-P energy: -38.375
tors. eta vs tors. theta energy: -76.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.324 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -777.354859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.354859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.354859 (E_RNA)
where:
Base-Base interactions energy: -484.366
where: short stacking energy: -200.271
Base-Backbone interact. energy: -1.001
local terms energy: -291.988286
where:
bonds (distance) C4'-P energy: -62.979
bonds (distance) P-C4' energy: -67.718
flat angles C4'-P-C4' energy: -66.567
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: -51.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -778.595871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.595871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.595871 (E_RNA)
where:
Base-Base interactions energy: -504.726
where: short stacking energy: -222.547
Base-Backbone interact. energy: -0.337
local terms energy: -273.532821
where:
bonds (distance) C4'-P energy: -49.683
bonds (distance) P-C4' energy: -57.735
flat angles C4'-P-C4' energy: -70.659
flat angles P-C4'-P energy: -41.216
tors. eta vs tors. theta energy: -54.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -570.947527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.947527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.947527 (E_RNA)
where:
Base-Base interactions energy: -352.388
where: short stacking energy: -156.054
Base-Backbone interact. energy: 1.310
local terms energy: -219.869542
where:
bonds (distance) C4'-P energy: -65.875
bonds (distance) P-C4' energy: -52.272
flat angles C4'-P-C4' energy: -57.865
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: -15.510
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: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -407.584636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.584636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.584636 (E_RNA)
where:
Base-Base interactions energy: -202.205
where: short stacking energy: -107.283
Base-Backbone interact. energy: 3.205
local terms energy: -208.584387
where:
bonds (distance) C4'-P energy: -58.297
bonds (distance) P-C4' energy: -62.876
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -40.253
tors. eta vs tors. theta energy: 0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -344.220443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.220443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.220443 (E_RNA)
where:
Base-Base interactions energy: -127.974
where: short stacking energy: -91.102
Base-Backbone interact. energy: 0.749
local terms energy: -216.994832
where:
bonds (distance) C4'-P energy: -64.852
bonds (distance) P-C4' energy: -64.308
flat angles C4'-P-C4' energy: -44.338
flat angles P-C4'-P energy: -32.008
tors. eta vs tors. theta energy: -11.489
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: 103
Temperature: 1.350000
Total energy: -299.622949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.622949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.622949 (E_RNA)
where:
Base-Base interactions energy: -111.341
where: short stacking energy: -79.829
Base-Backbone interact. energy: 0.508
local terms energy: -188.789867
where:
bonds (distance) C4'-P energy: -57.804
bonds (distance) P-C4' energy: -60.753
flat angles C4'-P-C4' energy: -50.220
flat angles P-C4'-P energy: -27.665
tors. eta vs tors. theta energy: 7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1155.239194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.239194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.239194 (E_RNA)
where:
Base-Base interactions energy: -794.471
where: short stacking energy: -324.796
Base-Backbone interact. energy: -1.956
local terms energy: -358.812288
where:
bonds (distance) C4'-P energy: -66.980
bonds (distance) P-C4' energy: -67.908
flat angles C4'-P-C4' energy: -83.089
flat angles P-C4'-P energy: -46.191
tors. eta vs tors. theta energy: -94.644
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: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1029.231497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.231497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.231497 (E_RNA)
where:
Base-Base interactions energy: -694.834
where: short stacking energy: -307.023
Base-Backbone interact. energy: -1.014
local terms energy: -333.383622
where:
bonds (distance) C4'-P energy: -56.210
bonds (distance) P-C4' energy: -74.582
flat angles C4'-P-C4' energy: -68.115
flat angles P-C4'-P energy: -44.703
tors. eta vs tors. theta energy: -89.773
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: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -930.853712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.853712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.853712 (E_RNA)
where:
Base-Base interactions energy: -609.745
where: short stacking energy: -294.840
Base-Backbone interact. energy: -0.406
local terms energy: -320.702789
where:
bonds (distance) C4'-P energy: -63.535
bonds (distance) P-C4' energy: -63.668
flat angles C4'-P-C4' energy: -67.378
flat angles P-C4'-P energy: -39.134
tors. eta vs tors. theta energy: -86.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -906.968947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.968947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.968947 (E_RNA)
where:
Base-Base interactions energy: -578.873
where: short stacking energy: -238.313
Base-Backbone interact. energy: 1.198
local terms energy: -329.294011
where:
bonds (distance) C4'-P energy: -70.018
bonds (distance) P-C4' energy: -72.179
flat angles C4'-P-C4' energy: -65.552
flat angles P-C4'-P energy: -49.578
tors. eta vs tors. theta energy: -71.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -775.283601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.283601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.283601 (E_RNA)
where:
Base-Base interactions energy: -493.034
where: short stacking energy: -212.901
Base-Backbone interact. energy: -0.193
local terms energy: -282.055869
where:
bonds (distance) C4'-P energy: -60.200
bonds (distance) P-C4' energy: -59.612
flat angles C4'-P-C4' energy: -64.908
flat angles P-C4'-P energy: -37.549
tors. eta vs tors. theta energy: -59.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -755.643915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.643915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.643915 (E_RNA)
where:
Base-Base interactions energy: -481.426
where: short stacking energy: -224.270
Base-Backbone interact. energy: -2.887
local terms energy: -271.330904
where:
bonds (distance) C4'-P energy: -52.960
bonds (distance) P-C4' energy: -62.056
flat angles C4'-P-C4' energy: -60.537
flat angles P-C4'-P energy: -35.006
tors. eta vs tors. theta energy: -60.772
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: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -559.929506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.929506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.929506 (E_RNA)
where:
Base-Base interactions energy: -329.241
where: short stacking energy: -169.527
Base-Backbone interact. energy: -1.441
local terms energy: -229.247781
where:
bonds (distance) C4'-P energy: -61.612
bonds (distance) P-C4' energy: -56.558
flat angles C4'-P-C4' energy: -45.613
flat angles P-C4'-P energy: -37.915
tors. eta vs tors. theta energy: -27.550
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: 7
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -391.673675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.673675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.673675 (E_RNA)
where:
Base-Base interactions energy: -200.828
where: short stacking energy: -120.628
Base-Backbone interact. energy: -2.262
local terms energy: -188.583417
where:
bonds (distance) C4'-P energy: -55.293
bonds (distance) P-C4' energy: -45.032
flat angles C4'-P-C4' energy: -48.707
flat angles P-C4'-P energy: -38.008
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -325.712843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.712843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.712843 (E_RNA)
where:
Base-Base interactions energy: -133.440
where: short stacking energy: -73.123
Base-Backbone interact. energy: -0.262
local terms energy: -192.010706
where:
bonds (distance) C4'-P energy: -58.441
bonds (distance) P-C4' energy: -59.011
flat angles C4'-P-C4' energy: -58.481
flat angles P-C4'-P energy: -28.270
tors. eta vs tors. theta energy: 12.192
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: 104
Temperature: 1.350000
Total energy: -272.098716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.098716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.098716 (E_RNA)
where:
Base-Base interactions energy: -102.696
where: short stacking energy: -75.665
Base-Backbone interact. energy: 3.692
local terms energy: -173.094462
where:
bonds (distance) C4'-P energy: -47.329
bonds (distance) P-C4' energy: -63.937
flat angles C4'-P-C4' energy: -46.699
flat angles P-C4'-P energy: -29.336
tors. eta vs tors. theta energy: 14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1152.549827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.549827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.549827 (E_RNA)
where:
Base-Base interactions energy: -786.500
where: short stacking energy: -344.744
Base-Backbone interact. energy: -0.093
local terms energy: -365.956273
where:
bonds (distance) C4'-P energy: -65.835
bonds (distance) P-C4' energy: -60.015
flat angles C4'-P-C4' energy: -76.650
flat angles P-C4'-P energy: -53.291
tors. eta vs tors. theta energy: -110.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -977.095949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.095949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.095949 (E_RNA)
where:
Base-Base interactions energy: -648.035
where: short stacking energy: -272.511
Base-Backbone interact. energy: -1.623
local terms energy: -327.437489
where:
bonds (distance) C4'-P energy: -60.468
bonds (distance) P-C4' energy: -69.884
flat angles C4'-P-C4' energy: -71.895
flat angles P-C4'-P energy: -42.523
tors. eta vs tors. theta energy: -82.667
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: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -930.471623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.471623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.471623 (E_RNA)
where:
Base-Base interactions energy: -594.828
where: short stacking energy: -274.691
Base-Backbone interact. energy: 0.236
local terms energy: -335.879356
where:
bonds (distance) C4'-P energy: -64.923
bonds (distance) P-C4' energy: -69.035
flat angles C4'-P-C4' energy: -67.496
flat angles P-C4'-P energy: -47.123
tors. eta vs tors. theta energy: -87.302
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: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -899.297911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.297911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.297911 (E_RNA)
where:
Base-Base interactions energy: -587.982
where: short stacking energy: -264.752
Base-Backbone interact. energy: -0.588
local terms energy: -310.794774
where:
bonds (distance) C4'-P energy: -58.216
bonds (distance) P-C4' energy: -56.281
flat angles C4'-P-C4' energy: -78.181
flat angles P-C4'-P energy: -45.948
tors. eta vs tors. theta energy: -72.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -812.340477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.340477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.340477 (E_RNA)
where:
Base-Base interactions energy: -507.068
where: short stacking energy: -225.034
Base-Backbone interact. energy: 0.935
local terms energy: -306.208224
where:
bonds (distance) C4'-P energy: -69.202
bonds (distance) P-C4' energy: -65.672
flat angles C4'-P-C4' energy: -72.484
flat angles P-C4'-P energy: -39.032
tors. eta vs tors. theta energy: -59.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -757.403440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.403440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.403440 (E_RNA)
where:
Base-Base interactions energy: -499.436
where: short stacking energy: -212.279
Base-Backbone interact. energy: -0.174
local terms energy: -257.793433
where:
bonds (distance) C4'-P energy: -52.915
bonds (distance) P-C4' energy: -61.519
flat angles C4'-P-C4' energy: -56.347
flat angles P-C4'-P energy: -36.505
tors. eta vs tors. theta energy: -50.507
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: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -579.821870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.821870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.821870 (E_RNA)
where:
Base-Base interactions energy: -357.277
where: short stacking energy: -162.146
Base-Backbone interact. energy: 0.526
local terms energy: -223.070251
where:
bonds (distance) C4'-P energy: -52.376
bonds (distance) P-C4' energy: -61.377
flat angles C4'-P-C4' energy: -62.032
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -29.372
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: 8, replica: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -450.485346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.485346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.485346 (E_RNA)
where:
Base-Base interactions energy: -204.921
where: short stacking energy: -128.126
Base-Backbone interact. energy: -2.861
local terms energy: -242.703010
where:
bonds (distance) C4'-P energy: -66.716
bonds (distance) P-C4' energy: -63.585
flat angles C4'-P-C4' energy: -68.028
flat angles P-C4'-P energy: -32.195
tors. eta vs tors. theta energy: -12.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -293.689476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.689476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.689476 (E_RNA)
where:
Base-Base interactions energy: -110.845
where: short stacking energy: -84.934
Base-Backbone interact. energy: -0.587
local terms energy: -182.257166
where:
bonds (distance) C4'-P energy: -48.434
bonds (distance) P-C4' energy: -51.857
flat angles C4'-P-C4' energy: -48.171
flat angles P-C4'-P energy: -36.858
tors. eta vs tors. theta energy: 3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -281.705036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.705036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.705036 (E_RNA)
where:
Base-Base interactions energy: -111.048
where: short stacking energy: -73.278
Base-Backbone interact. energy: 0.102
local terms energy: -170.759035
where:
bonds (distance) C4'-P energy: -47.256
bonds (distance) P-C4' energy: -60.370
flat angles C4'-P-C4' energy: -41.985
flat angles P-C4'-P energy: -28.888
tors. eta vs tors. theta energy: 7.741
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: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1140.180240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.180240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.180240 (E_RNA)
where:
Base-Base interactions energy: -782.500
where: short stacking energy: -313.408
Base-Backbone interact. energy: 2.338
local terms energy: -360.018871
where:
bonds (distance) C4'-P energy: -66.094
bonds (distance) P-C4' energy: -56.827
flat angles C4'-P-C4' energy: -80.782
flat angles P-C4'-P energy: -47.258
tors. eta vs tors. theta energy: -109.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1010.702179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.702179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.702179 (E_RNA)
where:
Base-Base interactions energy: -676.853
where: short stacking energy: -285.990
Base-Backbone interact. energy: -1.470
local terms energy: -332.379105
where:
bonds (distance) C4'-P energy: -61.739
bonds (distance) P-C4' energy: -70.623
flat angles C4'-P-C4' energy: -73.557
flat angles P-C4'-P energy: -45.505
tors. eta vs tors. theta energy: -80.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -912.016027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.016027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.016027 (E_RNA)
where:
Base-Base interactions energy: -578.537
where: short stacking energy: -260.699
Base-Backbone interact. energy: -0.776
local terms energy: -332.702783
where:
bonds (distance) C4'-P energy: -66.292
bonds (distance) P-C4' energy: -67.464
flat angles C4'-P-C4' energy: -68.726
flat angles P-C4'-P energy: -52.702
tors. eta vs tors. theta energy: -77.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -893.782004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.782004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.782004 (E_RNA)
where:
Base-Base interactions energy: -593.524
where: short stacking energy: -250.388
Base-Backbone interact. energy: -0.615
local terms energy: -300.602848
where:
bonds (distance) C4'-P energy: -56.908
bonds (distance) P-C4' energy: -59.351
flat angles C4'-P-C4' energy: -61.058
flat angles P-C4'-P energy: -48.701
tors. eta vs tors. theta energy: -74.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.959 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -851.126005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.126005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.126005 (E_RNA)
where:
Base-Base interactions energy: -555.457
where: short stacking energy: -246.999
Base-Backbone interact. energy: -1.153
local terms energy: -294.516340
where:
bonds (distance) C4'-P energy: -67.482
bonds (distance) P-C4' energy: -63.388
flat angles C4'-P-C4' energy: -59.068
flat angles P-C4'-P energy: -44.222
tors. eta vs tors. theta energy: -60.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -738.084109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.084109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.084109 (E_RNA)
where:
Base-Base interactions energy: -457.770
where: short stacking energy: -189.644
Base-Backbone interact. energy: -0.496
local terms energy: -279.818248
where:
bonds (distance) C4'-P energy: -61.013
bonds (distance) P-C4' energy: -60.009
flat angles C4'-P-C4' energy: -60.610
flat angles P-C4'-P energy: -55.914
tors. eta vs tors. theta energy: -42.273
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: 106
Temperature: 1.200000
Total energy: -587.934890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.934890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.934890 (E_RNA)
where:
Base-Base interactions energy: -394.235
where: short stacking energy: -169.774
Base-Backbone interact. energy: -1.614
local terms energy: -192.085464
where:
bonds (distance) C4'-P energy: -52.411
bonds (distance) P-C4' energy: -52.108
flat angles C4'-P-C4' energy: -53.999
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -441.590838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.590838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.590838 (E_RNA)
where:
Base-Base interactions energy: -231.931
where: short stacking energy: -127.483
Base-Backbone interact. energy: -0.525
local terms energy: -209.135554
where:
bonds (distance) C4'-P energy: -48.341
bonds (distance) P-C4' energy: -53.277
flat angles C4'-P-C4' energy: -56.559
flat angles P-C4'-P energy: -33.189
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: 3
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -291.054628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.054628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.054628 (E_RNA)
where:
Base-Base interactions energy: -100.053
where: short stacking energy: -81.782
Base-Backbone interact. energy: -0.242
local terms energy: -190.759024
where:
bonds (distance) C4'-P energy: -50.100
bonds (distance) P-C4' energy: -57.164
flat angles C4'-P-C4' energy: -59.050
flat angles P-C4'-P energy: -31.494
tors. eta vs tors. theta energy: 7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -265.901406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.901406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.901406 (E_RNA)
where:
Base-Base interactions energy: -110.712
where: short stacking energy: -81.676
Base-Backbone interact. energy: 0.043
local terms energy: -155.232366
where:
bonds (distance) C4'-P energy: -47.003
bonds (distance) P-C4' energy: -55.062
flat angles C4'-P-C4' energy: -42.150
flat angles P-C4'-P energy: -17.916
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: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1140.114599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.114599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.114599 (E_RNA)
where:
Base-Base interactions energy: -777.444
where: short stacking energy: -326.277
Base-Backbone interact. energy: -2.093
local terms energy: -360.577917
where:
bonds (distance) C4'-P energy: -71.827
bonds (distance) P-C4' energy: -68.879
flat angles C4'-P-C4' energy: -71.401
flat angles P-C4'-P energy: -45.090
tors. eta vs tors. theta energy: -103.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1012.446194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.446194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.446194 (E_RNA)
where:
Base-Base interactions energy: -676.364
where: short stacking energy: -255.677
Base-Backbone interact. energy: 0.965
local terms energy: -337.046668
where:
bonds (distance) C4'-P energy: -70.558
bonds (distance) P-C4' energy: -67.166
flat angles C4'-P-C4' energy: -71.462
flat angles P-C4'-P energy: -48.748
tors. eta vs tors. theta energy: -79.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -950.492774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.492774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.492774 (E_RNA)
where:
Base-Base interactions energy: -619.907
where: short stacking energy: -281.210
Base-Backbone interact. energy: -2.368
local terms energy: -328.218065
where:
bonds (distance) C4'-P energy: -64.714
bonds (distance) P-C4' energy: -66.084
flat angles C4'-P-C4' energy: -64.950
flat angles P-C4'-P energy: -44.991
tors. eta vs tors. theta energy: -87.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -927.028647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.028647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.028647 (E_RNA)
where:
Base-Base interactions energy: -603.747
where: short stacking energy: -252.081
Base-Backbone interact. energy: -1.059
local terms energy: -323.293695
where:
bonds (distance) C4'-P energy: -64.237
bonds (distance) P-C4' energy: -70.412
flat angles C4'-P-C4' energy: -70.608
flat angles P-C4'-P energy: -43.561
tors. eta vs tors. theta energy: -74.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.072 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -818.991199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.991199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.991199 (E_RNA)
where:
Base-Base interactions energy: -525.615
where: short stacking energy: -228.481
Base-Backbone interact. energy: -0.111
local terms energy: -293.265345
where:
bonds (distance) C4'-P energy: -61.988
bonds (distance) P-C4' energy: -67.910
flat angles C4'-P-C4' energy: -64.174
flat angles P-C4'-P energy: -43.826
tors. eta vs tors. theta energy: -55.367
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: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -797.548490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.548490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.548490 (E_RNA)
where:
Base-Base interactions energy: -530.759
where: short stacking energy: -228.827
Base-Backbone interact. energy: -1.085
local terms energy: -265.704599
where:
bonds (distance) C4'-P energy: -49.249
bonds (distance) P-C4' energy: -50.226
flat angles C4'-P-C4' energy: -61.323
flat angles P-C4'-P energy: -38.063
tors. eta vs tors. theta energy: -66.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -563.688281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.688281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.688281 (E_RNA)
where:
Base-Base interactions energy: -331.784
where: short stacking energy: -161.285
Base-Backbone interact. energy: -0.369
local terms energy: -231.535126
where:
bonds (distance) C4'-P energy: -62.856
bonds (distance) P-C4' energy: -57.337
flat angles C4'-P-C4' energy: -57.884
flat angles P-C4'-P energy: -29.013
tors. eta vs tors. theta energy: -24.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -432.486270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.486270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.486270 (E_RNA)
where:
Base-Base interactions energy: -223.945
where: short stacking energy: -122.048
Base-Backbone interact. energy: -1.619
local terms energy: -206.922800
where:
bonds (distance) C4'-P energy: -50.944
bonds (distance) P-C4' energy: -59.188
flat angles C4'-P-C4' energy: -46.105
flat angles P-C4'-P energy: -44.631
tors. eta vs tors. theta energy: -6.055
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: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -291.100444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.100444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.100444 (E_RNA)
where:
Base-Base interactions energy: -100.778
where: short stacking energy: -90.653
Base-Backbone interact. energy: -1.261
local terms energy: -189.061805
where:
bonds (distance) C4'-P energy: -67.285
bonds (distance) P-C4' energy: -58.019
flat angles C4'-P-C4' energy: -43.904
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: 6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -269.157917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.157917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.157917 (E_RNA)
where:
Base-Base interactions energy: -116.480
where: short stacking energy: -83.798
Base-Backbone interact. energy: -1.165
local terms energy: -151.513492
where:
bonds (distance) C4'-P energy: -50.721
bonds (distance) P-C4' energy: -44.668
flat angles C4'-P-C4' energy: -36.366
flat angles P-C4'-P energy: -22.813
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: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1142.006430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.006430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.006430 (E_RNA)
where:
Base-Base interactions energy: -760.795
where: short stacking energy: -320.053
Base-Backbone interact. energy: -2.638
local terms energy: -378.573771
where:
bonds (distance) C4'-P energy: -71.301
bonds (distance) P-C4' energy: -79.599
flat angles C4'-P-C4' energy: -76.326
flat angles P-C4'-P energy: -53.447
tors. eta vs tors. theta energy: -97.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1022.366251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.366251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.366251 (E_RNA)
where:
Base-Base interactions energy: -700.406
where: short stacking energy: -289.624
Base-Backbone interact. energy: -0.166
local terms energy: -321.793852
where:
bonds (distance) C4'-P energy: -60.541
bonds (distance) P-C4' energy: -72.745
flat angles C4'-P-C4' energy: -59.027
flat angles P-C4'-P energy: -46.182
tors. eta vs tors. theta energy: -83.298
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: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1009.497937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.497937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.497937 (E_RNA)
where:
Base-Base interactions energy: -680.477
where: short stacking energy: -271.379
Base-Backbone interact. energy: -0.940
local terms energy: -328.081114
where:
bonds (distance) C4'-P energy: -70.017
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -72.281
flat angles P-C4'-P energy: -49.147
tors. eta vs tors. theta energy: -80.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -901.328594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.328594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.328594 (E_RNA)
where:
Base-Base interactions energy: -583.808
where: short stacking energy: -270.959
Base-Backbone interact. energy: -1.055
local terms energy: -316.464651
where:
bonds (distance) C4'-P energy: -56.634
bonds (distance) P-C4' energy: -65.649
flat angles C4'-P-C4' energy: -71.073
flat angles P-C4'-P energy: -38.041
tors. eta vs tors. theta energy: -85.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -840.108505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.108505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.108505 (E_RNA)
where:
Base-Base interactions energy: -552.996
where: short stacking energy: -221.036
Base-Backbone interact. energy: -2.186
local terms energy: -284.926895
where:
bonds (distance) C4'-P energy: -46.811
bonds (distance) P-C4' energy: -67.661
flat angles C4'-P-C4' energy: -72.254
flat angles P-C4'-P energy: -49.592
tors. eta vs tors. theta energy: -48.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -774.385685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.385685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.385685 (E_RNA)
where:
Base-Base interactions energy: -495.647
where: short stacking energy: -214.563
Base-Backbone interact. energy: -1.172
local terms energy: -277.566739
where:
bonds (distance) C4'-P energy: -55.655
bonds (distance) P-C4' energy: -58.920
flat angles C4'-P-C4' energy: -68.173
flat angles P-C4'-P energy: -41.303
tors. eta vs tors. theta energy: -53.515
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: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -602.165437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.165437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.165437 (E_RNA)
where:
Base-Base interactions energy: -363.390
where: short stacking energy: -177.038
Base-Backbone interact. energy: -1.268
local terms energy: -237.507345
where:
bonds (distance) C4'-P energy: -50.436
bonds (distance) P-C4' energy: -56.525
flat angles C4'-P-C4' energy: -65.635
flat angles P-C4'-P energy: -30.392
tors. eta vs tors. theta energy: -34.519
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: 108
Temperature: 1.250000
Total energy: -414.063999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.063999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.063999 (E_RNA)
where:
Base-Base interactions energy: -198.880
where: short stacking energy: -117.416
Base-Backbone interact. energy: 4.247
local terms energy: -219.431043
where:
bonds (distance) C4'-P energy: -50.291
bonds (distance) P-C4' energy: -58.281
flat angles C4'-P-C4' energy: -65.677
flat angles P-C4'-P energy: -35.988
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -316.862686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.862686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.862686 (E_RNA)
where:
Base-Base interactions energy: -116.069
where: short stacking energy: -108.033
Base-Backbone interact. energy: -1.650
local terms energy: -199.143154
where:
bonds (distance) C4'-P energy: -56.348
bonds (distance) P-C4' energy: -58.315
flat angles C4'-P-C4' energy: -52.856
flat angles P-C4'-P energy: -25.906
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: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -259.386370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.386370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.386370 (E_RNA)
where:
Base-Base interactions energy: -93.305
where: short stacking energy: -70.926
Base-Backbone interact. energy: -0.617
local terms energy: -165.886473
where:
bonds (distance) C4'-P energy: -55.439
bonds (distance) P-C4' energy: -51.416
flat angles C4'-P-C4' energy: -43.632
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: 21.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1147.852211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.852211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.852211 (E_RNA)
where:
Base-Base interactions energy: -789.794
where: short stacking energy: -321.494
Base-Backbone interact. energy: -1.705
local terms energy: -356.352926
where:
bonds (distance) C4'-P energy: -68.255
bonds (distance) P-C4' energy: -64.800
flat angles C4'-P-C4' energy: -73.596
flat angles P-C4'-P energy: -44.209
tors. eta vs tors. theta energy: -105.492
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: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1050.455228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.455228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.455228 (E_RNA)
where:
Base-Base interactions energy: -704.192
where: short stacking energy: -275.992
Base-Backbone interact. energy: -1.238
local terms energy: -345.025799
where:
bonds (distance) C4'-P energy: -66.106
bonds (distance) P-C4' energy: -74.110
flat angles C4'-P-C4' energy: -69.470
flat angles P-C4'-P energy: -49.814
tors. eta vs tors. theta energy: -85.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1009.340174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.340174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.340174 (E_RNA)
where:
Base-Base interactions energy: -673.624
where: short stacking energy: -294.770
Base-Backbone interact. energy: -2.809
local terms energy: -332.906660
where:
bonds (distance) C4'-P energy: -63.318
bonds (distance) P-C4' energy: -62.749
flat angles C4'-P-C4' energy: -78.519
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: -88.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -921.333153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.333153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.333153 (E_RNA)
where:
Base-Base interactions energy: -588.215
where: short stacking energy: -257.690
Base-Backbone interact. energy: -1.513
local terms energy: -331.604654
where:
bonds (distance) C4'-P energy: -70.867
bonds (distance) P-C4' energy: -62.726
flat angles C4'-P-C4' energy: -61.575
flat angles P-C4'-P energy: -57.499
tors. eta vs tors. theta energy: -78.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -856.828488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.828488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.828488 (E_RNA)
where:
Base-Base interactions energy: -564.680
where: short stacking energy: -206.707
Base-Backbone interact. energy: -0.690
local terms energy: -291.458314
where:
bonds (distance) C4'-P energy: -65.911
bonds (distance) P-C4' energy: -61.729
flat angles C4'-P-C4' energy: -67.362
flat angles P-C4'-P energy: -37.391
tors. eta vs tors. theta energy: -59.066
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: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -736.968142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.968142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.968142 (E_RNA)
where:
Base-Base interactions energy: -477.638
where: short stacking energy: -204.904
Base-Backbone interact. energy: -1.062
local terms energy: -258.268037
where:
bonds (distance) C4'-P energy: -60.921
bonds (distance) P-C4' energy: -57.459
flat angles C4'-P-C4' energy: -64.505
flat angles P-C4'-P energy: -32.990
tors. eta vs tors. theta energy: -42.394
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: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -608.500730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.500730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.500730 (E_RNA)
where:
Base-Base interactions energy: -359.664
where: short stacking energy: -174.984
Base-Backbone interact. energy: 0.236
local terms energy: -249.073242
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -67.143
flat angles C4'-P-C4' energy: -62.911
flat angles P-C4'-P energy: -43.341
tors. eta vs tors. theta energy: -26.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -424.085385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.085385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.085385 (E_RNA)
where:
Base-Base interactions energy: -219.162
where: short stacking energy: -109.480
Base-Backbone interact. energy: -0.596
local terms energy: -204.327448
where:
bonds (distance) C4'-P energy: -48.191
bonds (distance) P-C4' energy: -59.627
flat angles C4'-P-C4' energy: -48.940
flat angles P-C4'-P energy: -37.307
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: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -307.075310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.075310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.075310 (E_RNA)
where:
Base-Base interactions energy: -114.409
where: short stacking energy: -82.840
Base-Backbone interact. energy: 2.458
local terms energy: -195.124226
where:
bonds (distance) C4'-P energy: -55.446
bonds (distance) P-C4' energy: -59.483
flat angles C4'-P-C4' energy: -54.248
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: 6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -264.150524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.150524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.150524 (E_RNA)
where:
Base-Base interactions energy: -83.389
where: short stacking energy: -63.601
Base-Backbone interact. energy: 0.020
local terms energy: -180.781419
where:
bonds (distance) C4'-P energy: -54.457
bonds (distance) P-C4' energy: -57.913
flat angles C4'-P-C4' energy: -48.786
flat angles P-C4'-P energy: -30.666
tors. eta vs tors. theta energy: 11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1134.747547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.747547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.747547 (E_RNA)
where:
Base-Base interactions energy: -781.531
where: short stacking energy: -316.398
Base-Backbone interact. energy: -0.098
local terms energy: -353.118968
where:
bonds (distance) C4'-P energy: -67.790
bonds (distance) P-C4' energy: -68.674
flat angles C4'-P-C4' energy: -70.470
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -101.729
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: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1055.070207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.070207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.070207 (E_RNA)
where:
Base-Base interactions energy: -710.125
where: short stacking energy: -296.768
Base-Backbone interact. energy: 0.089
local terms energy: -345.034070
where:
bonds (distance) C4'-P energy: -67.832
bonds (distance) P-C4' energy: -68.274
flat angles C4'-P-C4' energy: -69.520
flat angles P-C4'-P energy: -48.065
tors. eta vs tors. theta energy: -91.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -997.403353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.403353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.403353 (E_RNA)
where:
Base-Base interactions energy: -683.844
where: short stacking energy: -278.103
Base-Backbone interact. energy: -1.305
local terms energy: -312.254818
where:
bonds (distance) C4'-P energy: -55.252
bonds (distance) P-C4' energy: -55.548
flat angles C4'-P-C4' energy: -76.660
flat angles P-C4'-P energy: -48.682
tors. eta vs tors. theta energy: -76.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -907.646145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.646145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.646145 (E_RNA)
where:
Base-Base interactions energy: -589.369
where: short stacking energy: -266.993
Base-Backbone interact. energy: -2.265
local terms energy: -316.011790
where:
bonds (distance) C4'-P energy: -71.802
bonds (distance) P-C4' energy: -67.041
flat angles C4'-P-C4' energy: -62.917
flat angles P-C4'-P energy: -40.680
tors. eta vs tors. theta energy: -73.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -829.017879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.017879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.017879 (E_RNA)
where:
Base-Base interactions energy: -553.483
where: short stacking energy: -234.573
Base-Backbone interact. energy: -1.703
local terms energy: -273.831677
where:
bonds (distance) C4'-P energy: -47.299
bonds (distance) P-C4' energy: -63.461
flat angles C4'-P-C4' energy: -63.946
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -60.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -725.107138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.107138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.107138 (E_RNA)
where:
Base-Base interactions energy: -447.582
where: short stacking energy: -196.213
Base-Backbone interact. energy: 6.104
local terms energy: -283.628754
where:
bonds (distance) C4'-P energy: -73.528
bonds (distance) P-C4' energy: -66.862
flat angles C4'-P-C4' energy: -73.646
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -35.981
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: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -575.864729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.864729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.864729 (E_RNA)
where:
Base-Base interactions energy: -339.841
where: short stacking energy: -174.857
Base-Backbone interact. energy: 0.432
local terms energy: -236.455088
where:
bonds (distance) C4'-P energy: -51.323
bonds (distance) P-C4' energy: -62.924
flat angles C4'-P-C4' energy: -54.347
flat angles P-C4'-P energy: -34.200
tors. eta vs tors. theta energy: -33.662
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: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -452.575291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.575291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.575291 (E_RNA)
where:
Base-Base interactions energy: -225.105
where: short stacking energy: -125.220
Base-Backbone interact. energy: -0.407
local terms energy: -227.064228
where:
bonds (distance) C4'-P energy: -59.492
bonds (distance) P-C4' energy: -61.703
flat angles C4'-P-C4' energy: -62.332
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -285.194851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.194851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.194851 (E_RNA)
where:
Base-Base interactions energy: -97.097
where: short stacking energy: -74.936
Base-Backbone interact. energy: 1.660
local terms energy: -189.757602
where:
bonds (distance) C4'-P energy: -51.070
bonds (distance) P-C4' energy: -62.494
flat angles C4'-P-C4' energy: -52.663
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: 6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -294.869470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.869470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.869470 (E_RNA)
where:
Base-Base interactions energy: -100.283
where: short stacking energy: -90.037
Base-Backbone interact. energy: -0.685
local terms energy: -193.901115
where:
bonds (distance) C4'-P energy: -60.530
bonds (distance) P-C4' energy: -51.270
flat angles C4'-P-C4' energy: -55.854
flat angles P-C4'-P energy: -26.884
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1119.483637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.483637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.483637 (E_RNA)
where:
Base-Base interactions energy: -740.787
where: short stacking energy: -303.988
Base-Backbone interact. energy: -0.495
local terms energy: -378.201899
where:
bonds (distance) C4'-P energy: -68.127
bonds (distance) P-C4' energy: -78.711
flat angles C4'-P-C4' energy: -75.835
flat angles P-C4'-P energy: -52.526
tors. eta vs tors. theta energy: -103.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1054.964504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.964504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.964504 (E_RNA)
where:
Base-Base interactions energy: -726.898
where: short stacking energy: -292.708
Base-Backbone interact. energy: 0.315
local terms energy: -328.381496
where:
bonds (distance) C4'-P energy: -57.973
bonds (distance) P-C4' energy: -65.317
flat angles C4'-P-C4' energy: -73.828
flat angles P-C4'-P energy: -48.210
tors. eta vs tors. theta energy: -83.055
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: 111
Temperature: 1.000000
Total energy: -1010.240251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.240251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.240251 (E_RNA)
where:
Base-Base interactions energy: -683.293
where: short stacking energy: -270.231
Base-Backbone interact. energy: -3.381
local terms energy: -323.566671
where:
bonds (distance) C4'-P energy: -67.777
bonds (distance) P-C4' energy: -57.958
flat angles C4'-P-C4' energy: -65.969
flat angles P-C4'-P energy: -44.153
tors. eta vs tors. theta energy: -87.711
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: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -909.423963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.423963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.423963 (E_RNA)
where:
Base-Base interactions energy: -590.294
where: short stacking energy: -259.790
Base-Backbone interact. energy: -1.168
local terms energy: -317.961668
where:
bonds (distance) C4'-P energy: -61.430
bonds (distance) P-C4' energy: -68.193
flat angles C4'-P-C4' energy: -68.084
flat angles P-C4'-P energy: -43.864
tors. eta vs tors. theta energy: -76.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -839.399635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.399635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.399635 (E_RNA)
where:
Base-Base interactions energy: -550.421
where: short stacking energy: -231.934
Base-Backbone interact. energy: -0.631
local terms energy: -288.348215
where:
bonds (distance) C4'-P energy: -57.320
bonds (distance) P-C4' energy: -59.141
flat angles C4'-P-C4' energy: -66.242
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -60.961
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: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -757.778256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.778256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.778256 (E_RNA)
where:
Base-Base interactions energy: -485.533
where: short stacking energy: -204.097
Base-Backbone interact. energy: 0.596
local terms energy: -272.840848
where:
bonds (distance) C4'-P energy: -61.407
bonds (distance) P-C4' energy: -60.360
flat angles C4'-P-C4' energy: -67.460
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -46.451
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: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -546.250917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.250917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.250917 (E_RNA)
where:
Base-Base interactions energy: -289.334
where: short stacking energy: -137.891
Base-Backbone interact. energy: -0.249
local terms energy: -256.667873
where:
bonds (distance) C4'-P energy: -65.823
bonds (distance) P-C4' energy: -72.210
flat angles C4'-P-C4' energy: -61.558
flat angles P-C4'-P energy: -30.031
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -470.367030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.367030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.367030 (E_RNA)
where:
Base-Base interactions energy: -244.447
where: short stacking energy: -153.506
Base-Backbone interact. energy: -1.654
local terms energy: -224.266119
where:
bonds (distance) C4'-P energy: -59.732
bonds (distance) P-C4' energy: -58.432
flat angles C4'-P-C4' energy: -56.329
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -23.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -351.882760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.882760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.882760 (E_RNA)
where:
Base-Base interactions energy: -142.542
where: short stacking energy: -93.822
Base-Backbone interact. energy: 0.125
local terms energy: -209.465508
where:
bonds (distance) C4'-P energy: -49.466
bonds (distance) P-C4' energy: -63.131
flat angles C4'-P-C4' energy: -59.273
flat angles P-C4'-P energy: -34.968
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -363.925023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.925023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.925023 (E_RNA)
where:
Base-Base interactions energy: -171.190
where: short stacking energy: -100.197
Base-Backbone interact. energy: 3.522
local terms energy: -196.256801
where:
bonds (distance) C4'-P energy: -46.535
bonds (distance) P-C4' energy: -56.936
flat angles C4'-P-C4' energy: -60.587
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: 1.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1086.950505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.950505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.950505 (E_RNA)
where:
Base-Base interactions energy: -737.893
where: short stacking energy: -293.569
Base-Backbone interact. energy: 0.417
local terms energy: -349.474951
where:
bonds (distance) C4'-P energy: -72.812
bonds (distance) P-C4' energy: -71.765
flat angles C4'-P-C4' energy: -65.529
flat angles P-C4'-P energy: -48.914
tors. eta vs tors. theta energy: -90.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1114.270115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.270115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.270115 (E_RNA)
where:
Base-Base interactions energy: -755.452
where: short stacking energy: -316.616
Base-Backbone interact. energy: -1.640
local terms energy: -357.178391
where:
bonds (distance) C4'-P energy: -62.980
bonds (distance) P-C4' energy: -65.440
flat angles C4'-P-C4' energy: -80.979
flat angles P-C4'-P energy: -50.497
tors. eta vs tors. theta energy: -97.282
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: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -973.280364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.280364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.280364 (E_RNA)
where:
Base-Base interactions energy: -666.684
where: short stacking energy: -279.886
Base-Backbone interact. energy: -2.257
local terms energy: -304.338804
where:
bonds (distance) C4'-P energy: -59.938
bonds (distance) P-C4' energy: -69.307
flat angles C4'-P-C4' energy: -67.809
flat angles P-C4'-P energy: -36.424
tors. eta vs tors. theta energy: -70.861
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: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -916.663598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.663598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.663598 (E_RNA)
where:
Base-Base interactions energy: -595.684
where: short stacking energy: -272.711
Base-Backbone interact. energy: 3.000
local terms energy: -323.979170
where:
bonds (distance) C4'-P energy: -63.653
bonds (distance) P-C4' energy: -59.455
flat angles C4'-P-C4' energy: -71.209
flat angles P-C4'-P energy: -48.685
tors. eta vs tors. theta energy: -80.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -825.264720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.264720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.264720 (E_RNA)
where:
Base-Base interactions energy: -518.702
where: short stacking energy: -241.161
Base-Backbone interact. energy: -0.281
local terms energy: -306.282513
where:
bonds (distance) C4'-P energy: -54.702
bonds (distance) P-C4' energy: -59.269
flat angles C4'-P-C4' energy: -64.926
flat angles P-C4'-P energy: -57.315
tors. eta vs tors. theta energy: -70.071
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: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -741.421069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.421069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.421069 (E_RNA)
where:
Base-Base interactions energy: -466.942
where: short stacking energy: -214.075
Base-Backbone interact. energy: 0.475
local terms energy: -274.953631
where:
bonds (distance) C4'-P energy: -57.921
bonds (distance) P-C4' energy: -55.502
flat angles C4'-P-C4' energy: -66.824
flat angles P-C4'-P energy: -33.073
tors. eta vs tors. theta energy: -61.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -587.397767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.397767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.397767 (E_RNA)
where:
Base-Base interactions energy: -361.236
where: short stacking energy: -136.905
Base-Backbone interact. energy: 0.611
local terms energy: -226.772685
where:
bonds (distance) C4'-P energy: -58.012
bonds (distance) P-C4' energy: -57.029
flat angles C4'-P-C4' energy: -60.320
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -23.991
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: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -486.424000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.424000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.424000 (E_RNA)
where:
Base-Base interactions energy: -250.175
where: short stacking energy: -138.011
Base-Backbone interact. energy: -2.486
local terms energy: -233.762539
where:
bonds (distance) C4'-P energy: -67.593
bonds (distance) P-C4' energy: -55.204
flat angles C4'-P-C4' energy: -58.696
flat angles P-C4'-P energy: -38.152
tors. eta vs tors. theta energy: -14.119
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: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -364.068455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.068455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.068455 (E_RNA)
where:
Base-Base interactions energy: -184.581
where: short stacking energy: -88.414
Base-Backbone interact. energy: -1.005
local terms energy: -178.481972
where:
bonds (distance) C4'-P energy: -54.814
bonds (distance) P-C4' energy: -48.190
flat angles C4'-P-C4' energy: -56.189
flat angles P-C4'-P energy: -24.403
tors. eta vs tors. theta energy: 5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -370.434032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.434032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.434032 (E_RNA)
where:
Base-Base interactions energy: -174.913
where: short stacking energy: -122.878
Base-Backbone interact. energy: 0.732
local terms energy: -196.253013
where:
bonds (distance) C4'-P energy: -47.062
bonds (distance) P-C4' energy: -60.537
flat angles C4'-P-C4' energy: -51.340
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1098.616419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.616419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.616419 (E_RNA)
where:
Base-Base interactions energy: -753.827
where: short stacking energy: -302.870
Base-Backbone interact. energy: -0.598
local terms energy: -344.190620
where:
bonds (distance) C4'-P energy: -51.139
bonds (distance) P-C4' energy: -69.732
flat angles C4'-P-C4' energy: -75.601
flat angles P-C4'-P energy: -47.598
tors. eta vs tors. theta energy: -100.121
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: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1132.995926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.995926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.995926 (E_RNA)
where:
Base-Base interactions energy: -767.701
where: short stacking energy: -307.786
Base-Backbone interact. energy: -0.106
local terms energy: -365.189037
where:
bonds (distance) C4'-P energy: -58.221
bonds (distance) P-C4' energy: -76.450
flat angles C4'-P-C4' energy: -78.307
flat angles P-C4'-P energy: -49.246
tors. eta vs tors. theta energy: -102.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -973.243426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.243426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.243426 (E_RNA)
where:
Base-Base interactions energy: -653.425
where: short stacking energy: -289.003
Base-Backbone interact. energy: -0.572
local terms energy: -319.246165
where:
bonds (distance) C4'-P energy: -58.112
bonds (distance) P-C4' energy: -60.048
flat angles C4'-P-C4' energy: -72.597
flat angles P-C4'-P energy: -39.613
tors. eta vs tors. theta energy: -88.876
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: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -917.257714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.257714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.257714 (E_RNA)
where:
Base-Base interactions energy: -610.501
where: short stacking energy: -270.426
Base-Backbone interact. energy: -1.165
local terms energy: -305.591611
where:
bonds (distance) C4'-P energy: -49.295
bonds (distance) P-C4' energy: -69.456
flat angles C4'-P-C4' energy: -67.424
flat angles P-C4'-P energy: -45.300
tors. eta vs tors. theta energy: -74.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -790.053771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.053771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.053771 (E_RNA)
where:
Base-Base interactions energy: -504.318
where: short stacking energy: -231.747
Base-Backbone interact. energy: -0.786
local terms energy: -284.950034
where:
bonds (distance) C4'-P energy: -62.104
bonds (distance) P-C4' energy: -63.472
flat angles C4'-P-C4' energy: -65.466
flat angles P-C4'-P energy: -29.632
tors. eta vs tors. theta energy: -64.277
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: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -770.413924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.413924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.413924 (E_RNA)
where:
Base-Base interactions energy: -485.100
where: short stacking energy: -197.247
Base-Backbone interact. energy: 0.155
local terms energy: -285.468951
where:
bonds (distance) C4'-P energy: -72.552
bonds (distance) P-C4' energy: -73.011
flat angles C4'-P-C4' energy: -57.116
flat angles P-C4'-P energy: -28.652
tors. eta vs tors. theta energy: -54.138
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: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -614.352767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.352767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.352767 (E_RNA)
where:
Base-Base interactions energy: -370.175
where: short stacking energy: -179.354
Base-Backbone interact. energy: -1.600
local terms energy: -242.577965
where:
bonds (distance) C4'-P energy: -49.923
bonds (distance) P-C4' energy: -58.574
flat angles C4'-P-C4' energy: -58.607
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -32.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -482.993623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.993623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.993623 (E_RNA)
where:
Base-Base interactions energy: -268.261
where: short stacking energy: -138.512
Base-Backbone interact. energy: 0.860
local terms energy: -215.592410
where:
bonds (distance) C4'-P energy: -54.962
bonds (distance) P-C4' energy: -55.778
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -48.371
tors. eta vs tors. theta energy: -20.962
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: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -368.224756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.224756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.224756 (E_RNA)
where:
Base-Base interactions energy: -182.933
where: short stacking energy: -107.050
Base-Backbone interact. energy: -3.817
local terms energy: -181.474668
where:
bonds (distance) C4'-P energy: -66.436
bonds (distance) P-C4' energy: -56.576
flat angles C4'-P-C4' energy: -46.382
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: 11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -335.534530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.534530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.534530 (E_RNA)
where:
Base-Base interactions energy: -140.369
where: short stacking energy: -88.633
Base-Backbone interact. energy: 0.511
local terms energy: -195.677038
where:
bonds (distance) C4'-P energy: -61.506
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -59.470
flat angles P-C4'-P energy: -18.111
tors. eta vs tors. theta energy: -1.836
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: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1163.385444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.385444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.385444 (E_RNA)
where:
Base-Base interactions energy: -785.083
where: short stacking energy: -323.962
Base-Backbone interact. energy: -1.640
local terms energy: -376.662265
where:
bonds (distance) C4'-P energy: -72.496
bonds (distance) P-C4' energy: -74.004
flat angles C4'-P-C4' energy: -72.088
flat angles P-C4'-P energy: -56.311
tors. eta vs tors. theta energy: -101.763
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: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1061.796154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.796154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.796154 (E_RNA)
where:
Base-Base interactions energy: -724.913
where: short stacking energy: -296.447
Base-Backbone interact. energy: 1.324
local terms energy: -338.207138
where:
bonds (distance) C4'-P energy: -65.650
bonds (distance) P-C4' energy: -67.552
flat angles C4'-P-C4' energy: -69.994
flat angles P-C4'-P energy: -43.480
tors. eta vs tors. theta energy: -91.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -953.976585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.976585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.976585 (E_RNA)
where:
Base-Base interactions energy: -636.384
where: short stacking energy: -258.816
Base-Backbone interact. energy: -1.199
local terms energy: -316.393247
where:
bonds (distance) C4'-P energy: -58.150
bonds (distance) P-C4' energy: -62.742
flat angles C4'-P-C4' energy: -72.449
flat angles P-C4'-P energy: -49.440
tors. eta vs tors. theta energy: -73.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -911.183211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.183211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.183211 (E_RNA)
where:
Base-Base interactions energy: -593.476
where: short stacking energy: -269.562
Base-Backbone interact. energy: -1.497
local terms energy: -316.210452
where:
bonds (distance) C4'-P energy: -52.839
bonds (distance) P-C4' energy: -66.351
flat angles C4'-P-C4' energy: -64.014
flat angles P-C4'-P energy: -48.175
tors. eta vs tors. theta energy: -84.832
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: 114
Temperature: 1.100000
Total energy: -844.749026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.749026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.749026 (E_RNA)
where:
Base-Base interactions energy: -557.520
where: short stacking energy: -240.759
Base-Backbone interact. energy: -0.469
local terms energy: -286.759944
where:
bonds (distance) C4'-P energy: -57.163
bonds (distance) P-C4' energy: -64.586
flat angles C4'-P-C4' energy: -58.198
flat angles P-C4'-P energy: -36.800
tors. eta vs tors. theta energy: -70.013
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: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -771.397856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.397856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.397856 (E_RNA)
where:
Base-Base interactions energy: -537.597
where: short stacking energy: -243.729
Base-Backbone interact. energy: -0.191
local terms energy: -233.609866
where:
bonds (distance) C4'-P energy: -52.965
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -62.409
flat angles P-C4'-P energy: -33.214
tors. eta vs tors. theta energy: -56.501
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: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -595.654787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.654787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.654787 (E_RNA)
where:
Base-Base interactions energy: -364.564
where: short stacking energy: -161.062
Base-Backbone interact. energy: -0.109
local terms energy: -230.982010
where:
bonds (distance) C4'-P energy: -60.997
bonds (distance) P-C4' energy: -57.110
flat angles C4'-P-C4' energy: -55.399
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -21.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -507.711795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.711795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.711795 (E_RNA)
where:
Base-Base interactions energy: -278.775
where: short stacking energy: -126.370
Base-Backbone interact. energy: -1.841
local terms energy: -227.095615
where:
bonds (distance) C4'-P energy: -57.566
bonds (distance) P-C4' energy: -70.104
flat angles C4'-P-C4' energy: -58.163
flat angles P-C4'-P energy: -26.734
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -377.453121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.453121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.453121 (E_RNA)
where:
Base-Base interactions energy: -191.594
where: short stacking energy: -119.614
Base-Backbone interact. energy: -0.582
local terms energy: -185.277130
where:
bonds (distance) C4'-P energy: -47.627
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -40.321
tors. eta vs tors. theta energy: -2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -385.031156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.031156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.031156 (E_RNA)
where:
Base-Base interactions energy: -168.857
where: short stacking energy: -99.682
Base-Backbone interact. energy: 1.482
local terms energy: -217.656093
where:
bonds (distance) C4'-P energy: -58.983
bonds (distance) P-C4' energy: -70.102
flat angles C4'-P-C4' energy: -43.621
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1135.683896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.683896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.683896 (E_RNA)
where:
Base-Base interactions energy: -766.743
where: short stacking energy: -334.565
Base-Backbone interact. energy: -1.794
local terms energy: -367.146708
where:
bonds (distance) C4'-P energy: -65.033
bonds (distance) P-C4' energy: -71.019
flat angles C4'-P-C4' energy: -73.028
flat angles P-C4'-P energy: -50.110
tors. eta vs tors. theta energy: -107.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1080.720520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.720520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.720520 (E_RNA)
where:
Base-Base interactions energy: -717.356
where: short stacking energy: -325.582
Base-Backbone interact. energy: 0.158
local terms energy: -363.522513
where:
bonds (distance) C4'-P energy: -71.605
bonds (distance) P-C4' energy: -68.153
flat angles C4'-P-C4' energy: -76.255
flat angles P-C4'-P energy: -56.739
tors. eta vs tors. theta energy: -90.771
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: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -949.942943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.942943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.942943 (E_RNA)
where:
Base-Base interactions energy: -641.936
where: short stacking energy: -280.310
Base-Backbone interact. energy: 0.958
local terms energy: -308.964907
where:
bonds (distance) C4'-P energy: -54.991
bonds (distance) P-C4' energy: -70.437
flat angles C4'-P-C4' energy: -69.331
flat angles P-C4'-P energy: -41.486
tors. eta vs tors. theta energy: -72.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -885.126074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.126074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.126074 (E_RNA)
where:
Base-Base interactions energy: -550.602
where: short stacking energy: -257.441
Base-Backbone interact. energy: -0.713
local terms energy: -333.810702
where:
bonds (distance) C4'-P energy: -73.432
bonds (distance) P-C4' energy: -67.042
flat angles C4'-P-C4' energy: -73.422
flat angles P-C4'-P energy: -39.429
tors. eta vs tors. theta energy: -80.486
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: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -823.587654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.587654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.587654 (E_RNA)
where:
Base-Base interactions energy: -515.412
where: short stacking energy: -222.109
Base-Backbone interact. energy: 0.800
local terms energy: -308.975337
where:
bonds (distance) C4'-P energy: -67.862
bonds (distance) P-C4' energy: -74.092
flat angles C4'-P-C4' energy: -62.958
flat angles P-C4'-P energy: -45.927
tors. eta vs tors. theta energy: -58.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -748.380036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.380036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.380036 (E_RNA)
where:
Base-Base interactions energy: -474.519
where: short stacking energy: -205.427
Base-Backbone interact. energy: -3.744
local terms energy: -270.337978
where:
bonds (distance) C4'-P energy: -53.618
bonds (distance) P-C4' energy: -63.733
flat angles C4'-P-C4' energy: -70.161
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -48.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.221 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -629.124396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.124396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.124396 (E_RNA)
where:
Base-Base interactions energy: -389.419
where: short stacking energy: -181.268
Base-Backbone interact. energy: -0.043
local terms energy: -239.663164
where:
bonds (distance) C4'-P energy: -61.310
bonds (distance) P-C4' energy: -52.451
flat angles C4'-P-C4' energy: -54.412
flat angles P-C4'-P energy: -31.314
tors. eta vs tors. theta energy: -40.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -502.136274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.136274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.136274 (E_RNA)
where:
Base-Base interactions energy: -300.823
where: short stacking energy: -139.149
Base-Backbone interact. energy: 0.227
local terms energy: -201.540710
where:
bonds (distance) C4'-P energy: -53.363
bonds (distance) P-C4' energy: -48.476
flat angles C4'-P-C4' energy: -47.658
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -416.579117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.579117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.579117 (E_RNA)
where:
Base-Base interactions energy: -192.698
where: short stacking energy: -99.486
Base-Backbone interact. energy: 0.623
local terms energy: -224.504742
where:
bonds (distance) C4'-P energy: -58.770
bonds (distance) P-C4' energy: -68.879
flat angles C4'-P-C4' energy: -58.374
flat angles P-C4'-P energy: -33.308
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -380.882996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.882996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.882996 (E_RNA)
where:
Base-Base interactions energy: -178.750
where: short stacking energy: -97.531
Base-Backbone interact. energy: 1.432
local terms energy: -203.565641
where:
bonds (distance) C4'-P energy: -59.697
bonds (distance) P-C4' energy: -66.848
flat angles C4'-P-C4' energy: -43.094
flat angles P-C4'-P energy: -41.487
tors. eta vs tors. theta energy: 7.560
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: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1123.996345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.996345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.996345 (E_RNA)
where:
Base-Base interactions energy: -764.173
where: short stacking energy: -315.008
Base-Backbone interact. energy: -1.928
local terms energy: -357.895530
where:
bonds (distance) C4'-P energy: -64.381
bonds (distance) P-C4' energy: -63.954
flat angles C4'-P-C4' energy: -72.269
flat angles P-C4'-P energy: -48.415
tors. eta vs tors. theta energy: -108.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1067.076355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.076355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.076355 (E_RNA)
where:
Base-Base interactions energy: -729.975
where: short stacking energy: -305.236
Base-Backbone interact. energy: -0.629
local terms energy: -336.472097
where:
bonds (distance) C4'-P energy: -62.554
bonds (distance) P-C4' energy: -59.683
flat angles C4'-P-C4' energy: -71.999
flat angles P-C4'-P energy: -50.260
tors. eta vs tors. theta energy: -91.976
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: 3, replica: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -993.910204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.910204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.910204 (E_RNA)
where:
Base-Base interactions energy: -666.774
where: short stacking energy: -282.969
Base-Backbone interact. energy: -0.347
local terms energy: -326.789100
where:
bonds (distance) C4'-P energy: -66.848
bonds (distance) P-C4' energy: -65.965
flat angles C4'-P-C4' energy: -71.176
flat angles P-C4'-P energy: -42.255
tors. eta vs tors. theta energy: -80.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -874.411801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.411801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.411801 (E_RNA)
where:
Base-Base interactions energy: -562.843
where: short stacking energy: -254.496
Base-Backbone interact. energy: 1.989
local terms energy: -313.557526
where:
bonds (distance) C4'-P energy: -70.175
bonds (distance) P-C4' energy: -73.044
flat angles C4'-P-C4' energy: -59.241
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: -70.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -770.762430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.762430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.762430 (E_RNA)
where:
Base-Base interactions energy: -497.093
where: short stacking energy: -214.470
Base-Backbone interact. energy: -0.356
local terms energy: -273.312885
where:
bonds (distance) C4'-P energy: -65.933
bonds (distance) P-C4' energy: -54.743
flat angles C4'-P-C4' energy: -62.233
flat angles P-C4'-P energy: -36.383
tors. eta vs tors. theta energy: -54.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -726.552060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.552060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.552060 (E_RNA)
where:
Base-Base interactions energy: -467.022
where: short stacking energy: -211.017
Base-Backbone interact. energy: -0.727
local terms energy: -258.802978
where:
bonds (distance) C4'-P energy: -46.153
bonds (distance) P-C4' energy: -61.135
flat angles C4'-P-C4' energy: -58.393
flat angles P-C4'-P energy: -41.239
tors. eta vs tors. theta energy: -51.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -581.215355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.215355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.215355 (E_RNA)
where:
Base-Base interactions energy: -360.639
where: short stacking energy: -149.761
Base-Backbone interact. energy: 0.554
local terms energy: -221.130548
where:
bonds (distance) C4'-P energy: -42.456
bonds (distance) P-C4' energy: -62.789
flat angles C4'-P-C4' energy: -64.864
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -483.442533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.442533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.442533 (E_RNA)
where:
Base-Base interactions energy: -264.548
where: short stacking energy: -120.995
Base-Backbone interact. energy: -1.020
local terms energy: -217.874648
where:
bonds (distance) C4'-P energy: -57.241
bonds (distance) P-C4' energy: -61.829
flat angles C4'-P-C4' energy: -46.907
flat angles P-C4'-P energy: -31.033
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -397.193583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.193583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.193583 (E_RNA)
where:
Base-Base interactions energy: -183.717
where: short stacking energy: -123.787
Base-Backbone interact. energy: -0.082
local terms energy: -213.783462
where:
bonds (distance) C4'-P energy: -64.569
bonds (distance) P-C4' energy: -52.480
flat angles C4'-P-C4' energy: -57.909
flat angles P-C4'-P energy: -29.934
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: 0.389 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -392.754881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.754881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.754881 (E_RNA)
where:
Base-Base interactions energy: -186.818
where: short stacking energy: -98.143
Base-Backbone interact. energy: -1.531
local terms energy: -204.445477
where:
bonds (distance) C4'-P energy: -61.940
bonds (distance) P-C4' energy: -60.044
flat angles C4'-P-C4' energy: -62.584
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: 7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.040 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1127.220825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.220825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.220825 (E_RNA)
where:
Base-Base interactions energy: -758.265
where: short stacking energy: -328.000
Base-Backbone interact. energy: -2.922
local terms energy: -366.033745
where:
bonds (distance) C4'-P energy: -72.470
bonds (distance) P-C4' energy: -72.796
flat angles C4'-P-C4' energy: -75.628
flat angles P-C4'-P energy: -45.758
tors. eta vs tors. theta energy: -99.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1060.446364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.446364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.446364 (E_RNA)
where:
Base-Base interactions energy: -725.952
where: short stacking energy: -303.756
Base-Backbone interact. energy: -1.310
local terms energy: -333.184187
where:
bonds (distance) C4'-P energy: -47.807
bonds (distance) P-C4' energy: -71.068
flat angles C4'-P-C4' energy: -73.330
flat angles P-C4'-P energy: -56.485
tors. eta vs tors. theta energy: -84.495
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: 117
Temperature: 1.000000
Total energy: -976.657342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.657342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.657342 (E_RNA)
where:
Base-Base interactions energy: -671.666
where: short stacking energy: -258.645
Base-Backbone interact. energy: -1.806
local terms energy: -303.185196
where:
bonds (distance) C4'-P energy: -54.428
bonds (distance) P-C4' energy: -65.898
flat angles C4'-P-C4' energy: -69.163
flat angles P-C4'-P energy: -40.552
tors. eta vs tors. theta energy: -73.145
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: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -881.365601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.365601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.365601 (E_RNA)
where:
Base-Base interactions energy: -556.467
where: short stacking energy: -234.633
Base-Backbone interact. energy: -1.236
local terms energy: -323.663133
where:
bonds (distance) C4'-P energy: -64.477
bonds (distance) P-C4' energy: -67.917
flat angles C4'-P-C4' energy: -60.699
flat angles P-C4'-P energy: -53.794
tors. eta vs tors. theta energy: -76.777
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: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -853.959124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.959124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.959124 (E_RNA)
where:
Base-Base interactions energy: -545.257
where: short stacking energy: -259.929
Base-Backbone interact. energy: 0.112
local terms energy: -308.813672
where:
bonds (distance) C4'-P energy: -69.468
bonds (distance) P-C4' energy: -59.179
flat angles C4'-P-C4' energy: -63.498
flat angles P-C4'-P energy: -41.479
tors. eta vs tors. theta energy: -75.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -684.723602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.723602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.723602 (E_RNA)
where:
Base-Base interactions energy: -421.270
where: short stacking energy: -187.728
Base-Backbone interact. energy: -0.114
local terms energy: -263.339468
where:
bonds (distance) C4'-P energy: -61.269
bonds (distance) P-C4' energy: -61.045
flat angles C4'-P-C4' energy: -56.751
flat angles P-C4'-P energy: -37.011
tors. eta vs tors. theta energy: -47.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -548.905362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.905362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.905362 (E_RNA)
where:
Base-Base interactions energy: -306.310
where: short stacking energy: -157.452
Base-Backbone interact. energy: 0.384
local terms energy: -242.979917
where:
bonds (distance) C4'-P energy: -59.373
bonds (distance) P-C4' energy: -57.241
flat angles C4'-P-C4' energy: -61.853
flat angles P-C4'-P energy: -42.117
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -482.495551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.495551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.495551 (E_RNA)
where:
Base-Base interactions energy: -272.321
where: short stacking energy: -143.078
Base-Backbone interact. energy: -0.530
local terms energy: -209.644449
where:
bonds (distance) C4'-P energy: -57.667
bonds (distance) P-C4' energy: -46.018
flat angles C4'-P-C4' energy: -47.992
flat angles P-C4'-P energy: -33.574
tors. eta vs tors. theta energy: -24.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -405.943937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.943937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.943937 (E_RNA)
where:
Base-Base interactions energy: -202.507
where: short stacking energy: -115.946
Base-Backbone interact. energy: -0.674
local terms energy: -202.763042
where:
bonds (distance) C4'-P energy: -53.362
bonds (distance) P-C4' energy: -54.220
flat angles C4'-P-C4' energy: -61.869
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -9.935
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: 117
Temperature: 1.350000
Total energy: -387.929691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.929691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.929691 (E_RNA)
where:
Base-Base interactions energy: -204.255
where: short stacking energy: -85.847
Base-Backbone interact. energy: -1.430
local terms energy: -182.244605
where:
bonds (distance) C4'-P energy: -45.501
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -50.692
flat angles P-C4'-P energy: -28.278
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1134.433905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.433905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.433905 (E_RNA)
where:
Base-Base interactions energy: -780.659
where: short stacking energy: -312.927
Base-Backbone interact. energy: -1.049
local terms energy: -352.810329
where:
bonds (distance) C4'-P energy: -62.774
bonds (distance) P-C4' energy: -70.034
flat angles C4'-P-C4' energy: -66.514
flat angles P-C4'-P energy: -49.969
tors. eta vs tors. theta energy: -103.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.085 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1087.257065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.257065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.257065 (E_RNA)
where:
Base-Base interactions energy: -741.393
where: short stacking energy: -305.108
Base-Backbone interact. energy: 1.915
local terms energy: -347.778922
where:
bonds (distance) C4'-P energy: -70.187
bonds (distance) P-C4' energy: -60.170
flat angles C4'-P-C4' energy: -69.293
flat angles P-C4'-P energy: -55.767
tors. eta vs tors. theta energy: -92.362
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: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -988.873213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.873213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.873213 (E_RNA)
where:
Base-Base interactions energy: -678.789
where: short stacking energy: -284.935
Base-Backbone interact. energy: -1.176
local terms energy: -308.908539
where:
bonds (distance) C4'-P energy: -61.114
bonds (distance) P-C4' energy: -54.310
flat angles C4'-P-C4' energy: -66.927
flat angles P-C4'-P energy: -49.559
tors. eta vs tors. theta energy: -76.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -861.071791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.071791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.071791 (E_RNA)
where:
Base-Base interactions energy: -565.279
where: short stacking energy: -225.000
Base-Backbone interact. energy: -1.975
local terms energy: -293.817188
where:
bonds (distance) C4'-P energy: -63.642
bonds (distance) P-C4' energy: -58.727
flat angles C4'-P-C4' energy: -68.672
flat angles P-C4'-P energy: -45.989
tors. eta vs tors. theta energy: -56.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -849.469668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.469668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.469668 (E_RNA)
where:
Base-Base interactions energy: -552.164
where: short stacking energy: -246.433
Base-Backbone interact. energy: -0.604
local terms energy: -296.701541
where:
bonds (distance) C4'-P energy: -63.360
bonds (distance) P-C4' energy: -48.905
flat angles C4'-P-C4' energy: -68.421
flat angles P-C4'-P energy: -46.058
tors. eta vs tors. theta energy: -69.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -704.567205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.567205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.567205 (E_RNA)
where:
Base-Base interactions energy: -418.262
where: short stacking energy: -187.603
Base-Backbone interact. energy: 0.296
local terms energy: -286.601160
where:
bonds (distance) C4'-P energy: -65.404
bonds (distance) P-C4' energy: -67.335
flat angles C4'-P-C4' energy: -58.420
flat angles P-C4'-P energy: -47.496
tors. eta vs tors. theta energy: -47.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -600.635102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.635102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.635102 (E_RNA)
where:
Base-Base interactions energy: -343.017
where: short stacking energy: -189.074
Base-Backbone interact. energy: 0.843
local terms energy: -258.461459
where:
bonds (distance) C4'-P energy: -65.187
bonds (distance) P-C4' energy: -59.538
flat angles C4'-P-C4' energy: -50.977
flat angles P-C4'-P energy: -43.660
tors. eta vs tors. theta energy: -39.098
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: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -464.839713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.839713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.839713 (E_RNA)
where:
Base-Base interactions energy: -249.565
where: short stacking energy: -130.052
Base-Backbone interact. energy: -1.352
local terms energy: -213.922687
where:
bonds (distance) C4'-P energy: -43.093
bonds (distance) P-C4' energy: -65.698
flat angles C4'-P-C4' energy: -53.552
flat angles P-C4'-P energy: -33.646
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -382.714156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.714156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.714156 (E_RNA)
where:
Base-Base interactions energy: -197.748
where: short stacking energy: -101.387
Base-Backbone interact. energy: -1.572
local terms energy: -183.393712
where:
bonds (distance) C4'-P energy: -49.343
bonds (distance) P-C4' energy: -42.961
flat angles C4'-P-C4' energy: -59.194
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: 4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -348.194282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.194282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.194282 (E_RNA)
where:
Base-Base interactions energy: -144.596
where: short stacking energy: -73.854
Base-Backbone interact. energy: 1.551
local terms energy: -205.149343
where:
bonds (distance) C4'-P energy: -66.637
bonds (distance) P-C4' energy: -65.121
flat angles C4'-P-C4' energy: -31.723
flat angles P-C4'-P energy: -43.270
tors. eta vs tors. theta energy: 1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1138.225449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.225449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.225449 (E_RNA)
where:
Base-Base interactions energy: -757.491
where: short stacking energy: -314.487
Base-Backbone interact. energy: -0.980
local terms energy: -380.372022
where:
bonds (distance) C4'-P energy: -58.246
bonds (distance) P-C4' energy: -80.666
flat angles C4'-P-C4' energy: -77.797
flat angles P-C4'-P energy: -61.457
tors. eta vs tors. theta energy: -102.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.618 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1112.541911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.541911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.541911 (E_RNA)
where:
Base-Base interactions energy: -754.658
where: short stacking energy: -313.676
Base-Backbone interact. energy: -1.200
local terms energy: -356.684034
where:
bonds (distance) C4'-P energy: -70.053
bonds (distance) P-C4' energy: -62.470
flat angles C4'-P-C4' energy: -74.032
flat angles P-C4'-P energy: -55.412
tors. eta vs tors. theta energy: -94.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -954.224168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.224168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.224168 (E_RNA)
where:
Base-Base interactions energy: -644.113
where: short stacking energy: -262.197
Base-Backbone interact. energy: -1.279
local terms energy: -308.832302
where:
bonds (distance) C4'-P energy: -66.853
bonds (distance) P-C4' energy: -67.232
flat angles C4'-P-C4' energy: -57.717
flat angles P-C4'-P energy: -49.098
tors. eta vs tors. theta energy: -67.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -900.814961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.814961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.814961 (E_RNA)
where:
Base-Base interactions energy: -581.199
where: short stacking energy: -247.327
Base-Backbone interact. energy: -1.336
local terms energy: -318.279559
where:
bonds (distance) C4'-P energy: -55.145
bonds (distance) P-C4' energy: -62.397
flat angles C4'-P-C4' energy: -72.784
flat angles P-C4'-P energy: -50.709
tors. eta vs tors. theta energy: -77.244
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: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -827.386150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.386150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.386150 (E_RNA)
where:
Base-Base interactions energy: -545.797
where: short stacking energy: -234.726
Base-Backbone interact. energy: -0.362
local terms energy: -281.227071
where:
bonds (distance) C4'-P energy: -58.672
bonds (distance) P-C4' energy: -54.063
flat angles C4'-P-C4' energy: -62.956
flat angles P-C4'-P energy: -40.637
tors. eta vs tors. theta energy: -64.899
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: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -626.915456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.915456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.915456 (E_RNA)
where:
Base-Base interactions energy: -394.166
where: short stacking energy: -182.860
Base-Backbone interact. energy: 3.165
local terms energy: -235.914887
where:
bonds (distance) C4'-P energy: -54.035
bonds (distance) P-C4' energy: -59.619
flat angles C4'-P-C4' energy: -54.389
flat angles P-C4'-P energy: -29.716
tors. eta vs tors. theta energy: -38.155
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: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -632.246469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.246469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.246469 (E_RNA)
where:
Base-Base interactions energy: -373.507
where: short stacking energy: -169.893
Base-Backbone interact. energy: -2.441
local terms energy: -256.298356
where:
bonds (distance) C4'-P energy: -54.336
bonds (distance) P-C4' energy: -57.656
flat angles C4'-P-C4' energy: -64.254
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -38.546
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: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -469.461523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.461523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.461523 (E_RNA)
where:
Base-Base interactions energy: -269.795
where: short stacking energy: -132.339
Base-Backbone interact. energy: -0.010
local terms energy: -199.656275
where:
bonds (distance) C4'-P energy: -47.477
bonds (distance) P-C4' energy: -54.477
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -24.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -420.027589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.027589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.027589 (E_RNA)
where:
Base-Base interactions energy: -233.018
where: short stacking energy: -126.694
Base-Backbone interact. energy: -1.436
local terms energy: -185.573891
where:
bonds (distance) C4'-P energy: -45.573
bonds (distance) P-C4' energy: -56.373
flat angles C4'-P-C4' energy: -48.808
flat angles P-C4'-P energy: -25.183
tors. eta vs tors. theta energy: -9.638
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: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -336.183496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.183496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.183496 (E_RNA)
where:
Base-Base interactions energy: -142.117
where: short stacking energy: -84.800
Base-Backbone interact. energy: -1.150
local terms energy: -192.915817
where:
bonds (distance) C4'-P energy: -50.249
bonds (distance) P-C4' energy: -63.740
flat angles C4'-P-C4' energy: -47.001
flat angles P-C4'-P energy: -30.837
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1130.625347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.625347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.625347 (E_RNA)
where:
Base-Base interactions energy: -776.322
where: short stacking energy: -310.399
Base-Backbone interact. energy: 0.090
local terms energy: -354.971042
where:
bonds (distance) C4'-P energy: -60.480
bonds (distance) P-C4' energy: -71.053
flat angles C4'-P-C4' energy: -73.416
flat angles P-C4'-P energy: -48.962
tors. eta vs tors. theta energy: -101.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.577 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1109.360348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.360348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.360348 (E_RNA)
where:
Base-Base interactions energy: -755.052
where: short stacking energy: -308.580
Base-Backbone interact. energy: -0.773
local terms energy: -353.534719
where:
bonds (distance) C4'-P energy: -60.112
bonds (distance) P-C4' energy: -66.614
flat angles C4'-P-C4' energy: -75.387
flat angles P-C4'-P energy: -52.932
tors. eta vs tors. theta energy: -98.491
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: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -930.902696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.902696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.902696 (E_RNA)
where:
Base-Base interactions energy: -608.738
where: short stacking energy: -274.596
Base-Backbone interact. energy: -3.598
local terms energy: -318.566572
where:
bonds (distance) C4'-P energy: -63.146
bonds (distance) P-C4' energy: -64.464
flat angles C4'-P-C4' energy: -64.856
flat angles P-C4'-P energy: -40.294
tors. eta vs tors. theta energy: -85.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -918.803390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.803390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.803390 (E_RNA)
where:
Base-Base interactions energy: -634.058
where: short stacking energy: -256.461
Base-Backbone interact. energy: 0.045
local terms energy: -284.789867
where:
bonds (distance) C4'-P energy: -54.540
bonds (distance) P-C4' energy: -66.946
flat angles C4'-P-C4' energy: -57.400
flat angles P-C4'-P energy: -40.381
tors. eta vs tors. theta energy: -65.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -802.136835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.136835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.136835 (E_RNA)
where:
Base-Base interactions energy: -522.182
where: short stacking energy: -214.299
Base-Backbone interact. energy: -0.222
local terms energy: -279.733445
where:
bonds (distance) C4'-P energy: -53.233
bonds (distance) P-C4' energy: -57.068
flat angles C4'-P-C4' energy: -62.870
flat angles P-C4'-P energy: -44.139
tors. eta vs tors. theta energy: -62.424
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: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -661.427553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.427553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.427553 (E_RNA)
where:
Base-Base interactions energy: -397.350
where: short stacking energy: -202.614
Base-Backbone interact. energy: -2.108
local terms energy: -261.969611
where:
bonds (distance) C4'-P energy: -54.095
bonds (distance) P-C4' energy: -59.127
flat angles C4'-P-C4' energy: -65.975
flat angles P-C4'-P energy: -40.903
tors. eta vs tors. theta energy: -41.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -677.216835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.216835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.216835 (E_RNA)
where:
Base-Base interactions energy: -420.136
where: short stacking energy: -189.697
Base-Backbone interact. energy: -2.410
local terms energy: -254.671011
where:
bonds (distance) C4'-P energy: -61.610
bonds (distance) P-C4' energy: -70.406
flat angles C4'-P-C4' energy: -50.828
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -43.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -438.657270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.657270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.657270 (E_RNA)
where:
Base-Base interactions energy: -219.024
where: short stacking energy: -128.085
Base-Backbone interact. energy: -0.679
local terms energy: -218.954162
where:
bonds (distance) C4'-P energy: -57.444
bonds (distance) P-C4' energy: -57.834
flat angles C4'-P-C4' energy: -63.587
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -364.506809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.506809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.506809 (E_RNA)
where:
Base-Base interactions energy: -181.958
where: short stacking energy: -111.442
Base-Backbone interact. energy: 0.386
local terms energy: -182.933968
where:
bonds (distance) C4'-P energy: -55.299
bonds (distance) P-C4' energy: -59.966
flat angles C4'-P-C4' energy: -43.667
flat angles P-C4'-P energy: -26.324
tors. eta vs tors. theta energy: 2.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -318.407714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.407714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.407714 (E_RNA)
where:
Base-Base interactions energy: -138.054
where: short stacking energy: -85.381
Base-Backbone interact. energy: -0.663
local terms energy: -179.690315
where:
bonds (distance) C4'-P energy: -53.255
bonds (distance) P-C4' energy: -69.431
flat angles C4'-P-C4' energy: -48.759
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: 12.832
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: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1136.315216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.315216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.315216 (E_RNA)
where:
Base-Base interactions energy: -773.522
where: short stacking energy: -327.901
Base-Backbone interact. energy: -0.332
local terms energy: -362.460608
where:
bonds (distance) C4'-P energy: -68.255
bonds (distance) P-C4' energy: -62.278
flat angles C4'-P-C4' energy: -84.921
flat angles P-C4'-P energy: -51.324
tors. eta vs tors. theta energy: -95.682
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: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1105.721734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.721734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.721734 (E_RNA)
where:
Base-Base interactions energy: -765.637
where: short stacking energy: -325.238
Base-Backbone interact. energy: -0.568
local terms energy: -339.516198
where:
bonds (distance) C4'-P energy: -59.945
bonds (distance) P-C4' energy: -53.988
flat angles C4'-P-C4' energy: -76.369
flat angles P-C4'-P energy: -48.825
tors. eta vs tors. theta energy: -100.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -938.636701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.636701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.636701 (E_RNA)
where:
Base-Base interactions energy: -626.908
where: short stacking energy: -249.958
Base-Backbone interact. energy: -1.934
local terms energy: -309.794297
where:
bonds (distance) C4'-P energy: -69.482
bonds (distance) P-C4' energy: -60.670
flat angles C4'-P-C4' energy: -64.131
flat angles P-C4'-P energy: -46.650
tors. eta vs tors. theta energy: -68.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -945.530712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.530712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.530712 (E_RNA)
where:
Base-Base interactions energy: -653.962
where: short stacking energy: -264.849
Base-Backbone interact. energy: -1.915
local terms energy: -289.653787
where:
bonds (distance) C4'-P energy: -55.031
bonds (distance) P-C4' energy: -64.004
flat angles C4'-P-C4' energy: -52.825
flat angles P-C4'-P energy: -50.933
tors. eta vs tors. theta energy: -66.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -849.988987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.988987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.988987 (E_RNA)
where:
Base-Base interactions energy: -558.674
where: short stacking energy: -247.824
Base-Backbone interact. energy: 0.629
local terms energy: -291.944678
where:
bonds (distance) C4'-P energy: -54.766
bonds (distance) P-C4' energy: -62.872
flat angles C4'-P-C4' energy: -63.544
flat angles P-C4'-P energy: -42.957
tors. eta vs tors. theta energy: -67.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -708.622789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.622789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.622789 (E_RNA)
where:
Base-Base interactions energy: -451.875
where: short stacking energy: -219.292
Base-Backbone interact. energy: -1.791
local terms energy: -254.956265
where:
bonds (distance) C4'-P energy: -54.958
bonds (distance) P-C4' energy: -46.375
flat angles C4'-P-C4' energy: -54.667
flat angles P-C4'-P energy: -39.405
tors. eta vs tors. theta energy: -59.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -622.448393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.448393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.448393 (E_RNA)
where:
Base-Base interactions energy: -368.121
where: short stacking energy: -170.558
Base-Backbone interact. energy: -1.786
local terms energy: -252.541314
where:
bonds (distance) C4'-P energy: -61.416
bonds (distance) P-C4' energy: -46.432
flat angles C4'-P-C4' energy: -56.034
flat angles P-C4'-P energy: -41.618
tors. eta vs tors. theta energy: -47.042
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: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -417.138769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.138769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.138769 (E_RNA)
where:
Base-Base interactions energy: -211.856
where: short stacking energy: -124.425
Base-Backbone interact. energy: -2.074
local terms energy: -203.207977
where:
bonds (distance) C4'-P energy: -58.948
bonds (distance) P-C4' energy: -58.627
flat angles C4'-P-C4' energy: -40.069
flat angles P-C4'-P energy: -29.635
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -406.581141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.581141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.581141 (E_RNA)
where:
Base-Base interactions energy: -181.942
where: short stacking energy: -109.077
Base-Backbone interact. energy: -0.275
local terms energy: -224.364201
where:
bonds (distance) C4'-P energy: -52.180
bonds (distance) P-C4' energy: -62.084
flat angles C4'-P-C4' energy: -58.837
flat angles P-C4'-P energy: -26.726
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: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -305.533235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.533235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.533235 (E_RNA)
where:
Base-Base interactions energy: -118.565
where: short stacking energy: -84.502
Base-Backbone interact. energy: 5.046
local terms energy: -192.014071
where:
bonds (distance) C4'-P energy: -52.606
bonds (distance) P-C4' energy: -58.232
flat angles C4'-P-C4' energy: -44.011
flat angles P-C4'-P energy: -40.314
tors. eta vs tors. theta energy: 3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1127.022336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.022336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.022336 (E_RNA)
where:
Base-Base interactions energy: -789.783
where: short stacking energy: -310.115
Base-Backbone interact. energy: -0.599
local terms energy: -336.639960
where:
bonds (distance) C4'-P energy: -64.721
bonds (distance) P-C4' energy: -72.493
flat angles C4'-P-C4' energy: -66.759
flat angles P-C4'-P energy: -43.681
tors. eta vs tors. theta energy: -88.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1129.555074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.555074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.555074 (E_RNA)
where:
Base-Base interactions energy: -758.535
where: short stacking energy: -301.552
Base-Backbone interact. energy: -1.529
local terms energy: -369.491790
where:
bonds (distance) C4'-P energy: -70.429
bonds (distance) P-C4' energy: -68.631
flat angles C4'-P-C4' energy: -76.152
flat angles P-C4'-P energy: -49.045
tors. eta vs tors. theta energy: -105.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -959.935765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.935765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.935765 (E_RNA)
where:
Base-Base interactions energy: -651.970
where: short stacking energy: -262.572
Base-Backbone interact. energy: -0.904
local terms energy: -307.061644
where:
bonds (distance) C4'-P energy: -60.371
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -66.813
flat angles P-C4'-P energy: -48.593
tors. eta vs tors. theta energy: -76.264
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: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -914.798177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.798177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.798177 (E_RNA)
where:
Base-Base interactions energy: -622.621
where: short stacking energy: -270.240
Base-Backbone interact. energy: 4.429
local terms energy: -296.606152
where:
bonds (distance) C4'-P energy: -54.870
bonds (distance) P-C4' energy: -60.183
flat angles C4'-P-C4' energy: -59.485
flat angles P-C4'-P energy: -45.307
tors. eta vs tors. theta energy: -76.762
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: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -864.419024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.419024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.419024 (E_RNA)
where:
Base-Base interactions energy: -572.193
where: short stacking energy: -245.604
Base-Backbone interact. energy: 0.296
local terms energy: -292.521640
where:
bonds (distance) C4'-P energy: -56.100
bonds (distance) P-C4' energy: -61.852
flat angles C4'-P-C4' energy: -71.445
flat angles P-C4'-P energy: -37.200
tors. eta vs tors. theta energy: -65.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -700.178267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.178267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.178267 (E_RNA)
where:
Base-Base interactions energy: -449.961
where: short stacking energy: -207.068
Base-Backbone interact. energy: 0.138
local terms energy: -250.355487
where:
bonds (distance) C4'-P energy: -46.664
bonds (distance) P-C4' energy: -53.753
flat angles C4'-P-C4' energy: -61.743
flat angles P-C4'-P energy: -38.907
tors. eta vs tors. theta energy: -49.288
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: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -635.932525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.932525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.932525 (E_RNA)
where:
Base-Base interactions energy: -373.825
where: short stacking energy: -167.703
Base-Backbone interact. energy: 1.664
local terms energy: -263.771838
where:
bonds (distance) C4'-P energy: -61.029
bonds (distance) P-C4' energy: -69.568
flat angles C4'-P-C4' energy: -59.796
flat angles P-C4'-P energy: -38.035
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: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -381.622916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.622916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.622916 (E_RNA)
where:
Base-Base interactions energy: -185.129
where: short stacking energy: -98.277
Base-Backbone interact. energy: 1.158
local terms energy: -197.652449
where:
bonds (distance) C4'-P energy: -52.917
bonds (distance) P-C4' energy: -57.573
flat angles C4'-P-C4' energy: -45.409
flat angles P-C4'-P energy: -31.738
tors. eta vs tors. theta energy: -10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -347.344664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.344664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.344664 (E_RNA)
where:
Base-Base interactions energy: -146.894
where: short stacking energy: -91.426
Base-Backbone interact. energy: -2.841
local terms energy: -197.610560
where:
bonds (distance) C4'-P energy: -34.495
bonds (distance) P-C4' energy: -63.517
flat angles C4'-P-C4' energy: -51.671
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -368.878236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.878236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.878236 (E_RNA)
where:
Base-Base interactions energy: -167.497
where: short stacking energy: -97.388
Base-Backbone interact. energy: -1.206
local terms energy: -200.175223
where:
bonds (distance) C4'-P energy: -47.240
bonds (distance) P-C4' energy: -64.195
flat angles C4'-P-C4' energy: -54.866
flat angles P-C4'-P energy: -32.229
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: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1111.858475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.858475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.858475 (E_RNA)
where:
Base-Base interactions energy: -767.880
where: short stacking energy: -308.842
Base-Backbone interact. energy: -1.534
local terms energy: -343.678125
where:
bonds (distance) C4'-P energy: -62.102
bonds (distance) P-C4' energy: -73.467
flat angles C4'-P-C4' energy: -69.789
flat angles P-C4'-P energy: -50.311
tors. eta vs tors. theta energy: -88.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.234 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1134.543942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.543942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.543942 (E_RNA)
where:
Base-Base interactions energy: -763.290
where: short stacking energy: -312.267
Base-Backbone interact. energy: -1.840
local terms energy: -369.564982
where:
bonds (distance) C4'-P energy: -73.589
bonds (distance) P-C4' energy: -68.040
flat angles C4'-P-C4' energy: -73.284
flat angles P-C4'-P energy: -49.504
tors. eta vs tors. theta energy: -105.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.152 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -947.365305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.365305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.365305 (E_RNA)
where:
Base-Base interactions energy: -626.826
where: short stacking energy: -256.705
Base-Backbone interact. energy: -1.247
local terms energy: -319.292289
where:
bonds (distance) C4'-P energy: -64.430
bonds (distance) P-C4' energy: -73.449
flat angles C4'-P-C4' energy: -67.969
flat angles P-C4'-P energy: -39.746
tors. eta vs tors. theta energy: -73.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -897.058406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.058406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.058406 (E_RNA)
where:
Base-Base interactions energy: -596.533
where: short stacking energy: -256.398
Base-Backbone interact. energy: -0.815
local terms energy: -299.710565
where:
bonds (distance) C4'-P energy: -55.467
bonds (distance) P-C4' energy: -63.045
flat angles C4'-P-C4' energy: -66.435
flat angles P-C4'-P energy: -36.515
tors. eta vs tors. theta energy: -78.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -904.360428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.360428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.360428 (E_RNA)
where:
Base-Base interactions energy: -594.837
where: short stacking energy: -245.508
Base-Backbone interact. energy: -2.004
local terms energy: -307.519722
where:
bonds (distance) C4'-P energy: -54.265
bonds (distance) P-C4' energy: -63.238
flat angles C4'-P-C4' energy: -70.550
flat angles P-C4'-P energy: -49.146
tors. eta vs tors. theta energy: -70.320
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: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -676.829744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.829744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.829744 (E_RNA)
where:
Base-Base interactions energy: -435.286
where: short stacking energy: -186.595
Base-Backbone interact. energy: -1.191
local terms energy: -240.353343
where:
bonds (distance) C4'-P energy: -43.611
bonds (distance) P-C4' energy: -68.405
flat angles C4'-P-C4' energy: -68.497
flat angles P-C4'-P energy: -28.305
tors. eta vs tors. theta energy: -31.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -605.141572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.141572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.141572 (E_RNA)
where:
Base-Base interactions energy: -366.785
where: short stacking energy: -169.081
Base-Backbone interact. energy: -1.398
local terms energy: -236.958961
where:
bonds (distance) C4'-P energy: -52.072
bonds (distance) P-C4' energy: -54.308
flat angles C4'-P-C4' energy: -58.634
flat angles P-C4'-P energy: -39.173
tors. eta vs tors. theta energy: -32.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -432.115829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.115829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.115829 (E_RNA)
where:
Base-Base interactions energy: -223.494
where: short stacking energy: -117.839
Base-Backbone interact. energy: -1.260
local terms energy: -207.361919
where:
bonds (distance) C4'-P energy: -47.188
bonds (distance) P-C4' energy: -50.474
flat angles C4'-P-C4' energy: -54.004
flat angles P-C4'-P energy: -42.299
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -338.779935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.779935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.779935 (E_RNA)
where:
Base-Base interactions energy: -148.923
where: short stacking energy: -114.752
Base-Backbone interact. energy: -1.861
local terms energy: -188.455513
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -48.386
flat angles C4'-P-C4' energy: -49.856
flat angles P-C4'-P energy: -32.360
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.459 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -270.754668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.754668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.754668 (E_RNA)
where:
Base-Base interactions energy: -81.905
where: short stacking energy: -75.567
Base-Backbone interact. energy: -0.761
local terms energy: -188.420107
where:
bonds (distance) C4'-P energy: -52.598
bonds (distance) P-C4' energy: -54.274
flat angles C4'-P-C4' energy: -42.723
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: 3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.331 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1132.772419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.772419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.772419 (E_RNA)
where:
Base-Base interactions energy: -768.397
where: short stacking energy: -331.742
Base-Backbone interact. energy: -2.358
local terms energy: -362.017571
where:
bonds (distance) C4'-P energy: -65.080
bonds (distance) P-C4' energy: -68.614
flat angles C4'-P-C4' energy: -81.186
flat angles P-C4'-P energy: -45.329
tors. eta vs tors. theta energy: -101.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1121.918119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.918119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.918119 (E_RNA)
where:
Base-Base interactions energy: -777.076
where: short stacking energy: -302.733
Base-Backbone interact. energy: -0.813
local terms energy: -344.029036
where:
bonds (distance) C4'-P energy: -67.215
bonds (distance) P-C4' energy: -59.988
flat angles C4'-P-C4' energy: -73.115
flat angles P-C4'-P energy: -54.727
tors. eta vs tors. theta energy: -88.985
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: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -900.966627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.966627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.966627 (E_RNA)
where:
Base-Base interactions energy: -602.317
where: short stacking energy: -272.240
Base-Backbone interact. energy: 1.288
local terms energy: -299.938035
where:
bonds (distance) C4'-P energy: -64.167
bonds (distance) P-C4' energy: -53.465
flat angles C4'-P-C4' energy: -67.079
flat angles P-C4'-P energy: -36.700
tors. eta vs tors. theta energy: -78.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -935.237739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.237739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.237739 (E_RNA)
where:
Base-Base interactions energy: -611.590
where: short stacking energy: -264.268
Base-Backbone interact. energy: 0.087
local terms energy: -323.734319
where:
bonds (distance) C4'-P energy: -72.347
bonds (distance) P-C4' energy: -56.961
flat angles C4'-P-C4' energy: -67.083
flat angles P-C4'-P energy: -55.156
tors. eta vs tors. theta energy: -72.187
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: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -847.923915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.923915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.923915 (E_RNA)
where:
Base-Base interactions energy: -544.711
where: short stacking energy: -226.715
Base-Backbone interact. energy: -1.478
local terms energy: -301.734012
where:
bonds (distance) C4'-P energy: -63.490
bonds (distance) P-C4' energy: -64.970
flat angles C4'-P-C4' energy: -56.160
flat angles P-C4'-P energy: -52.876
tors. eta vs tors. theta energy: -64.238
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: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -664.570582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.570582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.570582 (E_RNA)
where:
Base-Base interactions energy: -422.772
where: short stacking energy: -185.461
Base-Backbone interact. energy: -2.601
local terms energy: -239.197478
where:
bonds (distance) C4'-P energy: -44.164
bonds (distance) P-C4' energy: -57.606
flat angles C4'-P-C4' energy: -55.330
flat angles P-C4'-P energy: -42.777
tors. eta vs tors. theta energy: -39.320
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: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -539.484696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.484696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.484696 (E_RNA)
where:
Base-Base interactions energy: -303.986
where: short stacking energy: -157.003
Base-Backbone interact. energy: -0.918
local terms energy: -234.580848
where:
bonds (distance) C4'-P energy: -52.462
bonds (distance) P-C4' energy: -52.458
flat angles C4'-P-C4' energy: -64.692
flat angles P-C4'-P energy: -32.613
tors. eta vs tors. theta energy: -32.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -388.849683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.849683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.849683 (E_RNA)
where:
Base-Base interactions energy: -180.591
where: short stacking energy: -86.662
Base-Backbone interact. energy: -3.578
local terms energy: -204.680408
where:
bonds (distance) C4'-P energy: -59.570
bonds (distance) P-C4' energy: -64.708
flat angles C4'-P-C4' energy: -45.086
flat angles P-C4'-P energy: -48.047
tors. eta vs tors. theta energy: 12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -307.854867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.854867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.854867 (E_RNA)
where:
Base-Base interactions energy: -115.640
where: short stacking energy: -84.190
Base-Backbone interact. energy: -1.205
local terms energy: -191.009794
where:
bonds (distance) C4'-P energy: -53.367
bonds (distance) P-C4' energy: -55.169
flat angles C4'-P-C4' energy: -48.948
flat angles P-C4'-P energy: -33.355
tors. eta vs tors. theta energy: -0.171
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: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -260.681338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.681338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.681338 (E_RNA)
where:
Base-Base interactions energy: -85.315
where: short stacking energy: -79.373
Base-Backbone interact. energy: 2.127
local terms energy: -177.493757
where:
bonds (distance) C4'-P energy: -63.099
bonds (distance) P-C4' energy: -50.833
flat angles C4'-P-C4' energy: -43.325
flat angles P-C4'-P energy: -26.210
tors. eta vs tors. theta energy: 5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1124.571968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.571968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.571968 (E_RNA)
where:
Base-Base interactions energy: -769.180
where: short stacking energy: -315.611
Base-Backbone interact. energy: -1.465
local terms energy: -353.927390
where:
bonds (distance) C4'-P energy: -69.172
bonds (distance) P-C4' energy: -63.006
flat angles C4'-P-C4' energy: -76.819
flat angles P-C4'-P energy: -44.032
tors. eta vs tors. theta energy: -100.899
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: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1104.686903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.686903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.686903 (E_RNA)
where:
Base-Base interactions energy: -756.604
where: short stacking energy: -306.350
Base-Backbone interact. energy: 1.403
local terms energy: -349.520807
where:
bonds (distance) C4'-P energy: -65.435
bonds (distance) P-C4' energy: -68.714
flat angles C4'-P-C4' energy: -70.129
flat angles P-C4'-P energy: -49.901
tors. eta vs tors. theta energy: -95.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.034 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -906.136356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.136356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.136356 (E_RNA)
where:
Base-Base interactions energy: -585.627
where: short stacking energy: -275.739
Base-Backbone interact. energy: 2.747
local terms energy: -323.256031
where:
bonds (distance) C4'-P energy: -56.238
bonds (distance) P-C4' energy: -58.316
flat angles C4'-P-C4' energy: -75.717
flat angles P-C4'-P energy: -44.165
tors. eta vs tors. theta energy: -88.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -965.791223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.791223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.791223 (E_RNA)
where:
Base-Base interactions energy: -639.739
where: short stacking energy: -264.194
Base-Backbone interact. energy: -0.702
local terms energy: -325.350658
where:
bonds (distance) C4'-P energy: -67.098
bonds (distance) P-C4' energy: -64.762
flat angles C4'-P-C4' energy: -76.685
flat angles P-C4'-P energy: -44.948
tors. eta vs tors. theta energy: -71.858
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: 125
Temperature: 1.100000
Total energy: -810.403804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.403804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.403804 (E_RNA)
where:
Base-Base interactions energy: -528.842
where: short stacking energy: -230.525
Base-Backbone interact. energy: 1.708
local terms energy: -283.269810
where:
bonds (distance) C4'-P energy: -51.303
bonds (distance) P-C4' energy: -61.110
flat angles C4'-P-C4' energy: -71.216
flat angles P-C4'-P energy: -38.811
tors. eta vs tors. theta energy: -60.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -701.407657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.407657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.407657 (E_RNA)
where:
Base-Base interactions energy: -461.172
where: short stacking energy: -203.338
Base-Backbone interact. energy: 0.580
local terms energy: -240.816014
where:
bonds (distance) C4'-P energy: -44.216
bonds (distance) P-C4' energy: -61.371
flat angles C4'-P-C4' energy: -52.707
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -47.275
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: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -569.181671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.181671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.181671 (E_RNA)
where:
Base-Base interactions energy: -316.228
where: short stacking energy: -150.613
Base-Backbone interact. energy: 3.599
local terms energy: -256.552457
where:
bonds (distance) C4'-P energy: -60.842
bonds (distance) P-C4' energy: -60.472
flat angles C4'-P-C4' energy: -71.135
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -399.183337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.183337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.183337 (E_RNA)
where:
Base-Base interactions energy: -179.188
where: short stacking energy: -118.114
Base-Backbone interact. energy: -0.091
local terms energy: -219.904786
where:
bonds (distance) C4'-P energy: -64.939
bonds (distance) P-C4' energy: -64.358
flat angles C4'-P-C4' energy: -43.325
flat angles P-C4'-P energy: -37.503
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -283.393106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.393106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.393106 (E_RNA)
where:
Base-Base interactions energy: -100.762
where: short stacking energy: -85.211
Base-Backbone interact. energy: 3.095
local terms energy: -187.576738
where:
bonds (distance) C4'-P energy: -60.184
bonds (distance) P-C4' energy: -47.435
flat angles C4'-P-C4' energy: -58.520
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: 4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.851 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -266.174074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.174074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.174074 (E_RNA)
where:
Base-Base interactions energy: -100.255
where: short stacking energy: -90.794
Base-Backbone interact. energy: -0.619
local terms energy: -165.299894
where:
bonds (distance) C4'-P energy: -43.430
bonds (distance) P-C4' energy: -57.016
flat angles C4'-P-C4' energy: -42.172
flat angles P-C4'-P energy: -32.129
tors. eta vs tors. theta energy: 9.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1139.715705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.715705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.715705 (E_RNA)
where:
Base-Base interactions energy: -781.977
where: short stacking energy: -303.498
Base-Backbone interact. energy: -1.415
local terms energy: -356.323362
where:
bonds (distance) C4'-P energy: -57.666
bonds (distance) P-C4' energy: -71.114
flat angles C4'-P-C4' energy: -72.968
flat angles P-C4'-P energy: -49.193
tors. eta vs tors. theta energy: -105.383
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: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1070.654438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.654438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.654438 (E_RNA)
where:
Base-Base interactions energy: -731.392
where: short stacking energy: -275.705
Base-Backbone interact. energy: -1.417
local terms energy: -338.635445
where:
bonds (distance) C4'-P energy: -65.285
bonds (distance) P-C4' energy: -64.624
flat angles C4'-P-C4' energy: -74.950
flat angles P-C4'-P energy: -44.763
tors. eta vs tors. theta energy: -89.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.790 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -933.889812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.889812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.889812 (E_RNA)
where:
Base-Base interactions energy: -604.126
where: short stacking energy: -249.950
Base-Backbone interact. energy: -2.405
local terms energy: -327.358895
where:
bonds (distance) C4'-P energy: -62.764
bonds (distance) P-C4' energy: -73.651
flat angles C4'-P-C4' energy: -72.022
flat angles P-C4'-P energy: -46.135
tors. eta vs tors. theta energy: -72.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -862.806606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.806606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.806606 (E_RNA)
where:
Base-Base interactions energy: -552.184
where: short stacking energy: -247.395
Base-Backbone interact. energy: -1.321
local terms energy: -309.301703
where:
bonds (distance) C4'-P energy: -57.342
bonds (distance) P-C4' energy: -68.111
flat angles C4'-P-C4' energy: -58.818
flat angles P-C4'-P energy: -52.845
tors. eta vs tors. theta energy: -72.185
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: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -778.712748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.712748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.712748 (E_RNA)
where:
Base-Base interactions energy: -483.612
where: short stacking energy: -215.030
Base-Backbone interact. energy: -1.760
local terms energy: -293.340897
where:
bonds (distance) C4'-P energy: -63.106
bonds (distance) P-C4' energy: -65.714
flat angles C4'-P-C4' energy: -73.286
flat angles P-C4'-P energy: -37.114
tors. eta vs tors. theta energy: -54.121
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: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -703.874990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.874990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.874990 (E_RNA)
where:
Base-Base interactions energy: -457.923
where: short stacking energy: -222.265
Base-Backbone interact. energy: 0.936
local terms energy: -246.888412
where:
bonds (distance) C4'-P energy: -48.947
bonds (distance) P-C4' energy: -47.700
flat angles C4'-P-C4' energy: -56.762
flat angles P-C4'-P energy: -48.379
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -527.013923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.013923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.013923 (E_RNA)
where:
Base-Base interactions energy: -282.955
where: short stacking energy: -136.301
Base-Backbone interact. energy: -0.648
local terms energy: -243.410620
where:
bonds (distance) C4'-P energy: -67.720
bonds (distance) P-C4' energy: -61.115
flat angles C4'-P-C4' energy: -56.728
flat angles P-C4'-P energy: -36.800
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -434.910786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.910786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.910786 (E_RNA)
where:
Base-Base interactions energy: -229.446
where: short stacking energy: -132.487
Base-Backbone interact. energy: -1.716
local terms energy: -203.748447
where:
bonds (distance) C4'-P energy: -45.301
bonds (distance) P-C4' energy: -67.377
flat angles C4'-P-C4' energy: -52.050
flat angles P-C4'-P energy: -22.535
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -305.500015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.500015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.500015 (E_RNA)
where:
Base-Base interactions energy: -109.788
where: short stacking energy: -95.695
Base-Backbone interact. energy: 2.927
local terms energy: -198.639111
where:
bonds (distance) C4'-P energy: -54.936
bonds (distance) P-C4' energy: -56.111
flat angles C4'-P-C4' energy: -53.464
flat angles P-C4'-P energy: -37.832
tors. eta vs tors. theta energy: 3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -260.675882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.675882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.675882 (E_RNA)
where:
Base-Base interactions energy: -77.238
where: short stacking energy: -65.800
Base-Backbone interact. energy: -0.784
local terms energy: -182.654253
where:
bonds (distance) C4'-P energy: -45.825
bonds (distance) P-C4' energy: -69.458
flat angles C4'-P-C4' energy: -46.520
flat angles P-C4'-P energy: -31.455
tors. eta vs tors. theta energy: 10.603
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: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1124.184114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.184114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.184114 (E_RNA)
where:
Base-Base interactions energy: -757.638
where: short stacking energy: -321.420
Base-Backbone interact. energy: -1.375
local terms energy: -365.170616
where:
bonds (distance) C4'-P energy: -73.874
bonds (distance) P-C4' energy: -67.300
flat angles C4'-P-C4' energy: -80.207
flat angles P-C4'-P energy: -41.255
tors. eta vs tors. theta energy: -102.535
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: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1075.849311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.849311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.849311 (E_RNA)
where:
Base-Base interactions energy: -750.885
where: short stacking energy: -306.103
Base-Backbone interact. energy: -2.501
local terms energy: -322.463004
where:
bonds (distance) C4'-P energy: -52.161
bonds (distance) P-C4' energy: -66.114
flat angles C4'-P-C4' energy: -62.416
flat angles P-C4'-P energy: -46.713
tors. eta vs tors. theta energy: -95.059
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: 127
Temperature: 1.000000
Total energy: -953.865883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.865883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.865883 (E_RNA)
where:
Base-Base interactions energy: -639.113
where: short stacking energy: -286.028
Base-Backbone interact. energy: -1.752
local terms energy: -313.001461
where:
bonds (distance) C4'-P energy: -53.282
bonds (distance) P-C4' energy: -63.841
flat angles C4'-P-C4' energy: -77.006
flat angles P-C4'-P energy: -40.223
tors. eta vs tors. theta energy: -78.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -871.916562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.916562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.916562 (E_RNA)
where:
Base-Base interactions energy: -578.060
where: short stacking energy: -225.477
Base-Backbone interact. energy: -1.406
local terms energy: -292.591518
where:
bonds (distance) C4'-P energy: -68.973
bonds (distance) P-C4' energy: -62.092
flat angles C4'-P-C4' energy: -58.729
flat angles P-C4'-P energy: -40.263
tors. eta vs tors. theta energy: -62.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.141 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -830.461131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.461131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.461131 (E_RNA)
where:
Base-Base interactions energy: -544.781
where: short stacking energy: -225.377
Base-Backbone interact. energy: -2.331
local terms energy: -283.349438
where:
bonds (distance) C4'-P energy: -54.355
bonds (distance) P-C4' energy: -68.210
flat angles C4'-P-C4' energy: -62.908
flat angles P-C4'-P energy: -40.989
tors. eta vs tors. theta energy: -56.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -697.432361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.432361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.432361 (E_RNA)
where:
Base-Base interactions energy: -424.336
where: short stacking energy: -193.084
Base-Backbone interact. energy: -1.256
local terms energy: -271.840772
where:
bonds (distance) C4'-P energy: -50.565
bonds (distance) P-C4' energy: -69.167
flat angles C4'-P-C4' energy: -66.740
flat angles P-C4'-P energy: -46.055
tors. eta vs tors. theta energy: -39.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -594.735118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.735118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.735118 (E_RNA)
where:
Base-Base interactions energy: -363.669
where: short stacking energy: -181.518
Base-Backbone interact. energy: -0.233
local terms energy: -230.832722
where:
bonds (distance) C4'-P energy: -51.420
bonds (distance) P-C4' energy: -54.616
flat angles C4'-P-C4' energy: -58.386
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -36.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -451.831869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.831869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.831869 (E_RNA)
where:
Base-Base interactions energy: -240.246
where: short stacking energy: -122.491
Base-Backbone interact. energy: 0.578
local terms energy: -212.164209
where:
bonds (distance) C4'-P energy: -60.552
bonds (distance) P-C4' energy: -61.558
flat angles C4'-P-C4' energy: -60.661
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -293.838286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.838286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.838286 (E_RNA)
where:
Base-Base interactions energy: -105.230
where: short stacking energy: -70.646
Base-Backbone interact. energy: 0.793
local terms energy: -189.401873
where:
bonds (distance) C4'-P energy: -62.170
bonds (distance) P-C4' energy: -56.691
flat angles C4'-P-C4' energy: -55.654
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: 15.615
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: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -295.284583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.284583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.284583 (E_RNA)
where:
Base-Base interactions energy: -106.038
where: short stacking energy: -83.120
Base-Backbone interact. energy: 1.142
local terms energy: -190.387912
where:
bonds (distance) C4'-P energy: -49.361
bonds (distance) P-C4' energy: -55.112
flat angles C4'-P-C4' energy: -57.764
flat angles P-C4'-P energy: -32.622
tors. eta vs tors. theta energy: 4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1140.292715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.292715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.292715 (E_RNA)
where:
Base-Base interactions energy: -783.625
where: short stacking energy: -330.445
Base-Backbone interact. energy: -1.769
local terms energy: -354.898672
where:
bonds (distance) C4'-P energy: -57.971
bonds (distance) P-C4' energy: -64.072
flat angles C4'-P-C4' energy: -81.612
flat angles P-C4'-P energy: -54.570
tors. eta vs tors. theta energy: -96.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1082.472272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.472272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.472272 (E_RNA)
where:
Base-Base interactions energy: -726.163
where: short stacking energy: -316.463
Base-Backbone interact. energy: -1.336
local terms energy: -354.973710
where:
bonds (distance) C4'-P energy: -60.740
bonds (distance) P-C4' energy: -67.219
flat angles C4'-P-C4' energy: -70.695
flat angles P-C4'-P energy: -56.623
tors. eta vs tors. theta energy: -99.697
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: 128
Temperature: 1.000000
Total energy: -940.280734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.280734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.280734 (E_RNA)
where:
Base-Base interactions energy: -626.547
where: short stacking energy: -275.482
Base-Backbone interact. energy: -1.578
local terms energy: -312.155386
where:
bonds (distance) C4'-P energy: -59.563
bonds (distance) P-C4' energy: -67.815
flat angles C4'-P-C4' energy: -64.676
flat angles P-C4'-P energy: -39.662
tors. eta vs tors. theta energy: -80.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -882.693684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.693684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.693684 (E_RNA)
where:
Base-Base interactions energy: -558.354
where: short stacking energy: -260.128
Base-Backbone interact. energy: -0.658
local terms energy: -323.681410
where:
bonds (distance) C4'-P energy: -68.698
bonds (distance) P-C4' energy: -72.292
flat angles C4'-P-C4' energy: -69.787
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: -82.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -818.540816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.540816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.540816 (E_RNA)
where:
Base-Base interactions energy: -541.341
where: short stacking energy: -236.893
Base-Backbone interact. energy: -2.491
local terms energy: -274.708636
where:
bonds (distance) C4'-P energy: -64.445
bonds (distance) P-C4' energy: -57.052
flat angles C4'-P-C4' energy: -58.143
flat angles P-C4'-P energy: -32.656
tors. eta vs tors. theta energy: -62.413
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: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -713.382544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.382544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.382544 (E_RNA)
where:
Base-Base interactions energy: -445.799
where: short stacking energy: -213.168
Base-Backbone interact. energy: -0.838
local terms energy: -266.746513
where:
bonds (distance) C4'-P energy: -58.888
bonds (distance) P-C4' energy: -66.076
flat angles C4'-P-C4' energy: -56.858
flat angles P-C4'-P energy: -41.087
tors. eta vs tors. theta energy: -43.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -573.362591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.362591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.362591 (E_RNA)
where:
Base-Base interactions energy: -343.726
where: short stacking energy: -166.100
Base-Backbone interact. energy: -0.324
local terms energy: -229.312585
where:
bonds (distance) C4'-P energy: -56.091
bonds (distance) P-C4' energy: -60.739
flat angles C4'-P-C4' energy: -52.855
flat angles P-C4'-P energy: -28.845
tors. eta vs tors. theta energy: -30.782
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: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -437.945376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.945376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.945376 (E_RNA)
where:
Base-Base interactions energy: -237.967
where: short stacking energy: -108.133
Base-Backbone interact. energy: 0.044
local terms energy: -200.022527
where:
bonds (distance) C4'-P energy: -54.910
bonds (distance) P-C4' energy: -55.885
flat angles C4'-P-C4' energy: -47.576
flat angles P-C4'-P energy: -28.884
tors. eta vs tors. theta energy: -12.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -338.421797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.421797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.421797 (E_RNA)
where:
Base-Base interactions energy: -144.168
where: short stacking energy: -90.382
Base-Backbone interact. energy: -0.224
local terms energy: -194.029481
where:
bonds (distance) C4'-P energy: -60.753
bonds (distance) P-C4' energy: -47.595
flat angles C4'-P-C4' energy: -39.104
flat angles P-C4'-P energy: -51.384
tors. eta vs tors. theta energy: 4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -257.967441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.967441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.967441 (E_RNA)
where:
Base-Base interactions energy: -100.757
where: short stacking energy: -62.803
Base-Backbone interact. energy: -1.434
local terms energy: -155.777323
where:
bonds (distance) C4'-P energy: -58.745
bonds (distance) P-C4' energy: -62.510
flat angles C4'-P-C4' energy: -50.478
flat angles P-C4'-P energy: -2.017
tors. eta vs tors. theta energy: 17.972
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: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1147.196692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.196692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.196692 (E_RNA)
where:
Base-Base interactions energy: -755.544
where: short stacking energy: -332.347
Base-Backbone interact. energy: -2.333
local terms energy: -389.587678
where:
bonds (distance) C4'-P energy: -69.216
bonds (distance) P-C4' energy: -75.428
flat angles C4'-P-C4' energy: -78.808
flat angles P-C4'-P energy: -57.551
tors. eta vs tors. theta energy: -108.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.268 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1088.477408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.477408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.477408 (E_RNA)
where:
Base-Base interactions energy: -738.667
where: short stacking energy: -317.819
Base-Backbone interact. energy: -1.266
local terms energy: -348.544355
where:
bonds (distance) C4'-P energy: -53.234
bonds (distance) P-C4' energy: -73.932
flat angles C4'-P-C4' energy: -70.190
flat angles P-C4'-P energy: -48.698
tors. eta vs tors. theta energy: -102.491
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: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -936.061527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.061527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.061527 (E_RNA)
where:
Base-Base interactions energy: -630.604
where: short stacking energy: -245.517
Base-Backbone interact. energy: -2.464
local terms energy: -302.993612
where:
bonds (distance) C4'-P energy: -63.012
bonds (distance) P-C4' energy: -58.234
flat angles C4'-P-C4' energy: -65.692
flat angles P-C4'-P energy: -51.522
tors. eta vs tors. theta energy: -64.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -856.107940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.107940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.107940 (E_RNA)
where:
Base-Base interactions energy: -551.004
where: short stacking energy: -231.946
Base-Backbone interact. energy: -3.920
local terms energy: -301.183923
where:
bonds (distance) C4'-P energy: -62.386
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -62.449
flat angles P-C4'-P energy: -47.130
tors. eta vs tors. theta energy: -69.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -803.875737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.875737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.875737 (E_RNA)
where:
Base-Base interactions energy: -521.932
where: short stacking energy: -216.402
Base-Backbone interact. energy: -1.293
local terms energy: -280.651400
where:
bonds (distance) C4'-P energy: -60.317
bonds (distance) P-C4' energy: -53.768
flat angles C4'-P-C4' energy: -69.086
flat angles P-C4'-P energy: -44.832
tors. eta vs tors. theta energy: -52.649
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: 1
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -735.050110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.050110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.050110 (E_RNA)
where:
Base-Base interactions energy: -453.766
where: short stacking energy: -202.498
Base-Backbone interact. energy: -0.815
local terms energy: -280.469029
where:
bonds (distance) C4'-P energy: -57.784
bonds (distance) P-C4' energy: -73.967
flat angles C4'-P-C4' energy: -64.245
flat angles P-C4'-P energy: -44.165
tors. eta vs tors. theta energy: -40.308
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: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -658.861562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.861562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.861562 (E_RNA)
where:
Base-Base interactions energy: -410.855
where: short stacking energy: -167.862
Base-Backbone interact. energy: -2.004
local terms energy: -246.002794
where:
bonds (distance) C4'-P energy: -55.693
bonds (distance) P-C4' energy: -60.974
flat angles C4'-P-C4' energy: -58.845
flat angles P-C4'-P energy: -34.918
tors. eta vs tors. theta energy: -35.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -425.077032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.077032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.077032 (E_RNA)
where:
Base-Base interactions energy: -232.663
where: short stacking energy: -126.523
Base-Backbone interact. energy: 5.395
local terms energy: -197.808743
where:
bonds (distance) C4'-P energy: -47.254
bonds (distance) P-C4' energy: -56.888
flat angles C4'-P-C4' energy: -50.085
flat angles P-C4'-P energy: -25.411
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -361.036886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.036886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.036886 (E_RNA)
where:
Base-Base interactions energy: -160.092
where: short stacking energy: -82.122
Base-Backbone interact. energy: 0.074
local terms energy: -201.018747
where:
bonds (distance) C4'-P energy: -72.004
bonds (distance) P-C4' energy: -63.669
flat angles C4'-P-C4' energy: -45.310
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: 5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -270.332383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.332383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.332383 (E_RNA)
where:
Base-Base interactions energy: -95.811
where: short stacking energy: -69.518
Base-Backbone interact. energy: 0.583
local terms energy: -175.103732
where:
bonds (distance) C4'-P energy: -46.625
bonds (distance) P-C4' energy: -54.724
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -33.734
tors. eta vs tors. theta energy: 14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1157.119625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.119625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.119625 (E_RNA)
where:
Base-Base interactions energy: -777.503
where: short stacking energy: -333.980
Base-Backbone interact. energy: -1.151
local terms energy: -378.464953
where:
bonds (distance) C4'-P energy: -65.492
bonds (distance) P-C4' energy: -70.259
flat angles C4'-P-C4' energy: -81.692
flat angles P-C4'-P energy: -52.900
tors. eta vs tors. theta energy: -108.121
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: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1123.903959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.903959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.903959 (E_RNA)
where:
Base-Base interactions energy: -758.511
where: short stacking energy: -331.172
Base-Backbone interact. energy: -2.023
local terms energy: -363.370352
where:
bonds (distance) C4'-P energy: -66.492
bonds (distance) P-C4' energy: -68.326
flat angles C4'-P-C4' energy: -71.589
flat angles P-C4'-P energy: -53.203
tors. eta vs tors. theta energy: -103.761
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: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -931.820904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.820904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.820904 (E_RNA)
where:
Base-Base interactions energy: -633.414
where: short stacking energy: -251.074
Base-Backbone interact. energy: 0.161
local terms energy: -298.568072
where:
bonds (distance) C4'-P energy: -53.920
bonds (distance) P-C4' energy: -62.932
flat angles C4'-P-C4' energy: -69.175
flat angles P-C4'-P energy: -45.290
tors. eta vs tors. theta energy: -67.251
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: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -908.257325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.257325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.257325 (E_RNA)
where:
Base-Base interactions energy: -591.612
where: short stacking energy: -265.010
Base-Backbone interact. energy: -0.256
local terms energy: -316.389174
where:
bonds (distance) C4'-P energy: -56.755
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -75.354
flat angles P-C4'-P energy: -48.928
tors. eta vs tors. theta energy: -75.008
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: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -837.292636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.292636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.292636 (E_RNA)
where:
Base-Base interactions energy: -554.559
where: short stacking energy: -237.987
Base-Backbone interact. energy: 0.573
local terms energy: -283.306411
where:
bonds (distance) C4'-P energy: -59.098
bonds (distance) P-C4' energy: -52.013
flat angles C4'-P-C4' energy: -65.933
flat angles P-C4'-P energy: -37.539
tors. eta vs tors. theta energy: -68.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -732.250928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.250928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.250928 (E_RNA)
where:
Base-Base interactions energy: -462.176
where: short stacking energy: -207.604
Base-Backbone interact. energy: 0.612
local terms energy: -270.686570
where:
bonds (distance) C4'-P energy: -64.406
bonds (distance) P-C4' energy: -59.122
flat angles C4'-P-C4' energy: -57.476
flat angles P-C4'-P energy: -42.752
tors. eta vs tors. theta energy: -46.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -607.862300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.862300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.862300 (E_RNA)
where:
Base-Base interactions energy: -365.350
where: short stacking energy: -170.190
Base-Backbone interact. energy: 2.849
local terms energy: -245.361346
where:
bonds (distance) C4'-P energy: -53.969
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -68.590
flat angles P-C4'-P energy: -39.748
tors. eta vs tors. theta energy: -28.301
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: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -482.969273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.969273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.969273 (E_RNA)
where:
Base-Base interactions energy: -264.726
where: short stacking energy: -130.256
Base-Backbone interact. energy: 1.283
local terms energy: -219.526796
where:
bonds (distance) C4'-P energy: -50.436
bonds (distance) P-C4' energy: -63.106
flat angles C4'-P-C4' energy: -57.971
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -12.715
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: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -387.958970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.958970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.958970 (E_RNA)
where:
Base-Base interactions energy: -188.782
where: short stacking energy: -129.156
Base-Backbone interact. energy: 0.001
local terms energy: -199.178402
where:
bonds (distance) C4'-P energy: -43.681
bonds (distance) P-C4' energy: -55.610
flat angles C4'-P-C4' energy: -60.816
flat angles P-C4'-P energy: -25.322
tors. eta vs tors. theta energy: -13.749
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: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -259.447686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.447686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.447686 (E_RNA)
where:
Base-Base interactions energy: -94.984
where: short stacking energy: -82.105
Base-Backbone interact. energy: 0.057
local terms energy: -164.520189
where:
bonds (distance) C4'-P energy: -53.331
bonds (distance) P-C4' energy: -56.751
flat angles C4'-P-C4' energy: -49.733
flat angles P-C4'-P energy: -19.246
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: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1142.331223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.331223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.331223 (E_RNA)
where:
Base-Base interactions energy: -788.348
where: short stacking energy: -335.737
Base-Backbone interact. energy: -0.566
local terms energy: -353.417845
where:
bonds (distance) C4'-P energy: -62.019
bonds (distance) P-C4' energy: -62.430
flat angles C4'-P-C4' energy: -78.833
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: -100.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1108.177381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.177381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.177381 (E_RNA)
where:
Base-Base interactions energy: -726.786
where: short stacking energy: -294.470
Base-Backbone interact. energy: -2.103
local terms energy: -379.288480
where:
bonds (distance) C4'-P energy: -66.922
bonds (distance) P-C4' energy: -79.514
flat angles C4'-P-C4' energy: -76.459
flat angles P-C4'-P energy: -61.633
tors. eta vs tors. theta energy: -94.761
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: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -936.200816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.200816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.200816 (E_RNA)
where:
Base-Base interactions energy: -622.627
where: short stacking energy: -255.263
Base-Backbone interact. energy: -1.429
local terms energy: -312.144491
where:
bonds (distance) C4'-P energy: -66.467
bonds (distance) P-C4' energy: -68.111
flat angles C4'-P-C4' energy: -61.229
flat angles P-C4'-P energy: -37.528
tors. eta vs tors. theta energy: -78.809
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: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -872.011842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.011842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.011842 (E_RNA)
where:
Base-Base interactions energy: -581.989
where: short stacking energy: -241.797
Base-Backbone interact. energy: 0.890
local terms energy: -290.912321
where:
bonds (distance) C4'-P energy: -53.498
bonds (distance) P-C4' energy: -57.585
flat angles C4'-P-C4' energy: -70.675
flat angles P-C4'-P energy: -37.351
tors. eta vs tors. theta energy: -71.803
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: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -831.151255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.151255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.151255 (E_RNA)
where:
Base-Base interactions energy: -530.745
where: short stacking energy: -238.102
Base-Backbone interact. energy: -0.381
local terms energy: -300.025356
where:
bonds (distance) C4'-P energy: -57.633
bonds (distance) P-C4' energy: -53.607
flat angles C4'-P-C4' energy: -73.518
flat angles P-C4'-P energy: -47.607
tors. eta vs tors. theta energy: -67.661
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: 6, replica: 1
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -729.156226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.156226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.156226 (E_RNA)
where:
Base-Base interactions energy: -455.644
where: short stacking energy: -206.251
Base-Backbone interact. energy: -2.703
local terms energy: -270.808793
where:
bonds (distance) C4'-P energy: -65.749
bonds (distance) P-C4' energy: -61.052
flat angles C4'-P-C4' energy: -62.735
flat angles P-C4'-P energy: -41.000
tors. eta vs tors. theta energy: -40.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -602.437952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.437952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.437952 (E_RNA)
where:
Base-Base interactions energy: -362.015
where: short stacking energy: -157.659
Base-Backbone interact. energy: -0.772
local terms energy: -239.650282
where:
bonds (distance) C4'-P energy: -55.904
bonds (distance) P-C4' energy: -65.339
flat angles C4'-P-C4' energy: -50.184
flat angles P-C4'-P energy: -28.485
tors. eta vs tors. theta energy: -39.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -487.939342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.939342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.939342 (E_RNA)
where:
Base-Base interactions energy: -265.155
where: short stacking energy: -140.480
Base-Backbone interact. energy: 0.718
local terms energy: -223.502648
where:
bonds (distance) C4'-P energy: -57.919
bonds (distance) P-C4' energy: -67.931
flat angles C4'-P-C4' energy: -51.631
flat angles P-C4'-P energy: -29.494
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: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -358.422214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.422214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.422214 (E_RNA)
where:
Base-Base interactions energy: -154.642
where: short stacking energy: -90.820
Base-Backbone interact. energy: 0.419
local terms energy: -204.198943
where:
bonds (distance) C4'-P energy: -54.474
bonds (distance) P-C4' energy: -56.101
flat angles C4'-P-C4' energy: -56.947
flat angles P-C4'-P energy: -31.082
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -302.167947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.167947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.167947 (E_RNA)
where:
Base-Base interactions energy: -121.545
where: short stacking energy: -74.626
Base-Backbone interact. energy: -0.976
local terms energy: -179.647268
where:
bonds (distance) C4'-P energy: -49.040
bonds (distance) P-C4' energy: -49.336
flat angles C4'-P-C4' energy: -55.637
flat angles P-C4'-P energy: -23.258
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1133.556455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.556455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.556455 (E_RNA)
where:
Base-Base interactions energy: -791.593
where: short stacking energy: -323.679
Base-Backbone interact. energy: -1.942
local terms energy: -340.020779
where:
bonds (distance) C4'-P energy: -58.476
bonds (distance) P-C4' energy: -58.565
flat angles C4'-P-C4' energy: -75.531
flat angles P-C4'-P energy: -50.471
tors. eta vs tors. theta energy: -96.978
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: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1102.486651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.486651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.486651 (E_RNA)
where:
Base-Base interactions energy: -738.306
where: short stacking energy: -296.255
Base-Backbone interact. energy: -0.017
local terms energy: -364.164111
where:
bonds (distance) C4'-P energy: -66.808
bonds (distance) P-C4' energy: -71.975
flat angles C4'-P-C4' energy: -72.986
flat angles P-C4'-P energy: -52.774
tors. eta vs tors. theta energy: -99.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -905.186526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.186526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.186526 (E_RNA)
where:
Base-Base interactions energy: -586.786
where: short stacking energy: -262.610
Base-Backbone interact. energy: -1.124
local terms energy: -317.277168
where:
bonds (distance) C4'-P energy: -65.618
bonds (distance) P-C4' energy: -65.435
flat angles C4'-P-C4' energy: -65.182
flat angles P-C4'-P energy: -45.482
tors. eta vs tors. theta energy: -75.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -904.548043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.548043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.548043 (E_RNA)
where:
Base-Base interactions energy: -608.502
where: short stacking energy: -240.116
Base-Backbone interact. energy: -1.373
local terms energy: -294.672887
where:
bonds (distance) C4'-P energy: -51.004
bonds (distance) P-C4' energy: -55.800
flat angles C4'-P-C4' energy: -69.127
flat angles P-C4'-P energy: -45.348
tors. eta vs tors. theta energy: -73.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -832.122806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.122806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.122806 (E_RNA)
where:
Base-Base interactions energy: -537.999
where: short stacking energy: -217.236
Base-Backbone interact. energy: 4.496
local terms energy: -298.619542
where:
bonds (distance) C4'-P energy: -56.761
bonds (distance) P-C4' energy: -73.602
flat angles C4'-P-C4' energy: -65.497
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -63.232
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: 6, replica: 1
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -720.853104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.853104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.853104 (E_RNA)
where:
Base-Base interactions energy: -455.005
where: short stacking energy: -177.965
Base-Backbone interact. energy: -3.792
local terms energy: -262.055736
where:
bonds (distance) C4'-P energy: -61.061
bonds (distance) P-C4' energy: -64.278
flat angles C4'-P-C4' energy: -66.777
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -35.479
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: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -624.840088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.840088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.840088 (E_RNA)
where:
Base-Base interactions energy: -382.295
where: short stacking energy: -187.955
Base-Backbone interact. energy: 1.218
local terms energy: -243.763160
where:
bonds (distance) C4'-P energy: -48.862
bonds (distance) P-C4' energy: -52.696
flat angles C4'-P-C4' energy: -58.854
flat angles P-C4'-P energy: -38.363
tors. eta vs tors. theta energy: -44.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -489.517721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.517721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.517721 (E_RNA)
where:
Base-Base interactions energy: -268.299
where: short stacking energy: -126.936
Base-Backbone interact. energy: -0.583
local terms energy: -220.635847
where:
bonds (distance) C4'-P energy: -53.805
bonds (distance) P-C4' energy: -69.009
flat angles C4'-P-C4' energy: -50.850
flat angles P-C4'-P energy: -32.489
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: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -363.441797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.441797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.441797 (E_RNA)
where:
Base-Base interactions energy: -165.712
where: short stacking energy: -93.700
Base-Backbone interact. energy: 1.200
local terms energy: -198.929253
where:
bonds (distance) C4'-P energy: -51.923
bonds (distance) P-C4' energy: -46.242
flat angles C4'-P-C4' energy: -55.391
flat angles P-C4'-P energy: -32.145
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -267.231613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.231613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.231613 (E_RNA)
where:
Base-Base interactions energy: -63.806
where: short stacking energy: -47.390
Base-Backbone interact. energy: -1.643
local terms energy: -201.782465
where:
bonds (distance) C4'-P energy: -62.420
bonds (distance) P-C4' energy: -67.718
flat angles C4'-P-C4' energy: -54.157
flat angles P-C4'-P energy: -30.477
tors. eta vs tors. theta energy: 12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1118.868267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.868267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.868267 (E_RNA)
where:
Base-Base interactions energy: -751.777
where: short stacking energy: -321.245
Base-Backbone interact. energy: -0.775
local terms energy: -366.315405
where:
bonds (distance) C4'-P energy: -71.732
bonds (distance) P-C4' energy: -76.963
flat angles C4'-P-C4' energy: -78.381
flat angles P-C4'-P energy: -39.460
tors. eta vs tors. theta energy: -99.779
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: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1100.698327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.698327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.698327 (E_RNA)
where:
Base-Base interactions energy: -746.394
where: short stacking energy: -326.742
Base-Backbone interact. energy: -0.979
local terms energy: -353.907286
where:
bonds (distance) C4'-P energy: -60.729
bonds (distance) P-C4' energy: -63.447
flat angles C4'-P-C4' energy: -68.176
flat angles P-C4'-P energy: -53.260
tors. eta vs tors. theta energy: -108.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.582 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -929.168915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.168915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.168915 (E_RNA)
where:
Base-Base interactions energy: -614.951
where: short stacking energy: -283.487
Base-Backbone interact. energy: -1.345
local terms energy: -312.872934
where:
bonds (distance) C4'-P energy: -60.691
bonds (distance) P-C4' energy: -67.573
flat angles C4'-P-C4' energy: -67.436
flat angles P-C4'-P energy: -38.831
tors. eta vs tors. theta energy: -78.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -888.661571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.661571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.661571 (E_RNA)
where:
Base-Base interactions energy: -597.503
where: short stacking energy: -267.017
Base-Backbone interact. energy: 1.314
local terms energy: -292.472095
where:
bonds (distance) C4'-P energy: -59.592
bonds (distance) P-C4' energy: -63.783
flat angles C4'-P-C4' energy: -55.011
flat angles P-C4'-P energy: -45.278
tors. eta vs tors. theta energy: -68.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -881.343782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.343782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.343782 (E_RNA)
where:
Base-Base interactions energy: -572.633
where: short stacking energy: -223.726
Base-Backbone interact. energy: -1.682
local terms energy: -307.029439
where:
bonds (distance) C4'-P energy: -67.561
bonds (distance) P-C4' energy: -72.142
flat angles C4'-P-C4' energy: -64.746
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: -65.383
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: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -696.525090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.525090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.525090 (E_RNA)
where:
Base-Base interactions energy: -439.593
where: short stacking energy: -193.301
Base-Backbone interact. energy: -0.675
local terms energy: -256.256966
where:
bonds (distance) C4'-P energy: -68.347
bonds (distance) P-C4' energy: -71.515
flat angles C4'-P-C4' energy: -44.061
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: -35.965
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: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -656.842633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.842633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.842633 (E_RNA)
where:
Base-Base interactions energy: -411.189
where: short stacking energy: -178.928
Base-Backbone interact. energy: -0.720
local terms energy: -244.933936
where:
bonds (distance) C4'-P energy: -48.052
bonds (distance) P-C4' energy: -54.453
flat angles C4'-P-C4' energy: -60.662
flat angles P-C4'-P energy: -35.479
tors. eta vs tors. theta energy: -46.288
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: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -471.841446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.841446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.841446 (E_RNA)
where:
Base-Base interactions energy: -269.436
where: short stacking energy: -125.328
Base-Backbone interact. energy: 0.528
local terms energy: -202.933176
where:
bonds (distance) C4'-P energy: -50.503
bonds (distance) P-C4' energy: -57.867
flat angles C4'-P-C4' energy: -56.134
flat angles P-C4'-P energy: -37.110
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: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -387.967951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.967951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.967951 (E_RNA)
where:
Base-Base interactions energy: -181.758
where: short stacking energy: -98.505
Base-Backbone interact. energy: -2.432
local terms energy: -203.777727
where:
bonds (distance) C4'-P energy: -57.599
bonds (distance) P-C4' energy: -60.671
flat angles C4'-P-C4' energy: -43.280
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -262.780439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.780439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.780439 (E_RNA)
where:
Base-Base interactions energy: -107.151
where: short stacking energy: -72.520
Base-Backbone interact. energy: 5.462
local terms energy: -161.090848
where:
bonds (distance) C4'-P energy: -45.615
bonds (distance) P-C4' energy: -56.919
flat angles C4'-P-C4' energy: -51.506
flat angles P-C4'-P energy: -30.631
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: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1144.738965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.738965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.738965 (E_RNA)
where:
Base-Base interactions energy: -768.585
where: short stacking energy: -320.243
Base-Backbone interact. energy: -1.802
local terms energy: -374.351688
where:
bonds (distance) C4'-P energy: -71.241
bonds (distance) P-C4' energy: -78.772
flat angles C4'-P-C4' energy: -74.310
flat angles P-C4'-P energy: -47.964
tors. eta vs tors. theta energy: -102.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1110.596845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.596845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.596845 (E_RNA)
where:
Base-Base interactions energy: -757.557
where: short stacking energy: -322.921
Base-Backbone interact. energy: -0.863
local terms energy: -353.137913
where:
bonds (distance) C4'-P energy: -65.417
bonds (distance) P-C4' energy: -57.629
flat angles C4'-P-C4' energy: -69.076
flat angles P-C4'-P energy: -57.811
tors. eta vs tors. theta energy: -103.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.961 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -941.381304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.381304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.381304 (E_RNA)
where:
Base-Base interactions energy: -604.934
where: short stacking energy: -269.898
Base-Backbone interact. energy: -0.767
local terms energy: -335.679818
where:
bonds (distance) C4'-P energy: -73.725
bonds (distance) P-C4' energy: -65.338
flat angles C4'-P-C4' energy: -77.057
flat angles P-C4'-P energy: -41.424
tors. eta vs tors. theta energy: -78.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -889.167572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.167572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.167572 (E_RNA)
where:
Base-Base interactions energy: -595.986
where: short stacking energy: -247.276
Base-Backbone interact. energy: -0.102
local terms energy: -293.078705
where:
bonds (distance) C4'-P energy: -48.491
bonds (distance) P-C4' energy: -63.598
flat angles C4'-P-C4' energy: -66.067
flat angles P-C4'-P energy: -45.713
tors. eta vs tors. theta energy: -69.210
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: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -850.424876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.424876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.424876 (E_RNA)
where:
Base-Base interactions energy: -538.603
where: short stacking energy: -231.106
Base-Backbone interact. energy: -0.216
local terms energy: -311.605686
where:
bonds (distance) C4'-P energy: -67.324
bonds (distance) P-C4' energy: -67.687
flat angles C4'-P-C4' energy: -69.293
flat angles P-C4'-P energy: -43.880
tors. eta vs tors. theta energy: -63.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -706.339022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.339022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.339022 (E_RNA)
where:
Base-Base interactions energy: -457.016
where: short stacking energy: -197.022
Base-Backbone interact. energy: -2.130
local terms energy: -247.193422
where:
bonds (distance) C4'-P energy: -60.624
bonds (distance) P-C4' energy: -47.604
flat angles C4'-P-C4' energy: -61.618
flat angles P-C4'-P energy: -42.143
tors. eta vs tors. theta energy: -35.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -637.690320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.690320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.690320 (E_RNA)
where:
Base-Base interactions energy: -383.361
where: short stacking energy: -176.417
Base-Backbone interact. energy: -0.917
local terms energy: -253.412686
where:
bonds (distance) C4'-P energy: -54.979
bonds (distance) P-C4' energy: -66.284
flat angles C4'-P-C4' energy: -51.855
flat angles P-C4'-P energy: -32.804
tors. eta vs tors. theta energy: -47.490
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: 134
Temperature: 1.250000
Total energy: -489.554656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.554656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.554656 (E_RNA)
where:
Base-Base interactions energy: -246.738
where: short stacking energy: -118.440
Base-Backbone interact. energy: -0.412
local terms energy: -242.404710
where:
bonds (distance) C4'-P energy: -63.389
bonds (distance) P-C4' energy: -70.175
flat angles C4'-P-C4' energy: -65.472
flat angles P-C4'-P energy: -35.578
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -373.109497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.109497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.109497 (E_RNA)
where:
Base-Base interactions energy: -187.490
where: short stacking energy: -119.029
Base-Backbone interact. energy: 4.374
local terms energy: -189.993574
where:
bonds (distance) C4'-P energy: -54.827
bonds (distance) P-C4' energy: -51.652
flat angles C4'-P-C4' energy: -52.336
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -7.657
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: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -283.719747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.719747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.719747 (E_RNA)
where:
Base-Base interactions energy: -115.121
where: short stacking energy: -93.000
Base-Backbone interact. energy: -1.884
local terms energy: -166.714909
where:
bonds (distance) C4'-P energy: -50.703
bonds (distance) P-C4' energy: -43.790
flat angles C4'-P-C4' energy: -39.444
flat angles P-C4'-P energy: -36.139
tors. eta vs tors. theta energy: 3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1151.389567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.389567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.389567 (E_RNA)
where:
Base-Base interactions energy: -786.546
where: short stacking energy: -319.437
Base-Backbone interact. energy: -1.464
local terms energy: -363.379557
where:
bonds (distance) C4'-P energy: -77.633
bonds (distance) P-C4' energy: -69.264
flat angles C4'-P-C4' energy: -67.126
flat angles P-C4'-P energy: -48.257
tors. eta vs tors. theta energy: -101.099
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: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1116.594373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.594373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.594373 (E_RNA)
where:
Base-Base interactions energy: -778.081
where: short stacking energy: -304.242
Base-Backbone interact. energy: -0.989
local terms energy: -337.524439
where:
bonds (distance) C4'-P energy: -71.258
bonds (distance) P-C4' energy: -59.892
flat angles C4'-P-C4' energy: -68.092
flat angles P-C4'-P energy: -41.589
tors. eta vs tors. theta energy: -96.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -920.981275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.981275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.981275 (E_RNA)
where:
Base-Base interactions energy: -611.889
where: short stacking energy: -271.567
Base-Backbone interact. energy: -1.239
local terms energy: -307.853147
where:
bonds (distance) C4'-P energy: -56.277
bonds (distance) P-C4' energy: -62.181
flat angles C4'-P-C4' energy: -69.565
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -78.443
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: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -912.482795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.482795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.482795 (E_RNA)
where:
Base-Base interactions energy: -607.160
where: short stacking energy: -267.257
Base-Backbone interact. energy: -0.293
local terms energy: -305.029145
where:
bonds (distance) C4'-P energy: -65.523
bonds (distance) P-C4' energy: -59.361
flat angles C4'-P-C4' energy: -51.811
flat angles P-C4'-P energy: -45.870
tors. eta vs tors. theta energy: -82.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -796.320922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.320922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.320922 (E_RNA)
where:
Base-Base interactions energy: -532.488
where: short stacking energy: -224.399
Base-Backbone interact. energy: 0.308
local terms energy: -264.140877
where:
bonds (distance) C4'-P energy: -61.971
bonds (distance) P-C4' energy: -62.161
flat angles C4'-P-C4' energy: -44.064
flat angles P-C4'-P energy: -34.693
tors. eta vs tors. theta energy: -61.250
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: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -707.946547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.946547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.946547 (E_RNA)
where:
Base-Base interactions energy: -436.264
where: short stacking energy: -205.608
Base-Backbone interact. energy: -2.370
local terms energy: -269.312032
where:
bonds (distance) C4'-P energy: -64.400
bonds (distance) P-C4' energy: -52.988
flat angles C4'-P-C4' energy: -64.041
flat angles P-C4'-P energy: -40.292
tors. eta vs tors. theta energy: -47.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -606.661631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.661631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.661631 (E_RNA)
where:
Base-Base interactions energy: -392.814
where: short stacking energy: -193.124
Base-Backbone interact. energy: 0.299
local terms energy: -214.146772
where:
bonds (distance) C4'-P energy: -38.569
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -48.245
flat angles P-C4'-P energy: -43.279
tors. eta vs tors. theta energy: -39.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -513.684199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.684199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.684199 (E_RNA)
where:
Base-Base interactions energy: -287.062
where: short stacking energy: -140.492
Base-Backbone interact. energy: -0.222
local terms energy: -226.400488
where:
bonds (distance) C4'-P energy: -56.126
bonds (distance) P-C4' energy: -65.987
flat angles C4'-P-C4' energy: -50.170
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -365.488664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.488664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.488664 (E_RNA)
where:
Base-Base interactions energy: -171.627
where: short stacking energy: -105.163
Base-Backbone interact. energy: -0.183
local terms energy: -193.678622
where:
bonds (distance) C4'-P energy: -61.391
bonds (distance) P-C4' energy: -51.577
flat angles C4'-P-C4' energy: -48.365
flat angles P-C4'-P energy: -32.576
tors. eta vs tors. theta energy: 0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -278.865269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.865269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.865269 (E_RNA)
where:
Base-Base interactions energy: -89.935
where: short stacking energy: -82.647
Base-Backbone interact. energy: -0.165
local terms energy: -188.765524
where:
bonds (distance) C4'-P energy: -65.023
bonds (distance) P-C4' energy: -59.872
flat angles C4'-P-C4' energy: -49.121
flat angles P-C4'-P energy: -31.546
tors. eta vs tors. theta energy: 16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1136.729406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.729406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.729406 (E_RNA)
where:
Base-Base interactions energy: -762.856
where: short stacking energy: -308.682
Base-Backbone interact. energy: -1.317
local terms energy: -372.556674
where:
bonds (distance) C4'-P energy: -66.750
bonds (distance) P-C4' energy: -73.803
flat angles C4'-P-C4' energy: -81.114
flat angles P-C4'-P energy: -47.839
tors. eta vs tors. theta energy: -103.051
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: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1095.012019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.012019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.012019 (E_RNA)
where:
Base-Base interactions energy: -737.735
where: short stacking energy: -298.665
Base-Backbone interact. energy: -0.461
local terms energy: -357.336238
where:
bonds (distance) C4'-P energy: -63.746
bonds (distance) P-C4' energy: -66.603
flat angles C4'-P-C4' energy: -70.982
flat angles P-C4'-P energy: -57.390
tors. eta vs tors. theta energy: -98.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.520 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -922.112849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.112849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.112849 (E_RNA)
where:
Base-Base interactions energy: -616.390
where: short stacking energy: -285.557
Base-Backbone interact. energy: 0.706
local terms energy: -306.428622
where:
bonds (distance) C4'-P energy: -52.599
bonds (distance) P-C4' energy: -61.897
flat angles C4'-P-C4' energy: -61.386
flat angles P-C4'-P energy: -42.632
tors. eta vs tors. theta energy: -87.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -908.128916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.128916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.128916 (E_RNA)
where:
Base-Base interactions energy: -583.093
where: short stacking energy: -262.123
Base-Backbone interact. energy: -2.642
local terms energy: -322.393634
where:
bonds (distance) C4'-P energy: -64.499
bonds (distance) P-C4' energy: -61.243
flat angles C4'-P-C4' energy: -75.540
flat angles P-C4'-P energy: -50.647
tors. eta vs tors. theta energy: -70.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -830.623923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.623923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.623923 (E_RNA)
where:
Base-Base interactions energy: -556.698
where: short stacking energy: -223.975
Base-Backbone interact. energy: -0.120
local terms energy: -273.805424
where:
bonds (distance) C4'-P energy: -50.685
bonds (distance) P-C4' energy: -52.552
flat angles C4'-P-C4' energy: -66.577
flat angles P-C4'-P energy: -45.195
tors. eta vs tors. theta energy: -58.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -622.708318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.708318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.708318 (E_RNA)
where:
Base-Base interactions energy: -360.760
where: short stacking energy: -183.800
Base-Backbone interact. energy: -0.549
local terms energy: -261.398721
where:
bonds (distance) C4'-P energy: -53.749
bonds (distance) P-C4' energy: -58.424
flat angles C4'-P-C4' energy: -65.529
flat angles P-C4'-P energy: -44.774
tors. eta vs tors. theta energy: -38.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -653.274273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.274273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.274273 (E_RNA)
where:
Base-Base interactions energy: -384.914
where: short stacking energy: -181.958
Base-Backbone interact. energy: -0.210
local terms energy: -268.150300
where:
bonds (distance) C4'-P energy: -61.298
bonds (distance) P-C4' energy: -63.029
flat angles C4'-P-C4' energy: -52.521
flat angles P-C4'-P energy: -49.117
tors. eta vs tors. theta energy: -42.185
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: 3
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -509.973138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.973138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.973138 (E_RNA)
where:
Base-Base interactions energy: -317.569
where: short stacking energy: -135.096
Base-Backbone interact. energy: 0.038
local terms energy: -192.442557
where:
bonds (distance) C4'-P energy: -61.023
bonds (distance) P-C4' energy: -64.696
flat angles C4'-P-C4' energy: -42.084
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -388.544666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.544666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.544666 (E_RNA)
where:
Base-Base interactions energy: -197.386
where: short stacking energy: -90.008
Base-Backbone interact. energy: -1.033
local terms energy: -190.126060
where:
bonds (distance) C4'-P energy: -44.189
bonds (distance) P-C4' energy: -54.449
flat angles C4'-P-C4' energy: -52.940
flat angles P-C4'-P energy: -35.170
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: 7
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -333.185220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.185220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.185220 (E_RNA)
where:
Base-Base interactions energy: -147.006
where: short stacking energy: -83.561
Base-Backbone interact. energy: -2.209
local terms energy: -183.970325
where:
bonds (distance) C4'-P energy: -47.531
bonds (distance) P-C4' energy: -60.243
flat angles C4'-P-C4' energy: -52.804
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1137.666154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.666154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.666154 (E_RNA)
where:
Base-Base interactions energy: -750.570
where: short stacking energy: -311.088
Base-Backbone interact. energy: -1.667
local terms energy: -385.429103
where:
bonds (distance) C4'-P energy: -72.362
bonds (distance) P-C4' energy: -75.021
flat angles C4'-P-C4' energy: -71.777
flat angles P-C4'-P energy: -59.161
tors. eta vs tors. theta energy: -107.107
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: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1103.521057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.521057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.521057 (E_RNA)
where:
Base-Base interactions energy: -728.172
where: short stacking energy: -297.765
Base-Backbone interact. energy: -0.924
local terms energy: -374.424505
where:
bonds (distance) C4'-P energy: -64.417
bonds (distance) P-C4' energy: -73.589
flat angles C4'-P-C4' energy: -80.229
flat angles P-C4'-P energy: -57.102
tors. eta vs tors. theta energy: -99.087
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: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -931.004224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.004224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.004224 (E_RNA)
where:
Base-Base interactions energy: -625.134
where: short stacking energy: -276.201
Base-Backbone interact. energy: 2.911
local terms energy: -308.781025
where:
bonds (distance) C4'-P energy: -63.598
bonds (distance) P-C4' energy: -57.818
flat angles C4'-P-C4' energy: -66.448
flat angles P-C4'-P energy: -40.935
tors. eta vs tors. theta energy: -79.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -889.145885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.145885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.145885 (E_RNA)
where:
Base-Base interactions energy: -570.449
where: short stacking energy: -234.508
Base-Backbone interact. energy: -2.508
local terms energy: -316.189204
where:
bonds (distance) C4'-P energy: -70.731
bonds (distance) P-C4' energy: -61.620
flat angles C4'-P-C4' energy: -67.330
flat angles P-C4'-P energy: -40.072
tors. eta vs tors. theta energy: -76.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -823.744582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.744582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.744582 (E_RNA)
where:
Base-Base interactions energy: -538.054
where: short stacking energy: -244.248
Base-Backbone interact. energy: -2.595
local terms energy: -283.095144
where:
bonds (distance) C4'-P energy: -65.447
bonds (distance) P-C4' energy: -59.913
flat angles C4'-P-C4' energy: -66.153
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -63.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -657.750217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.750217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.750217 (E_RNA)
where:
Base-Base interactions energy: -390.338
where: short stacking energy: -201.245
Base-Backbone interact. energy: -0.696
local terms energy: -266.715994
where:
bonds (distance) C4'-P energy: -57.195
bonds (distance) P-C4' energy: -59.849
flat angles C4'-P-C4' energy: -60.745
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -48.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -608.662011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.662011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.662011 (E_RNA)
where:
Base-Base interactions energy: -345.793
where: short stacking energy: -162.491
Base-Backbone interact. energy: -0.457
local terms energy: -262.412448
where:
bonds (distance) C4'-P energy: -57.936
bonds (distance) P-C4' energy: -60.753
flat angles C4'-P-C4' energy: -62.167
flat angles P-C4'-P energy: -42.257
tors. eta vs tors. theta energy: -39.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -462.802773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.802773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.802773 (E_RNA)
where:
Base-Base interactions energy: -252.147
where: short stacking energy: -129.252
Base-Backbone interact. energy: -0.429
local terms energy: -210.226470
where:
bonds (distance) C4'-P energy: -56.412
bonds (distance) P-C4' energy: -63.062
flat angles C4'-P-C4' energy: -59.234
flat angles P-C4'-P energy: -21.645
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -449.299965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.299965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.299965 (E_RNA)
where:
Base-Base interactions energy: -265.297
where: short stacking energy: -146.116
Base-Backbone interact. energy: -1.259
local terms energy: -182.743333
where:
bonds (distance) C4'-P energy: -57.269
bonds (distance) P-C4' energy: -43.837
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -259.504321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.504321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.504321 (E_RNA)
where:
Base-Base interactions energy: -84.299
where: short stacking energy: -71.442
Base-Backbone interact. energy: 0.278
local terms energy: -175.483529
where:
bonds (distance) C4'-P energy: -60.362
bonds (distance) P-C4' energy: -66.814
flat angles C4'-P-C4' energy: -40.450
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: 14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1136.759469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.759469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.759469 (E_RNA)
where:
Base-Base interactions energy: -770.385
where: short stacking energy: -324.912
Base-Backbone interact. energy: -1.433
local terms energy: -364.941222
where:
bonds (distance) C4'-P energy: -67.678
bonds (distance) P-C4' energy: -66.211
flat angles C4'-P-C4' energy: -77.415
flat angles P-C4'-P energy: -47.192
tors. eta vs tors. theta energy: -106.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1114.705287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.705287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.705287 (E_RNA)
where:
Base-Base interactions energy: -760.030
where: short stacking energy: -310.237
Base-Backbone interact. energy: -0.350
local terms energy: -354.325516
where:
bonds (distance) C4'-P energy: -61.547
bonds (distance) P-C4' energy: -64.186
flat angles C4'-P-C4' energy: -78.109
flat angles P-C4'-P energy: -50.577
tors. eta vs tors. theta energy: -99.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -916.011602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.011602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.011602 (E_RNA)
where:
Base-Base interactions energy: -596.241
where: short stacking energy: -260.836
Base-Backbone interact. energy: 0.227
local terms energy: -319.997356
where:
bonds (distance) C4'-P energy: -56.974
bonds (distance) P-C4' energy: -67.574
flat angles C4'-P-C4' energy: -69.373
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -82.537
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: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -903.466824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.466824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.466824 (E_RNA)
where:
Base-Base interactions energy: -584.328
where: short stacking energy: -254.817
Base-Backbone interact. energy: -1.486
local terms energy: -317.653285
where:
bonds (distance) C4'-P energy: -62.633
bonds (distance) P-C4' energy: -62.340
flat angles C4'-P-C4' energy: -68.713
flat angles P-C4'-P energy: -48.612
tors. eta vs tors. theta energy: -75.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -811.736442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.736442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.736442 (E_RNA)
where:
Base-Base interactions energy: -515.267
where: short stacking energy: -234.323
Base-Backbone interact. energy: -3.735
local terms energy: -292.734993
where:
bonds (distance) C4'-P energy: -62.308
bonds (distance) P-C4' energy: -65.120
flat angles C4'-P-C4' energy: -70.139
flat angles P-C4'-P energy: -35.387
tors. eta vs tors. theta energy: -59.782
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: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -691.833282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.833282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.833282 (E_RNA)
where:
Base-Base interactions energy: -418.314
where: short stacking energy: -169.833
Base-Backbone interact. energy: -0.647
local terms energy: -272.872332
where:
bonds (distance) C4'-P energy: -66.915
bonds (distance) P-C4' energy: -58.861
flat angles C4'-P-C4' energy: -64.642
flat angles P-C4'-P energy: -50.115
tors. eta vs tors. theta energy: -32.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -640.992369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.992369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.992369 (E_RNA)
where:
Base-Base interactions energy: -401.310
where: short stacking energy: -178.116
Base-Backbone interact. energy: -0.400
local terms energy: -239.281837
where:
bonds (distance) C4'-P energy: -56.774
bonds (distance) P-C4' energy: -65.517
flat angles C4'-P-C4' energy: -50.427
flat angles P-C4'-P energy: -35.112
tors. eta vs tors. theta energy: -31.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -476.028958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.028958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.028958 (E_RNA)
where:
Base-Base interactions energy: -276.148
where: short stacking energy: -140.618
Base-Backbone interact. energy: 2.335
local terms energy: -202.215874
where:
bonds (distance) C4'-P energy: -50.298
bonds (distance) P-C4' energy: -61.640
flat angles C4'-P-C4' energy: -50.912
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -7.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -470.474205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.474205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.474205 (E_RNA)
where:
Base-Base interactions energy: -246.092
where: short stacking energy: -122.692
Base-Backbone interact. energy: -1.541
local terms energy: -222.841233
where:
bonds (distance) C4'-P energy: -53.040
bonds (distance) P-C4' energy: -57.440
flat angles C4'-P-C4' energy: -57.922
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: -15.382
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: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -260.267280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.267280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.267280 (E_RNA)
where:
Base-Base interactions energy: -85.207
where: short stacking energy: -72.843
Base-Backbone interact. energy: 1.668
local terms energy: -176.728203
where:
bonds (distance) C4'-P energy: -57.008
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -55.879
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: 4.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1155.698771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.698771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.698771 (E_RNA)
where:
Base-Base interactions energy: -773.165
where: short stacking energy: -321.090
Base-Backbone interact. energy: 0.170
local terms energy: -382.703603
where:
bonds (distance) C4'-P energy: -77.699
bonds (distance) P-C4' energy: -70.819
flat angles C4'-P-C4' energy: -72.277
flat angles P-C4'-P energy: -58.021
tors. eta vs tors. theta energy: -103.887
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: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1118.994571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.994571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.994571 (E_RNA)
where:
Base-Base interactions energy: -775.183
where: short stacking energy: -306.407
Base-Backbone interact. energy: 0.802
local terms energy: -344.613855
where:
bonds (distance) C4'-P energy: -65.493
bonds (distance) P-C4' energy: -70.623
flat angles C4'-P-C4' energy: -64.134
flat angles P-C4'-P energy: -43.306
tors. eta vs tors. theta energy: -101.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -911.991458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.991458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.991458 (E_RNA)
where:
Base-Base interactions energy: -599.023
where: short stacking energy: -258.395
Base-Backbone interact. energy: -1.841
local terms energy: -311.127068
where:
bonds (distance) C4'-P energy: -64.509
bonds (distance) P-C4' energy: -78.128
flat angles C4'-P-C4' energy: -63.180
flat angles P-C4'-P energy: -42.371
tors. eta vs tors. theta energy: -62.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -894.681426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.681426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.681426 (E_RNA)
where:
Base-Base interactions energy: -583.175
where: short stacking energy: -270.443
Base-Backbone interact. energy: 1.631
local terms energy: -313.137436
where:
bonds (distance) C4'-P energy: -60.480
bonds (distance) P-C4' energy: -64.150
flat angles C4'-P-C4' energy: -68.101
flat angles P-C4'-P energy: -40.241
tors. eta vs tors. theta energy: -80.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -790.384171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.384171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.384171 (E_RNA)
where:
Base-Base interactions energy: -508.431
where: short stacking energy: -228.902
Base-Backbone interact. energy: 1.793
local terms energy: -283.745762
where:
bonds (distance) C4'-P energy: -55.152
bonds (distance) P-C4' energy: -66.985
flat angles C4'-P-C4' energy: -54.165
flat angles P-C4'-P energy: -42.616
tors. eta vs tors. theta energy: -64.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -686.240614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.240614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.240614 (E_RNA)
where:
Base-Base interactions energy: -437.027
where: short stacking energy: -190.267
Base-Backbone interact. energy: -1.344
local terms energy: -247.869712
where:
bonds (distance) C4'-P energy: -62.422
bonds (distance) P-C4' energy: -58.846
flat angles C4'-P-C4' energy: -60.883
flat angles P-C4'-P energy: -35.296
tors. eta vs tors. theta energy: -30.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -642.505647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.505647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.505647 (E_RNA)
where:
Base-Base interactions energy: -394.054
where: short stacking energy: -187.306
Base-Backbone interact. energy: -0.939
local terms energy: -247.512546
where:
bonds (distance) C4'-P energy: -52.981
bonds (distance) P-C4' energy: -55.278
flat angles C4'-P-C4' energy: -64.430
flat angles P-C4'-P energy: -35.339
tors. eta vs tors. theta energy: -39.485
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: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -542.821890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.821890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.821890 (E_RNA)
where:
Base-Base interactions energy: -330.394
where: short stacking energy: -156.230
Base-Backbone interact. energy: 1.579
local terms energy: -214.007639
where:
bonds (distance) C4'-P energy: -50.850
bonds (distance) P-C4' energy: -55.715
flat angles C4'-P-C4' energy: -63.440
flat angles P-C4'-P energy: -25.495
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -458.746043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.746043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.746043 (E_RNA)
where:
Base-Base interactions energy: -253.792
where: short stacking energy: -112.347
Base-Backbone interact. energy: -0.825
local terms energy: -204.128934
where:
bonds (distance) C4'-P energy: -64.356
bonds (distance) P-C4' energy: -53.409
flat angles C4'-P-C4' energy: -42.896
flat angles P-C4'-P energy: -37.688
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: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -300.824149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.824149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.824149 (E_RNA)
where:
Base-Base interactions energy: -116.136
where: short stacking energy: -91.034
Base-Backbone interact. energy: -1.006
local terms energy: -183.682219
where:
bonds (distance) C4'-P energy: -51.958
bonds (distance) P-C4' energy: -62.510
flat angles C4'-P-C4' energy: -42.490
flat angles P-C4'-P energy: -33.619
tors. eta vs tors. theta energy: 6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1134.823649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.823649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.823649 (E_RNA)
where:
Base-Base interactions energy: -753.729
where: short stacking energy: -319.394
Base-Backbone interact. energy: -0.851
local terms energy: -380.243947
where:
bonds (distance) C4'-P energy: -70.459
bonds (distance) P-C4' energy: -68.687
flat angles C4'-P-C4' energy: -84.983
flat angles P-C4'-P energy: -51.092
tors. eta vs tors. theta energy: -105.022
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: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1112.491420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.491420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.491420 (E_RNA)
where:
Base-Base interactions energy: -755.758
where: short stacking energy: -323.773
Base-Backbone interact. energy: -1.336
local terms energy: -355.397716
where:
bonds (distance) C4'-P energy: -61.883
bonds (distance) P-C4' energy: -64.964
flat angles C4'-P-C4' energy: -71.951
flat angles P-C4'-P energy: -56.176
tors. eta vs tors. theta energy: -100.425
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: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -941.406576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.406576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.406576 (E_RNA)
where:
Base-Base interactions energy: -618.251
where: short stacking energy: -281.676
Base-Backbone interact. energy: -0.672
local terms energy: -322.483896
where:
bonds (distance) C4'-P energy: -67.421
bonds (distance) P-C4' energy: -62.609
flat angles C4'-P-C4' energy: -67.110
flat angles P-C4'-P energy: -37.200
tors. eta vs tors. theta energy: -88.145
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: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -906.645563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.645563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.645563 (E_RNA)
where:
Base-Base interactions energy: -585.223
where: short stacking energy: -255.389
Base-Backbone interact. energy: -0.862
local terms energy: -320.560811
where:
bonds (distance) C4'-P energy: -59.082
bonds (distance) P-C4' energy: -71.533
flat angles C4'-P-C4' energy: -68.480
flat angles P-C4'-P energy: -51.656
tors. eta vs tors. theta energy: -69.810
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: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -799.948820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.948820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.948820 (E_RNA)
where:
Base-Base interactions energy: -510.799
where: short stacking energy: -220.677
Base-Backbone interact. energy: 4.776
local terms energy: -293.926466
where:
bonds (distance) C4'-P energy: -64.289
bonds (distance) P-C4' energy: -70.976
flat angles C4'-P-C4' energy: -53.921
flat angles P-C4'-P energy: -45.349
tors. eta vs tors. theta energy: -59.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -714.382109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.382109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.382109 (E_RNA)
where:
Base-Base interactions energy: -454.720
where: short stacking energy: -204.773
Base-Backbone interact. energy: 0.293
local terms energy: -259.955185
where:
bonds (distance) C4'-P energy: -64.573
bonds (distance) P-C4' energy: -61.799
flat angles C4'-P-C4' energy: -56.853
flat angles P-C4'-P energy: -37.560
tors. eta vs tors. theta energy: -39.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -593.283467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.283467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.283467 (E_RNA)
where:
Base-Base interactions energy: -354.927
where: short stacking energy: -165.916
Base-Backbone interact. energy: -0.877
local terms energy: -237.479115
where:
bonds (distance) C4'-P energy: -49.372
bonds (distance) P-C4' energy: -51.418
flat angles C4'-P-C4' energy: -54.244
flat angles P-C4'-P energy: -43.035
tors. eta vs tors. theta energy: -39.411
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: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -551.966455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.966455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.966455 (E_RNA)
where:
Base-Base interactions energy: -325.305
where: short stacking energy: -166.416
Base-Backbone interact. energy: -1.024
local terms energy: -225.637305
where:
bonds (distance) C4'-P energy: -54.832
bonds (distance) P-C4' energy: -59.830
flat angles C4'-P-C4' energy: -49.420
flat angles P-C4'-P energy: -38.972
tors. eta vs tors. theta energy: -22.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -476.408856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.408856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.408856 (E_RNA)
where:
Base-Base interactions energy: -288.148
where: short stacking energy: -126.435
Base-Backbone interact. energy: 2.768
local terms energy: -191.029054
where:
bonds (distance) C4'-P energy: -54.853
bonds (distance) P-C4' energy: -57.889
flat angles C4'-P-C4' energy: -43.715
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -271.623474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.623474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.623474 (E_RNA)
where:
Base-Base interactions energy: -91.559
where: short stacking energy: -57.498
Base-Backbone interact. energy: -1.166
local terms energy: -179.518479
where:
bonds (distance) C4'-P energy: -61.233
bonds (distance) P-C4' energy: -55.823
flat angles C4'-P-C4' energy: -44.133
flat angles P-C4'-P energy: -41.898
tors. eta vs tors. theta energy: 23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.620 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1125.841348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.841348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.841348 (E_RNA)
where:
Base-Base interactions energy: -769.740
where: short stacking energy: -331.371
Base-Backbone interact. energy: -0.117
local terms energy: -355.984717
where:
bonds (distance) C4'-P energy: -67.444
bonds (distance) P-C4' energy: -60.481
flat angles C4'-P-C4' energy: -72.413
flat angles P-C4'-P energy: -58.669
tors. eta vs tors. theta energy: -96.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1111.084294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.084294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.084294 (E_RNA)
where:
Base-Base interactions energy: -771.802
where: short stacking energy: -317.739
Base-Backbone interact. energy: 1.296
local terms energy: -340.578433
where:
bonds (distance) C4'-P energy: -52.436
bonds (distance) P-C4' energy: -67.413
flat angles C4'-P-C4' energy: -72.887
flat angles P-C4'-P energy: -51.391
tors. eta vs tors. theta energy: -96.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -945.517391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.517391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.517391 (E_RNA)
where:
Base-Base interactions energy: -616.585
where: short stacking energy: -280.390
Base-Backbone interact. energy: -0.497
local terms energy: -328.435360
where:
bonds (distance) C4'-P energy: -59.434
bonds (distance) P-C4' energy: -73.539
flat angles C4'-P-C4' energy: -67.667
flat angles P-C4'-P energy: -41.538
tors. eta vs tors. theta energy: -86.257
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: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -927.909995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.909995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.909995 (E_RNA)
where:
Base-Base interactions energy: -605.531
where: short stacking energy: -262.681
Base-Backbone interact. energy: 1.055
local terms energy: -323.433652
where:
bonds (distance) C4'-P energy: -62.281
bonds (distance) P-C4' energy: -63.661
flat angles C4'-P-C4' energy: -76.879
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -74.534
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: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -838.996575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.996575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.996575 (E_RNA)
where:
Base-Base interactions energy: -556.377
where: short stacking energy: -247.296
Base-Backbone interact. energy: -1.006
local terms energy: -281.613199
where:
bonds (distance) C4'-P energy: -61.920
bonds (distance) P-C4' energy: -43.943
flat angles C4'-P-C4' energy: -64.684
flat angles P-C4'-P energy: -38.559
tors. eta vs tors. theta energy: -72.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -777.875323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.875323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.875323 (E_RNA)
where:
Base-Base interactions energy: -524.562
where: short stacking energy: -228.485
Base-Backbone interact. energy: -1.010
local terms energy: -252.303136
where:
bonds (distance) C4'-P energy: -58.564
bonds (distance) P-C4' energy: -48.056
flat angles C4'-P-C4' energy: -61.435
flat angles P-C4'-P energy: -40.633
tors. eta vs tors. theta energy: -43.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -685.202785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.202785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.202785 (E_RNA)
where:
Base-Base interactions energy: -435.562
where: short stacking energy: -193.428
Base-Backbone interact. energy: 1.380
local terms energy: -251.020686
where:
bonds (distance) C4'-P energy: -42.397
bonds (distance) P-C4' energy: -63.889
flat angles C4'-P-C4' energy: -63.576
flat angles P-C4'-P energy: -36.644
tors. eta vs tors. theta energy: -44.515
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: 141
Temperature: 1.250000
Total energy: -533.636666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.636666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.636666 (E_RNA)
where:
Base-Base interactions energy: -302.422
where: short stacking energy: -154.822
Base-Backbone interact. energy: -0.913
local terms energy: -230.302140
where:
bonds (distance) C4'-P energy: -54.690
bonds (distance) P-C4' energy: -57.660
flat angles C4'-P-C4' energy: -51.206
flat angles P-C4'-P energy: -32.820
tors. eta vs tors. theta energy: -33.927
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: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -439.538950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.538950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.538950 (E_RNA)
where:
Base-Base interactions energy: -237.297
where: short stacking energy: -129.887
Base-Backbone interact. energy: -2.328
local terms energy: -199.914198
where:
bonds (distance) C4'-P energy: -51.746
bonds (distance) P-C4' energy: -61.501
flat angles C4'-P-C4' energy: -45.963
flat angles P-C4'-P energy: -30.724
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -260.427485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.427485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.427485 (E_RNA)
where:
Base-Base interactions energy: -88.080
where: short stacking energy: -71.850
Base-Backbone interact. energy: 4.867
local terms energy: -177.215045
where:
bonds (distance) C4'-P energy: -51.516
bonds (distance) P-C4' energy: -64.767
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -16.874
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: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1152.789091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.789091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.789091 (E_RNA)
where:
Base-Base interactions energy: -781.352
where: short stacking energy: -327.348
Base-Backbone interact. energy: -2.332
local terms energy: -369.605008
where:
bonds (distance) C4'-P energy: -70.696
bonds (distance) P-C4' energy: -69.250
flat angles C4'-P-C4' energy: -78.412
flat angles P-C4'-P energy: -51.238
tors. eta vs tors. theta energy: -100.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.499 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1122.855370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.855370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.855370 (E_RNA)
where:
Base-Base interactions energy: -759.592
where: short stacking energy: -320.530
Base-Backbone interact. energy: -1.084
local terms energy: -362.178801
where:
bonds (distance) C4'-P energy: -63.149
bonds (distance) P-C4' energy: -62.738
flat angles C4'-P-C4' energy: -77.168
flat angles P-C4'-P energy: -55.211
tors. eta vs tors. theta energy: -103.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -951.306395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.306395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.306395 (E_RNA)
where:
Base-Base interactions energy: -622.168
where: short stacking energy: -289.286
Base-Backbone interact. energy: 1.427
local terms energy: -330.565379
where:
bonds (distance) C4'-P energy: -60.554
bonds (distance) P-C4' energy: -62.229
flat angles C4'-P-C4' energy: -78.982
flat angles P-C4'-P energy: -44.270
tors. eta vs tors. theta energy: -84.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -843.808660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.808660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.808660 (E_RNA)
where:
Base-Base interactions energy: -557.001
where: short stacking energy: -227.207
Base-Backbone interact. energy: 3.651
local terms energy: -290.458846
where:
bonds (distance) C4'-P energy: -56.927
bonds (distance) P-C4' energy: -67.318
flat angles C4'-P-C4' energy: -54.390
flat angles P-C4'-P energy: -48.504
tors. eta vs tors. theta energy: -63.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -803.979680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.979680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.979680 (E_RNA)
where:
Base-Base interactions energy: -508.904
where: short stacking energy: -226.004
Base-Backbone interact. energy: 0.262
local terms energy: -295.337303
where:
bonds (distance) C4'-P energy: -56.019
bonds (distance) P-C4' energy: -63.644
flat angles C4'-P-C4' energy: -69.622
flat angles P-C4'-P energy: -46.733
tors. eta vs tors. theta energy: -59.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -803.422105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.422105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.422105 (E_RNA)
where:
Base-Base interactions energy: -525.548
where: short stacking energy: -226.029
Base-Backbone interact. energy: -2.973
local terms energy: -274.900704
where:
bonds (distance) C4'-P energy: -59.310
bonds (distance) P-C4' energy: -64.490
flat angles C4'-P-C4' energy: -62.547
flat angles P-C4'-P energy: -40.355
tors. eta vs tors. theta energy: -48.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -529.925376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.925376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.925376 (E_RNA)
where:
Base-Base interactions energy: -322.465
where: short stacking energy: -163.293
Base-Backbone interact. energy: -1.488
local terms energy: -205.971979
where:
bonds (distance) C4'-P energy: -53.006
bonds (distance) P-C4' energy: -65.090
flat angles C4'-P-C4' energy: -42.941
flat angles P-C4'-P energy: -23.687
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -642.038064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.038064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.038064 (E_RNA)
where:
Base-Base interactions energy: -391.878
where: short stacking energy: -184.719
Base-Backbone interact. energy: 2.253
local terms energy: -252.412696
where:
bonds (distance) C4'-P energy: -58.044
bonds (distance) P-C4' energy: -59.189
flat angles C4'-P-C4' energy: -51.240
flat angles P-C4'-P energy: -41.327
tors. eta vs tors. theta energy: -42.613
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: 9, replica: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -458.951100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.951100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.951100 (E_RNA)
where:
Base-Base interactions energy: -262.022
where: short stacking energy: -131.813
Base-Backbone interact. energy: -0.826
local terms energy: -196.102907
where:
bonds (distance) C4'-P energy: -50.238
bonds (distance) P-C4' energy: -47.211
flat angles C4'-P-C4' energy: -50.963
flat angles P-C4'-P energy: -38.403
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -257.716242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.716242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.716242 (E_RNA)
where:
Base-Base interactions energy: -87.814
where: short stacking energy: -76.793
Base-Backbone interact. energy: 1.745
local terms energy: -171.647156
where:
bonds (distance) C4'-P energy: -56.655
bonds (distance) P-C4' energy: -58.293
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -31.554
tors. eta vs tors. theta energy: 12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1136.149179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.149179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.149179 (E_RNA)
where:
Base-Base interactions energy: -777.920
where: short stacking energy: -295.120
Base-Backbone interact. energy: -0.655
local terms energy: -357.573355
where:
bonds (distance) C4'-P energy: -71.389
bonds (distance) P-C4' energy: -60.324
flat angles C4'-P-C4' energy: -78.067
flat angles P-C4'-P energy: -55.388
tors. eta vs tors. theta energy: -92.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1084.003094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.003094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.003094 (E_RNA)
where:
Base-Base interactions energy: -743.638
where: short stacking energy: -326.666
Base-Backbone interact. energy: -0.236
local terms energy: -340.128773
where:
bonds (distance) C4'-P energy: -59.540
bonds (distance) P-C4' energy: -56.812
flat angles C4'-P-C4' energy: -76.021
flat angles P-C4'-P energy: -48.132
tors. eta vs tors. theta energy: -99.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -925.744890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.744890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.744890 (E_RNA)
where:
Base-Base interactions energy: -610.823
where: short stacking energy: -270.135
Base-Backbone interact. energy: -1.019
local terms energy: -313.902738
where:
bonds (distance) C4'-P energy: -57.727
bonds (distance) P-C4' energy: -67.606
flat angles C4'-P-C4' energy: -71.372
flat angles P-C4'-P energy: -42.146
tors. eta vs tors. theta energy: -75.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -859.979896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.979896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.979896 (E_RNA)
where:
Base-Base interactions energy: -572.543
where: short stacking energy: -242.094
Base-Backbone interact. energy: -0.077
local terms energy: -287.360038
where:
bonds (distance) C4'-P energy: -58.326
bonds (distance) P-C4' energy: -65.367
flat angles C4'-P-C4' energy: -56.126
flat angles P-C4'-P energy: -39.398
tors. eta vs tors. theta energy: -68.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -840.002405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.002405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.002405 (E_RNA)
where:
Base-Base interactions energy: -547.529
where: short stacking energy: -230.557
Base-Backbone interact. energy: -1.429
local terms energy: -291.044069
where:
bonds (distance) C4'-P energy: -68.813
bonds (distance) P-C4' energy: -62.242
flat angles C4'-P-C4' energy: -73.409
flat angles P-C4'-P energy: -29.534
tors. eta vs tors. theta energy: -57.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -840.290256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.290256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.290256 (E_RNA)
where:
Base-Base interactions energy: -554.557
where: short stacking energy: -239.572
Base-Backbone interact. energy: -2.245
local terms energy: -283.488055
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -60.815
flat angles C4'-P-C4' energy: -62.091
flat angles P-C4'-P energy: -40.854
tors. eta vs tors. theta energy: -55.772
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: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -600.700762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.700762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.700762 (E_RNA)
where:
Base-Base interactions energy: -357.055
where: short stacking energy: -191.633
Base-Backbone interact. energy: -0.989
local terms energy: -242.656509
where:
bonds (distance) C4'-P energy: -61.304
bonds (distance) P-C4' energy: -69.961
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -27.279
tors. eta vs tors. theta energy: -35.046
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: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -512.516753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.516753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.516753 (E_RNA)
where:
Base-Base interactions energy: -299.230
where: short stacking energy: -139.550
Base-Backbone interact. energy: 0.254
local terms energy: -213.540157
where:
bonds (distance) C4'-P energy: -47.489
bonds (distance) P-C4' energy: -62.634
flat angles C4'-P-C4' energy: -49.011
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -342.679212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.679212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.679212 (E_RNA)
where:
Base-Base interactions energy: -124.847
where: short stacking energy: -73.626
Base-Backbone interact. energy: 0.918
local terms energy: -218.929554
where:
bonds (distance) C4'-P energy: -64.085
bonds (distance) P-C4' energy: -65.955
flat angles C4'-P-C4' energy: -51.436
flat angles P-C4'-P energy: -38.236
tors. eta vs tors. theta energy: 0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.178 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -274.672732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.672732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.672732 (E_RNA)
where:
Base-Base interactions energy: -97.014
where: short stacking energy: -54.301
Base-Backbone interact. energy: -1.505
local terms energy: -176.153428
where:
bonds (distance) C4'-P energy: -66.940
bonds (distance) P-C4' energy: -56.908
flat angles C4'-P-C4' energy: -42.963
flat angles P-C4'-P energy: -32.788
tors. eta vs tors. theta energy: 23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1135.438021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.438021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.438021 (E_RNA)
where:
Base-Base interactions energy: -817.979
where: short stacking energy: -324.001
Base-Backbone interact. energy: 0.338
local terms energy: -318.483458
where:
bonds (distance) C4'-P energy: -55.549
bonds (distance) P-C4' energy: -57.170
flat angles C4'-P-C4' energy: -69.483
flat angles P-C4'-P energy: -44.743
tors. eta vs tors. theta energy: -91.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.686 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1092.748715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.748715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.748715 (E_RNA)
where:
Base-Base interactions energy: -745.292
where: short stacking energy: -298.105
Base-Backbone interact. energy: -1.329
local terms energy: -346.127619
where:
bonds (distance) C4'-P energy: -57.081
bonds (distance) P-C4' energy: -72.499
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -43.744
tors. eta vs tors. theta energy: -98.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -930.275622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.275622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.275622 (E_RNA)
where:
Base-Base interactions energy: -590.138
where: short stacking energy: -259.025
Base-Backbone interact. energy: 0.263
local terms energy: -340.399935
where:
bonds (distance) C4'-P energy: -77.056
bonds (distance) P-C4' energy: -63.989
flat angles C4'-P-C4' energy: -70.882
flat angles P-C4'-P energy: -48.161
tors. eta vs tors. theta energy: -80.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -862.497754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.497754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.497754 (E_RNA)
where:
Base-Base interactions energy: -562.747
where: short stacking energy: -214.712
Base-Backbone interact. energy: -1.145
local terms energy: -298.606246
where:
bonds (distance) C4'-P energy: -62.070
bonds (distance) P-C4' energy: -73.685
flat angles C4'-P-C4' energy: -67.706
flat angles P-C4'-P energy: -42.582
tors. eta vs tors. theta energy: -52.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -858.379483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.379483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.379483 (E_RNA)
where:
Base-Base interactions energy: -562.715
where: short stacking energy: -255.099
Base-Backbone interact. energy: -1.064
local terms energy: -294.600518
where:
bonds (distance) C4'-P energy: -64.599
bonds (distance) P-C4' energy: -68.047
flat angles C4'-P-C4' energy: -60.688
flat angles P-C4'-P energy: -24.421
tors. eta vs tors. theta energy: -76.845
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: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -782.356203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.356203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.356203 (E_RNA)
where:
Base-Base interactions energy: -517.054
where: short stacking energy: -213.761
Base-Backbone interact. energy: -3.487
local terms energy: -261.815064
where:
bonds (distance) C4'-P energy: -56.087
bonds (distance) P-C4' energy: -60.226
flat angles C4'-P-C4' energy: -63.261
flat angles P-C4'-P energy: -38.347
tors. eta vs tors. theta energy: -43.893
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: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -591.381977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.381977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.381977 (E_RNA)
where:
Base-Base interactions energy: -363.970
where: short stacking energy: -181.725
Base-Backbone interact. energy: 1.841
local terms energy: -229.252444
where:
bonds (distance) C4'-P energy: -60.012
bonds (distance) P-C4' energy: -61.882
flat angles C4'-P-C4' energy: -56.026
flat angles P-C4'-P energy: -30.441
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -526.441125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.441125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.441125 (E_RNA)
where:
Base-Base interactions energy: -302.750
where: short stacking energy: -147.735
Base-Backbone interact. energy: -0.477
local terms energy: -223.214565
where:
bonds (distance) C4'-P energy: -56.640
bonds (distance) P-C4' energy: -57.249
flat angles C4'-P-C4' energy: -50.411
flat angles P-C4'-P energy: -34.059
tors. eta vs tors. theta energy: -24.855
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: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -343.331373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.331373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.331373 (E_RNA)
where:
Base-Base interactions energy: -169.867
where: short stacking energy: -86.511
Base-Backbone interact. energy: -0.035
local terms energy: -173.429394
where:
bonds (distance) C4'-P energy: -62.412
bonds (distance) P-C4' energy: -53.629
flat angles C4'-P-C4' energy: -46.931
flat angles P-C4'-P energy: -25.078
tors. eta vs tors. theta energy: 14.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -303.360381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.360381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.360381 (E_RNA)
where:
Base-Base interactions energy: -112.510
where: short stacking energy: -79.460
Base-Backbone interact. energy: 1.695
local terms energy: -192.545670
where:
bonds (distance) C4'-P energy: -55.049
bonds (distance) P-C4' energy: -64.234
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -26.191
tors. eta vs tors. theta energy: 7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1151.778689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.778689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.778689 (E_RNA)
where:
Base-Base interactions energy: -786.614
where: short stacking energy: -312.896
Base-Backbone interact. energy: -1.657
local terms energy: -363.508461
where:
bonds (distance) C4'-P energy: -58.783
bonds (distance) P-C4' energy: -72.031
flat angles C4'-P-C4' energy: -78.034
flat angles P-C4'-P energy: -53.169
tors. eta vs tors. theta energy: -101.492
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1109.202767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.202767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.202767 (E_RNA)
where:
Base-Base interactions energy: -759.241
where: short stacking energy: -309.951
Base-Backbone interact. energy: -1.074
local terms energy: -348.887768
where:
bonds (distance) C4'-P energy: -52.726
bonds (distance) P-C4' energy: -66.447
flat angles C4'-P-C4' energy: -77.210
flat angles P-C4'-P energy: -52.550
tors. eta vs tors. theta energy: -99.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -959.218607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.218607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.218607 (E_RNA)
where:
Base-Base interactions energy: -620.774
where: short stacking energy: -293.361
Base-Backbone interact. energy: -0.991
local terms energy: -337.453281
where:
bonds (distance) C4'-P energy: -60.941
bonds (distance) P-C4' energy: -66.315
flat angles C4'-P-C4' energy: -72.673
flat angles P-C4'-P energy: -40.817
tors. eta vs tors. theta energy: -96.707
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: 145
Temperature: 1.050000
Total energy: -901.035573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.035573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.035573 (E_RNA)
where:
Base-Base interactions energy: -593.575
where: short stacking energy: -266.990
Base-Backbone interact. energy: -0.821
local terms energy: -306.639164
where:
bonds (distance) C4'-P energy: -60.305
bonds (distance) P-C4' energy: -59.775
flat angles C4'-P-C4' energy: -67.200
flat angles P-C4'-P energy: -47.085
tors. eta vs tors. theta energy: -72.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -852.668067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.668067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.668067 (E_RNA)
where:
Base-Base interactions energy: -563.778
where: short stacking energy: -249.639
Base-Backbone interact. energy: 1.332
local terms energy: -290.221629
where:
bonds (distance) C4'-P energy: -51.860
bonds (distance) P-C4' energy: -68.854
flat angles C4'-P-C4' energy: -68.026
flat angles P-C4'-P energy: -40.268
tors. eta vs tors. theta energy: -61.213
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: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -763.665382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.665382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.665382 (E_RNA)
where:
Base-Base interactions energy: -478.248
where: short stacking energy: -211.145
Base-Backbone interact. energy: -1.185
local terms energy: -284.232202
where:
bonds (distance) C4'-P energy: -66.001
bonds (distance) P-C4' energy: -58.799
flat angles C4'-P-C4' energy: -63.927
flat angles P-C4'-P energy: -49.017
tors. eta vs tors. theta energy: -46.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -580.284022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.284022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.284022 (E_RNA)
where:
Base-Base interactions energy: -348.324
where: short stacking energy: -179.960
Base-Backbone interact. energy: 0.231
local terms energy: -232.191068
where:
bonds (distance) C4'-P energy: -48.525
bonds (distance) P-C4' energy: -57.840
flat angles C4'-P-C4' energy: -58.896
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -40.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -534.711789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.711789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.711789 (E_RNA)
where:
Base-Base interactions energy: -311.924
where: short stacking energy: -154.998
Base-Backbone interact. energy: 2.179
local terms energy: -224.967042
where:
bonds (distance) C4'-P energy: -58.748
bonds (distance) P-C4' energy: -52.276
flat angles C4'-P-C4' energy: -50.343
flat angles P-C4'-P energy: -36.082
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -458.198205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.198205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.198205 (E_RNA)
where:
Base-Base interactions energy: -274.699
where: short stacking energy: -124.921
Base-Backbone interact. energy: 1.177
local terms energy: -184.676021
where:
bonds (distance) C4'-P energy: -52.876
bonds (distance) P-C4' energy: -46.777
flat angles C4'-P-C4' energy: -47.868
flat angles P-C4'-P energy: -30.430
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -280.263675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.263675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.263675 (E_RNA)
where:
Base-Base interactions energy: -101.379
where: short stacking energy: -54.802
Base-Backbone interact. energy: -2.910
local terms energy: -175.975060
where:
bonds (distance) C4'-P energy: -52.861
bonds (distance) P-C4' energy: -51.824
flat angles C4'-P-C4' energy: -61.973
flat angles P-C4'-P energy: -24.099
tors. eta vs tors. theta energy: 14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1128.623571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.623571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.623571 (E_RNA)
where:
Base-Base interactions energy: -782.118
where: short stacking energy: -320.311
Base-Backbone interact. energy: -1.274
local terms energy: -345.438111
where:
bonds (distance) C4'-P energy: -57.368
bonds (distance) P-C4' energy: -61.657
flat angles C4'-P-C4' energy: -64.490
flat angles P-C4'-P energy: -59.166
tors. eta vs tors. theta energy: -102.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.206 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1111.999270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.999270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.999270 (E_RNA)
where:
Base-Base interactions energy: -775.365
where: short stacking energy: -318.459
Base-Backbone interact. energy: 0.496
local terms energy: -337.129607
where:
bonds (distance) C4'-P energy: -57.709
bonds (distance) P-C4' energy: -57.108
flat angles C4'-P-C4' energy: -67.083
flat angles P-C4'-P energy: -53.003
tors. eta vs tors. theta energy: -102.227
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: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -940.315077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.315077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.315077 (E_RNA)
where:
Base-Base interactions energy: -601.212
where: short stacking energy: -258.417
Base-Backbone interact. energy: -1.393
local terms energy: -337.710119
where:
bonds (distance) C4'-P energy: -63.779
bonds (distance) P-C4' energy: -66.745
flat angles C4'-P-C4' energy: -69.578
flat angles P-C4'-P energy: -56.959
tors. eta vs tors. theta energy: -80.650
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: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -882.517792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.517792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.517792 (E_RNA)
where:
Base-Base interactions energy: -574.422
where: short stacking energy: -252.419
Base-Backbone interact. energy: 4.956
local terms energy: -313.052095
where:
bonds (distance) C4'-P energy: -58.144
bonds (distance) P-C4' energy: -61.772
flat angles C4'-P-C4' energy: -68.165
flat angles P-C4'-P energy: -48.413
tors. eta vs tors. theta energy: -76.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -802.737160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.737160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.737160 (E_RNA)
where:
Base-Base interactions energy: -499.677
where: short stacking energy: -238.801
Base-Backbone interact. energy: -3.248
local terms energy: -299.811697
where:
bonds (distance) C4'-P energy: -58.560
bonds (distance) P-C4' energy: -64.556
flat angles C4'-P-C4' energy: -70.247
flat angles P-C4'-P energy: -46.007
tors. eta vs tors. theta energy: -60.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -769.400475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.400475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.400475 (E_RNA)
where:
Base-Base interactions energy: -477.333
where: short stacking energy: -214.889
Base-Backbone interact. energy: -0.929
local terms energy: -291.138405
where:
bonds (distance) C4'-P energy: -64.568
bonds (distance) P-C4' energy: -64.375
flat angles C4'-P-C4' energy: -67.793
flat angles P-C4'-P energy: -40.142
tors. eta vs tors. theta energy: -54.260
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: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -557.315830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.315830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.315830 (E_RNA)
where:
Base-Base interactions energy: -330.676
where: short stacking energy: -157.899
Base-Backbone interact. energy: -1.167
local terms energy: -225.473208
where:
bonds (distance) C4'-P energy: -56.678
bonds (distance) P-C4' energy: -57.789
flat angles C4'-P-C4' energy: -52.093
flat angles P-C4'-P energy: -34.193
tors. eta vs tors. theta energy: -24.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -509.241642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.241642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.241642 (E_RNA)
where:
Base-Base interactions energy: -293.801
where: short stacking energy: -134.942
Base-Backbone interact. energy: 0.689
local terms energy: -216.129175
where:
bonds (distance) C4'-P energy: -69.696
bonds (distance) P-C4' energy: -55.379
flat angles C4'-P-C4' energy: -60.612
flat angles P-C4'-P energy: -25.088
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -462.846117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.846117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.846117 (E_RNA)
where:
Base-Base interactions energy: -265.946
where: short stacking energy: -115.865
Base-Backbone interact. energy: -2.218
local terms energy: -195.700125
where:
bonds (distance) C4'-P energy: -59.013
bonds (distance) P-C4' energy: -57.635
flat angles C4'-P-C4' energy: -48.006
flat angles P-C4'-P energy: -22.434
tors. eta vs tors. theta energy: -8.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.017 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -276.248113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.248113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.248113 (E_RNA)
where:
Base-Base interactions energy: -92.355
where: short stacking energy: -76.029
Base-Backbone interact. energy: -1.051
local terms energy: -182.842084
where:
bonds (distance) C4'-P energy: -54.742
bonds (distance) P-C4' energy: -66.842
flat angles C4'-P-C4' energy: -48.344
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: 2.327
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: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1124.043531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.043531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.043531 (E_RNA)
where:
Base-Base interactions energy: -750.284
where: short stacking energy: -311.724
Base-Backbone interact. energy: -0.868
local terms energy: -372.891588
where:
bonds (distance) C4'-P energy: -71.682
bonds (distance) P-C4' energy: -68.390
flat angles C4'-P-C4' energy: -82.538
flat angles P-C4'-P energy: -52.452
tors. eta vs tors. theta energy: -97.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1112.909953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.909953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.909953 (E_RNA)
where:
Base-Base interactions energy: -768.158
where: short stacking energy: -293.119
Base-Backbone interact. energy: -1.882
local terms energy: -342.869974
where:
bonds (distance) C4'-P energy: -63.769
bonds (distance) P-C4' energy: -59.617
flat angles C4'-P-C4' energy: -75.654
flat angles P-C4'-P energy: -49.232
tors. eta vs tors. theta energy: -94.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -916.251977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.251977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.251977 (E_RNA)
where:
Base-Base interactions energy: -597.527
where: short stacking energy: -271.972
Base-Backbone interact. energy: -1.667
local terms energy: -317.057412
where:
bonds (distance) C4'-P energy: -55.015
bonds (distance) P-C4' energy: -61.138
flat angles C4'-P-C4' energy: -70.970
flat angles P-C4'-P energy: -50.831
tors. eta vs tors. theta energy: -79.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -874.981030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.981030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.981030 (E_RNA)
where:
Base-Base interactions energy: -592.550
where: short stacking energy: -268.071
Base-Backbone interact. energy: -0.727
local terms energy: -281.704291
where:
bonds (distance) C4'-P energy: -53.651
bonds (distance) P-C4' energy: -63.063
flat angles C4'-P-C4' energy: -65.255
flat angles P-C4'-P energy: -31.313
tors. eta vs tors. theta energy: -68.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -779.597199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.597199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.597199 (E_RNA)
where:
Base-Base interactions energy: -513.548
where: short stacking energy: -219.906
Base-Backbone interact. energy: 1.336
local terms energy: -267.384546
where:
bonds (distance) C4'-P energy: -44.416
bonds (distance) P-C4' energy: -71.322
flat angles C4'-P-C4' energy: -57.900
flat angles P-C4'-P energy: -41.744
tors. eta vs tors. theta energy: -52.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -751.729236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.729236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.729236 (E_RNA)
where:
Base-Base interactions energy: -484.095
where: short stacking energy: -227.086
Base-Backbone interact. energy: -1.241
local terms energy: -266.392766
where:
bonds (distance) C4'-P energy: -56.884
bonds (distance) P-C4' energy: -57.424
flat angles C4'-P-C4' energy: -60.677
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -51.169
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: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -559.583624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.583624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.583624 (E_RNA)
where:
Base-Base interactions energy: -326.804
where: short stacking energy: -163.220
Base-Backbone interact. energy: -0.418
local terms energy: -232.361379
where:
bonds (distance) C4'-P energy: -63.718
bonds (distance) P-C4' energy: -50.562
flat angles C4'-P-C4' energy: -61.507
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -509.717876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.717876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.717876 (E_RNA)
where:
Base-Base interactions energy: -305.648
where: short stacking energy: -134.236
Base-Backbone interact. energy: -0.436
local terms energy: -203.634002
where:
bonds (distance) C4'-P energy: -49.274
bonds (distance) P-C4' energy: -65.786
flat angles C4'-P-C4' energy: -48.872
flat angles P-C4'-P energy: -24.608
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: 9, replica: 3
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -463.579435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.579435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.579435 (E_RNA)
where:
Base-Base interactions energy: -260.966
where: short stacking energy: -143.542
Base-Backbone interact. energy: -1.766
local terms energy: -201.245412
where:
bonds (distance) C4'-P energy: -51.671
bonds (distance) P-C4' energy: -53.445
flat angles C4'-P-C4' energy: -46.623
flat angles P-C4'-P energy: -31.692
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.398 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -255.141042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.141042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.141042 (E_RNA)
where:
Base-Base interactions energy: -83.163
where: short stacking energy: -68.028
Base-Backbone interact. energy: 0.268
local terms energy: -172.321563
where:
bonds (distance) C4'-P energy: -58.420
bonds (distance) P-C4' energy: -66.997
flat angles C4'-P-C4' energy: -39.593
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: 15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.076 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1124.416938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.416938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.416938 (E_RNA)
where:
Base-Base interactions energy: -766.699
where: short stacking energy: -299.654
Base-Backbone interact. energy: -2.630
local terms energy: -355.088199
where:
bonds (distance) C4'-P energy: -71.544
bonds (distance) P-C4' energy: -67.556
flat angles C4'-P-C4' energy: -78.604
flat angles P-C4'-P energy: -39.170
tors. eta vs tors. theta energy: -98.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1099.327856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.327856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.327856 (E_RNA)
where:
Base-Base interactions energy: -748.565
where: short stacking energy: -327.322
Base-Backbone interact. energy: -0.162
local terms energy: -350.600734
where:
bonds (distance) C4'-P energy: -68.665
bonds (distance) P-C4' energy: -71.195
flat angles C4'-P-C4' energy: -67.363
flat angles P-C4'-P energy: -39.651
tors. eta vs tors. theta energy: -103.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -904.554301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.554301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.554301 (E_RNA)
where:
Base-Base interactions energy: -595.216
where: short stacking energy: -234.324
Base-Backbone interact. energy: -2.343
local terms energy: -306.994947
where:
bonds (distance) C4'-P energy: -60.382
bonds (distance) P-C4' energy: -64.225
flat angles C4'-P-C4' energy: -70.149
flat angles P-C4'-P energy: -45.803
tors. eta vs tors. theta energy: -66.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -911.574101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.574101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.574101 (E_RNA)
where:
Base-Base interactions energy: -585.325
where: short stacking energy: -243.102
Base-Backbone interact. energy: 1.536
local terms energy: -327.785311
where:
bonds (distance) C4'-P energy: -66.017
bonds (distance) P-C4' energy: -68.190
flat angles C4'-P-C4' energy: -71.593
flat angles P-C4'-P energy: -45.099
tors. eta vs tors. theta energy: -76.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -794.490810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.490810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.490810 (E_RNA)
where:
Base-Base interactions energy: -505.717
where: short stacking energy: -215.901
Base-Backbone interact. energy: -0.605
local terms energy: -288.425934
where:
bonds (distance) C4'-P energy: -71.378
bonds (distance) P-C4' energy: -62.976
flat angles C4'-P-C4' energy: -51.346
flat angles P-C4'-P energy: -47.036
tors. eta vs tors. theta energy: -55.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.257 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -765.590108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.590108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.590108 (E_RNA)
where:
Base-Base interactions energy: -470.988
where: short stacking energy: -212.024
Base-Backbone interact. energy: -1.250
local terms energy: -293.351955
where:
bonds (distance) C4'-P energy: -56.413
bonds (distance) P-C4' energy: -68.709
flat angles C4'-P-C4' energy: -65.834
flat angles P-C4'-P energy: -46.674
tors. eta vs tors. theta energy: -55.723
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: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -556.501856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.501856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.501856 (E_RNA)
where:
Base-Base interactions energy: -322.114
where: short stacking energy: -155.374
Base-Backbone interact. energy: -0.490
local terms energy: -233.898121
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -70.400
flat angles C4'-P-C4' energy: -48.660
flat angles P-C4'-P energy: -41.181
tors. eta vs tors. theta energy: -27.938
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: 148
Temperature: 1.250000
Total energy: -547.548322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.548322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.548322 (E_RNA)
where:
Base-Base interactions energy: -333.692
where: short stacking energy: -172.386
Base-Backbone interact. energy: 0.366
local terms energy: -214.222374
where:
bonds (distance) C4'-P energy: -53.801
bonds (distance) P-C4' energy: -57.511
flat angles C4'-P-C4' energy: -48.259
flat angles P-C4'-P energy: -24.222
tors. eta vs tors. theta energy: -30.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -453.563549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.563549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.563549 (E_RNA)
where:
Base-Base interactions energy: -250.059
where: short stacking energy: -125.790
Base-Backbone interact. energy: 1.882
local terms energy: -205.386918
where:
bonds (distance) C4'-P energy: -60.330
bonds (distance) P-C4' energy: -64.244
flat angles C4'-P-C4' energy: -44.357
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -287.286148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.286148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.286148 (E_RNA)
where:
Base-Base interactions energy: -96.747
where: short stacking energy: -72.208
Base-Backbone interact. energy: 4.548
local terms energy: -195.086393
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -68.543
flat angles C4'-P-C4' energy: -60.924
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: 8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1121.894588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.894588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.894588 (E_RNA)
where:
Base-Base interactions energy: -767.598
where: short stacking energy: -307.279
Base-Backbone interact. energy: -1.949
local terms energy: -352.347086
where:
bonds (distance) C4'-P energy: -78.009
bonds (distance) P-C4' energy: -62.390
flat angles C4'-P-C4' energy: -68.948
flat angles P-C4'-P energy: -46.388
tors. eta vs tors. theta energy: -96.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1120.616428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.616428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.616428 (E_RNA)
where:
Base-Base interactions energy: -762.967
where: short stacking energy: -316.961
Base-Backbone interact. energy: -0.289
local terms energy: -357.360458
where:
bonds (distance) C4'-P energy: -69.408
bonds (distance) P-C4' energy: -72.429
flat angles C4'-P-C4' energy: -74.298
flat angles P-C4'-P energy: -37.326
tors. eta vs tors. theta energy: -103.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -930.187652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.187652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.187652 (E_RNA)
where:
Base-Base interactions energy: -610.284
where: short stacking energy: -262.555
Base-Backbone interact. energy: -3.606
local terms energy: -316.298012
where:
bonds (distance) C4'-P energy: -55.761
bonds (distance) P-C4' energy: -67.615
flat angles C4'-P-C4' energy: -71.143
flat angles P-C4'-P energy: -47.005
tors. eta vs tors. theta energy: -74.774
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: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -922.953808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.953808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.953808 (E_RNA)
where:
Base-Base interactions energy: -596.715
where: short stacking energy: -266.038
Base-Backbone interact. energy: -0.453
local terms energy: -325.785598
where:
bonds (distance) C4'-P energy: -56.912
bonds (distance) P-C4' energy: -71.341
flat angles C4'-P-C4' energy: -65.976
flat angles P-C4'-P energy: -50.888
tors. eta vs tors. theta energy: -80.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -771.754212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.754212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.754212 (E_RNA)
where:
Base-Base interactions energy: -528.845
where: short stacking energy: -236.326
Base-Backbone interact. energy: -1.598
local terms energy: -241.311884
where:
bonds (distance) C4'-P energy: -41.343
bonds (distance) P-C4' energy: -50.166
flat angles C4'-P-C4' energy: -56.713
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -47.980
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: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -764.017069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.017069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.017069 (E_RNA)
where:
Base-Base interactions energy: -487.285
where: short stacking energy: -220.871
Base-Backbone interact. energy: -1.946
local terms energy: -274.785944
where:
bonds (distance) C4'-P energy: -55.111
bonds (distance) P-C4' energy: -60.086
flat angles C4'-P-C4' energy: -59.431
flat angles P-C4'-P energy: -39.288
tors. eta vs tors. theta energy: -60.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -526.230839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.230839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.230839 (E_RNA)
where:
Base-Base interactions energy: -288.258
where: short stacking energy: -147.354
Base-Backbone interact. energy: 2.805
local terms energy: -241.627951
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -63.735
flat angles C4'-P-C4' energy: -52.466
flat angles P-C4'-P energy: -41.129
tors. eta vs tors. theta energy: -27.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.850 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -527.740224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.740224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.740224 (E_RNA)
where:
Base-Base interactions energy: -305.437
where: short stacking energy: -155.736
Base-Backbone interact. energy: -1.064
local terms energy: -221.238914
where:
bonds (distance) C4'-P energy: -51.693
bonds (distance) P-C4' energy: -67.878
flat angles C4'-P-C4' energy: -40.562
flat angles P-C4'-P energy: -26.249
tors. eta vs tors. theta energy: -34.857
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: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -513.021986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.021986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.021986 (E_RNA)
where:
Base-Base interactions energy: -318.005
where: short stacking energy: -140.308
Base-Backbone interact. energy: -0.697
local terms energy: -194.320035
where:
bonds (distance) C4'-P energy: -45.355
bonds (distance) P-C4' energy: -47.586
flat angles C4'-P-C4' energy: -47.937
flat angles P-C4'-P energy: -31.113
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -297.376089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.376089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.376089 (E_RNA)
where:
Base-Base interactions energy: -132.426
where: short stacking energy: -86.254
Base-Backbone interact. energy: 0.685
local terms energy: -165.634731
where:
bonds (distance) C4'-P energy: -49.905
bonds (distance) P-C4' energy: -60.192
flat angles C4'-P-C4' energy: -50.522
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: 19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1131.422231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.422231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.422231 (E_RNA)
where:
Base-Base interactions energy: -786.730
where: short stacking energy: -326.068
Base-Backbone interact. energy: -0.202
local terms energy: -345.611108
where:
bonds (distance) C4'-P energy: -65.573
bonds (distance) P-C4' energy: -58.984
flat angles C4'-P-C4' energy: -67.116
flat angles P-C4'-P energy: -47.127
tors. eta vs tors. theta energy: -106.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.121 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1096.857077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.857077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.857077 (E_RNA)
where:
Base-Base interactions energy: -749.049
where: short stacking energy: -307.516
Base-Backbone interact. energy: 0.187
local terms energy: -347.995033
where:
bonds (distance) C4'-P energy: -62.759
bonds (distance) P-C4' energy: -65.470
flat angles C4'-P-C4' energy: -78.926
flat angles P-C4'-P energy: -41.116
tors. eta vs tors. theta energy: -99.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -934.264702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.264702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.264702 (E_RNA)
where:
Base-Base interactions energy: -617.212
where: short stacking energy: -279.391
Base-Backbone interact. energy: -2.072
local terms energy: -314.981002
where:
bonds (distance) C4'-P energy: -63.105
bonds (distance) P-C4' energy: -60.657
flat angles C4'-P-C4' energy: -70.050
flat angles P-C4'-P energy: -44.360
tors. eta vs tors. theta energy: -76.809
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: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -921.088057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.088057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.088057 (E_RNA)
where:
Base-Base interactions energy: -611.623
where: short stacking energy: -247.273
Base-Backbone interact. energy: -2.233
local terms energy: -307.232243
where:
bonds (distance) C4'-P energy: -58.462
bonds (distance) P-C4' energy: -68.439
flat angles C4'-P-C4' energy: -68.016
flat angles P-C4'-P energy: -42.979
tors. eta vs tors. theta energy: -69.336
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: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -796.593314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.593314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.593314 (E_RNA)
where:
Base-Base interactions energy: -502.343
where: short stacking energy: -214.755
Base-Backbone interact. energy: -0.284
local terms energy: -293.966596
where:
bonds (distance) C4'-P energy: -65.507
bonds (distance) P-C4' energy: -64.704
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -54.884
tors. eta vs tors. theta energy: -48.117
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: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -762.242917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.242917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.242917 (E_RNA)
where:
Base-Base interactions energy: -487.713
where: short stacking energy: -215.893
Base-Backbone interact. energy: -0.383
local terms energy: -274.146799
where:
bonds (distance) C4'-P energy: -58.176
bonds (distance) P-C4' energy: -63.832
flat angles C4'-P-C4' energy: -64.398
flat angles P-C4'-P energy: -32.941
tors. eta vs tors. theta energy: -54.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -559.265423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.265423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.265423 (E_RNA)
where:
Base-Base interactions energy: -319.092
where: short stacking energy: -160.332
Base-Backbone interact. energy: -1.337
local terms energy: -238.837141
where:
bonds (distance) C4'-P energy: -45.973
bonds (distance) P-C4' energy: -57.979
flat angles C4'-P-C4' energy: -62.445
flat angles P-C4'-P energy: -38.310
tors. eta vs tors. theta energy: -34.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -525.360022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.360022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.360022 (E_RNA)
where:
Base-Base interactions energy: -298.245
where: short stacking energy: -131.372
Base-Backbone interact. energy: 0.290
local terms energy: -227.404853
where:
bonds (distance) C4'-P energy: -58.585
bonds (distance) P-C4' energy: -57.052
flat angles C4'-P-C4' energy: -50.474
flat angles P-C4'-P energy: -41.711
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: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -529.787378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.787378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.787378 (E_RNA)
where:
Base-Base interactions energy: -309.585
where: short stacking energy: -153.185
Base-Backbone interact. energy: -1.283
local terms energy: -218.919114
where:
bonds (distance) C4'-P energy: -57.570
bonds (distance) P-C4' energy: -61.333
flat angles C4'-P-C4' energy: -39.566
flat angles P-C4'-P energy: -40.272
tors. eta vs tors. theta energy: -20.178
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: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -275.891598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.891598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.891598 (E_RNA)
where:
Base-Base interactions energy: -101.408
where: short stacking energy: -86.659
Base-Backbone interact. energy: 2.144
local terms energy: -176.628277
where:
bonds (distance) C4'-P energy: -51.829
bonds (distance) P-C4' energy: -58.965
flat angles C4'-P-C4' energy: -44.749
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: 4.791
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: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1157.783401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.783401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.783401 (E_RNA)
where:
Base-Base interactions energy: -796.052
where: short stacking energy: -342.048
Base-Backbone interact. energy: -1.509
local terms energy: -360.221735
where:
bonds (distance) C4'-P energy: -65.183
bonds (distance) P-C4' energy: -68.216
flat angles C4'-P-C4' energy: -78.388
flat angles P-C4'-P energy: -43.428
tors. eta vs tors. theta energy: -105.005
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: 151
Temperature: 0.950000
Total energy: -1114.472160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.472160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.472160 (E_RNA)
where:
Base-Base interactions energy: -762.899
where: short stacking energy: -296.742
Base-Backbone interact. energy: -1.084
local terms energy: -350.488681
where:
bonds (distance) C4'-P energy: -73.265
bonds (distance) P-C4' energy: -63.968
flat angles C4'-P-C4' energy: -74.524
flat angles P-C4'-P energy: -46.048
tors. eta vs tors. theta energy: -92.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -928.172769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.172769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.172769 (E_RNA)
where:
Base-Base interactions energy: -608.808
where: short stacking energy: -265.912
Base-Backbone interact. energy: 1.324
local terms energy: -320.689008
where:
bonds (distance) C4'-P energy: -61.705
bonds (distance) P-C4' energy: -66.532
flat angles C4'-P-C4' energy: -66.096
flat angles P-C4'-P energy: -47.998
tors. eta vs tors. theta energy: -78.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -906.060223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.060223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.060223 (E_RNA)
where:
Base-Base interactions energy: -577.190
where: short stacking energy: -241.385
Base-Backbone interact. energy: -1.675
local terms energy: -327.195948
where:
bonds (distance) C4'-P energy: -70.127
bonds (distance) P-C4' energy: -58.139
flat angles C4'-P-C4' energy: -68.774
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -76.238
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: 151
Temperature: 1.100000
Total energy: -764.070046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.070046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.070046 (E_RNA)
where:
Base-Base interactions energy: -499.263
where: short stacking energy: -208.998
Base-Backbone interact. energy: -0.551
local terms energy: -264.256159
where:
bonds (distance) C4'-P energy: -64.089
bonds (distance) P-C4' energy: -67.122
flat angles C4'-P-C4' energy: -62.373
flat angles P-C4'-P energy: -29.521
tors. eta vs tors. theta energy: -41.152
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: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -721.008296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.008296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.008296 (E_RNA)
where:
Base-Base interactions energy: -435.345
where: short stacking energy: -186.126
Base-Backbone interact. energy: -2.139
local terms energy: -283.524852
where:
bonds (distance) C4'-P energy: -62.912
bonds (distance) P-C4' energy: -69.943
flat angles C4'-P-C4' energy: -64.391
flat angles P-C4'-P energy: -38.904
tors. eta vs tors. theta energy: -47.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -572.856082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.856082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.856082 (E_RNA)
where:
Base-Base interactions energy: -327.840
where: short stacking energy: -173.423
Base-Backbone interact. energy: -1.293
local terms energy: -244.380592
where:
bonds (distance) C4'-P energy: -54.247
bonds (distance) P-C4' energy: -62.380
flat angles C4'-P-C4' energy: -54.681
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: -37.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.657 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -495.090602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.090602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.090602 (E_RNA)
where:
Base-Base interactions energy: -282.952
where: short stacking energy: -136.702
Base-Backbone interact. energy: -1.800
local terms energy: -210.488452
where:
bonds (distance) C4'-P energy: -60.926
bonds (distance) P-C4' energy: -45.100
flat angles C4'-P-C4' energy: -49.742
flat angles P-C4'-P energy: -36.269
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.150 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -469.798698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.798698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.798698 (E_RNA)
where:
Base-Base interactions energy: -263.811
where: short stacking energy: -120.064
Base-Backbone interact. energy: -0.968
local terms energy: -205.019732
where:
bonds (distance) C4'-P energy: -49.647
bonds (distance) P-C4' energy: -55.096
flat angles C4'-P-C4' energy: -40.910
flat angles P-C4'-P energy: -42.004
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -285.359790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.359790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.359790 (E_RNA)
where:
Base-Base interactions energy: -87.177
where: short stacking energy: -68.464
Base-Backbone interact. energy: -0.140
local terms energy: -198.042673
where:
bonds (distance) C4'-P energy: -62.771
bonds (distance) P-C4' energy: -55.179
flat angles C4'-P-C4' energy: -56.683
flat angles P-C4'-P energy: -39.859
tors. eta vs tors. theta energy: 16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1128.728423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.728423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.728423 (E_RNA)
where:
Base-Base interactions energy: -763.057
where: short stacking energy: -314.351
Base-Backbone interact. energy: -2.771
local terms energy: -362.900111
where:
bonds (distance) C4'-P energy: -70.433
bonds (distance) P-C4' energy: -63.028
flat angles C4'-P-C4' energy: -77.984
flat angles P-C4'-P energy: -42.906
tors. eta vs tors. theta energy: -108.550
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: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1090.155748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.155748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.155748 (E_RNA)
where:
Base-Base interactions energy: -747.739
where: short stacking energy: -300.988
Base-Backbone interact. energy: -0.847
local terms energy: -341.569862
where:
bonds (distance) C4'-P energy: -62.759
bonds (distance) P-C4' energy: -69.217
flat angles C4'-P-C4' energy: -73.576
flat angles P-C4'-P energy: -49.316
tors. eta vs tors. theta energy: -86.701
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: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -958.200632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.200632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.200632 (E_RNA)
where:
Base-Base interactions energy: -624.082
where: short stacking energy: -271.290
Base-Backbone interact. energy: -0.273
local terms energy: -333.846035
where:
bonds (distance) C4'-P energy: -68.580
bonds (distance) P-C4' energy: -67.470
flat angles C4'-P-C4' energy: -71.639
flat angles P-C4'-P energy: -39.025
tors. eta vs tors. theta energy: -87.131
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: 9
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -922.406085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.406085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.406085 (E_RNA)
where:
Base-Base interactions energy: -623.604
where: short stacking energy: -245.332
Base-Backbone interact. energy: -0.089
local terms energy: -298.713365
where:
bonds (distance) C4'-P energy: -49.067
bonds (distance) P-C4' energy: -69.384
flat angles C4'-P-C4' energy: -68.981
flat angles P-C4'-P energy: -44.786
tors. eta vs tors. theta energy: -66.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -832.668606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.668606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.668606 (E_RNA)
where:
Base-Base interactions energy: -545.247
where: short stacking energy: -247.027
Base-Backbone interact. energy: -1.005
local terms energy: -287.236365
where:
bonds (distance) C4'-P energy: -58.447
bonds (distance) P-C4' energy: -60.165
flat angles C4'-P-C4' energy: -74.015
flat angles P-C4'-P energy: -29.624
tors. eta vs tors. theta energy: -64.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.820 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -745.104445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.104445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.104445 (E_RNA)
where:
Base-Base interactions energy: -489.259
where: short stacking energy: -201.424
Base-Backbone interact. energy: 1.670
local terms energy: -257.515662
where:
bonds (distance) C4'-P energy: -43.250
bonds (distance) P-C4' energy: -60.486
flat angles C4'-P-C4' energy: -57.209
flat angles P-C4'-P energy: -50.432
tors. eta vs tors. theta energy: -46.138
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: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -536.887415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.887415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.887415 (E_RNA)
where:
Base-Base interactions energy: -303.560
where: short stacking energy: -160.901
Base-Backbone interact. energy: -1.290
local terms energy: -232.037760
where:
bonds (distance) C4'-P energy: -58.770
bonds (distance) P-C4' energy: -49.013
flat angles C4'-P-C4' energy: -59.881
flat angles P-C4'-P energy: -39.447
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: 8, replica: 1
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -533.678292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.678292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.678292 (E_RNA)
where:
Base-Base interactions energy: -306.871
where: short stacking energy: -145.140
Base-Backbone interact. energy: 2.834
local terms energy: -229.641630
where:
bonds (distance) C4'-P energy: -55.398
bonds (distance) P-C4' energy: -53.271
flat angles C4'-P-C4' energy: -59.054
flat angles P-C4'-P energy: -38.220
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -449.482523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.482523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.482523 (E_RNA)
where:
Base-Base interactions energy: -239.342
where: short stacking energy: -120.388
Base-Backbone interact. energy: -1.738
local terms energy: -208.402655
where:
bonds (distance) C4'-P energy: -61.134
bonds (distance) P-C4' energy: -53.903
flat angles C4'-P-C4' energy: -48.187
flat angles P-C4'-P energy: -32.906
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -271.037833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.037833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.037833 (E_RNA)
where:
Base-Base interactions energy: -87.340
where: short stacking energy: -77.055
Base-Backbone interact. energy: -1.308
local terms energy: -182.390154
where:
bonds (distance) C4'-P energy: -56.991
bonds (distance) P-C4' energy: -62.966
flat angles C4'-P-C4' energy: -42.205
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: 6.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1125.935976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.935976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.935976 (E_RNA)
where:
Base-Base interactions energy: -775.287
where: short stacking energy: -306.746
Base-Backbone interact. energy: -1.752
local terms energy: -348.896424
where:
bonds (distance) C4'-P energy: -63.770
bonds (distance) P-C4' energy: -62.950
flat angles C4'-P-C4' energy: -73.555
flat angles P-C4'-P energy: -53.904
tors. eta vs tors. theta energy: -94.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1105.633865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.633865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.633865 (E_RNA)
where:
Base-Base interactions energy: -749.622
where: short stacking energy: -325.733
Base-Backbone interact. energy: -0.265
local terms energy: -355.747587
where:
bonds (distance) C4'-P energy: -66.226
bonds (distance) P-C4' energy: -62.693
flat angles C4'-P-C4' energy: -80.444
flat angles P-C4'-P energy: -46.328
tors. eta vs tors. theta energy: -100.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -950.464175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.464175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.464175 (E_RNA)
where:
Base-Base interactions energy: -615.753
where: short stacking energy: -278.196
Base-Backbone interact. energy: -0.904
local terms energy: -333.807643
where:
bonds (distance) C4'-P energy: -69.103
bonds (distance) P-C4' energy: -61.972
flat angles C4'-P-C4' energy: -74.031
flat angles P-C4'-P energy: -49.835
tors. eta vs tors. theta energy: -78.866
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: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -870.497741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.497741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.497741 (E_RNA)
where:
Base-Base interactions energy: -579.433
where: short stacking energy: -258.735
Base-Backbone interact. energy: 0.239
local terms energy: -291.304211
where:
bonds (distance) C4'-P energy: -54.589
bonds (distance) P-C4' energy: -67.392
flat angles C4'-P-C4' energy: -66.179
flat angles P-C4'-P energy: -36.683
tors. eta vs tors. theta energy: -66.462
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: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -895.062456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.062456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.062456 (E_RNA)
where:
Base-Base interactions energy: -575.541
where: short stacking energy: -247.594
Base-Backbone interact. energy: -0.741
local terms energy: -318.780452
where:
bonds (distance) C4'-P energy: -63.869
bonds (distance) P-C4' energy: -68.209
flat angles C4'-P-C4' energy: -71.188
flat angles P-C4'-P energy: -40.041
tors. eta vs tors. theta energy: -75.473
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: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -756.452527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.452527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.452527 (E_RNA)
where:
Base-Base interactions energy: -480.634
where: short stacking energy: -212.893
Base-Backbone interact. energy: 1.021
local terms energy: -276.839474
where:
bonds (distance) C4'-P energy: -68.071
bonds (distance) P-C4' energy: -61.364
flat angles C4'-P-C4' energy: -61.258
flat angles P-C4'-P energy: -35.314
tors. eta vs tors. theta energy: -50.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -568.526370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.526370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.526370 (E_RNA)
where:
Base-Base interactions energy: -319.669
where: short stacking energy: -157.908
Base-Backbone interact. energy: -0.644
local terms energy: -248.963227
where:
bonds (distance) C4'-P energy: -64.497
bonds (distance) P-C4' energy: -67.613
flat angles C4'-P-C4' energy: -48.269
flat angles P-C4'-P energy: -43.375
tors. eta vs tors. theta energy: -25.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.751 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -526.122472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.122472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.122472 (E_RNA)
where:
Base-Base interactions energy: -307.193
where: short stacking energy: -126.389
Base-Backbone interact. energy: -1.617
local terms energy: -217.313106
where:
bonds (distance) C4'-P energy: -68.527
bonds (distance) P-C4' energy: -64.272
flat angles C4'-P-C4' energy: -46.391
flat angles P-C4'-P energy: -30.274
tors. eta vs tors. theta energy: -7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -503.067584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.067584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.067584 (E_RNA)
where:
Base-Base interactions energy: -295.725
where: short stacking energy: -150.823
Base-Backbone interact. energy: 0.050
local terms energy: -207.392177
where:
bonds (distance) C4'-P energy: -37.165
bonds (distance) P-C4' energy: -55.316
flat angles C4'-P-C4' energy: -66.441
flat angles P-C4'-P energy: -29.753
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: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -269.679517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.679517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.679517 (E_RNA)
where:
Base-Base interactions energy: -80.583
where: short stacking energy: -63.012
Base-Backbone interact. energy: -0.322
local terms energy: -188.775403
where:
bonds (distance) C4'-P energy: -63.299
bonds (distance) P-C4' energy: -61.369
flat angles C4'-P-C4' energy: -34.807
flat angles P-C4'-P energy: -36.807
tors. eta vs tors. theta energy: 7.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1139.671254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.671254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.671254 (E_RNA)
where:
Base-Base interactions energy: -798.036
where: short stacking energy: -317.637
Base-Backbone interact. energy: -1.337
local terms energy: -340.298198
where:
bonds (distance) C4'-P energy: -48.691
bonds (distance) P-C4' energy: -73.612
flat angles C4'-P-C4' energy: -75.016
flat angles P-C4'-P energy: -48.653
tors. eta vs tors. theta energy: -94.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1085.114496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.114496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.114496 (E_RNA)
where:
Base-Base interactions energy: -731.220
where: short stacking energy: -312.522
Base-Backbone interact. energy: -0.020
local terms energy: -353.874711
where:
bonds (distance) C4'-P energy: -60.124
bonds (distance) P-C4' energy: -71.546
flat angles C4'-P-C4' energy: -69.049
flat angles P-C4'-P energy: -55.071
tors. eta vs tors. theta energy: -98.084
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: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -980.920826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.920826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.920826 (E_RNA)
where:
Base-Base interactions energy: -648.479
where: short stacking energy: -278.508
Base-Backbone interact. energy: -4.151
local terms energy: -328.291591
where:
bonds (distance) C4'-P energy: -62.606
bonds (distance) P-C4' energy: -67.899
flat angles C4'-P-C4' energy: -72.583
flat angles P-C4'-P energy: -46.820
tors. eta vs tors. theta energy: -78.385
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: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -844.678862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.678862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.678862 (E_RNA)
where:
Base-Base interactions energy: -552.029
where: short stacking energy: -221.071
Base-Backbone interact. energy: -1.082
local terms energy: -291.567979
where:
bonds (distance) C4'-P energy: -58.203
bonds (distance) P-C4' energy: -62.134
flat angles C4'-P-C4' energy: -71.626
flat angles P-C4'-P energy: -41.850
tors. eta vs tors. theta energy: -57.755
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: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -869.573525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.573525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.573525 (E_RNA)
where:
Base-Base interactions energy: -568.688
where: short stacking energy: -244.198
Base-Backbone interact. energy: -0.713
local terms energy: -300.173000
where:
bonds (distance) C4'-P energy: -61.542
bonds (distance) P-C4' energy: -71.319
flat angles C4'-P-C4' energy: -59.025
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -69.970
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: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -733.228505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.228505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.228505 (E_RNA)
where:
Base-Base interactions energy: -457.408
where: short stacking energy: -201.408
Base-Backbone interact. energy: 1.829
local terms energy: -277.649564
where:
bonds (distance) C4'-P energy: -53.543
bonds (distance) P-C4' energy: -62.526
flat angles C4'-P-C4' energy: -70.713
flat angles P-C4'-P energy: -43.589
tors. eta vs tors. theta energy: -47.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -573.172822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.172822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.172822 (E_RNA)
where:
Base-Base interactions energy: -338.123
where: short stacking energy: -156.206
Base-Backbone interact. energy: -2.095
local terms energy: -232.954435
where:
bonds (distance) C4'-P energy: -59.236
bonds (distance) P-C4' energy: -61.826
flat angles C4'-P-C4' energy: -62.194
flat angles P-C4'-P energy: -29.319
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -539.003442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.003442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.003442 (E_RNA)
where:
Base-Base interactions energy: -316.626
where: short stacking energy: -158.707
Base-Backbone interact. energy: 3.481
local terms energy: -225.858097
where:
bonds (distance) C4'-P energy: -66.020
bonds (distance) P-C4' energy: -53.542
flat angles C4'-P-C4' energy: -42.309
flat angles P-C4'-P energy: -28.521
tors. eta vs tors. theta energy: -35.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -492.521370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.521370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.521370 (E_RNA)
where:
Base-Base interactions energy: -283.204
where: short stacking energy: -127.665
Base-Backbone interact. energy: 3.504
local terms energy: -212.821050
where:
bonds (distance) C4'-P energy: -55.075
bonds (distance) P-C4' energy: -51.549
flat angles C4'-P-C4' energy: -65.814
flat angles P-C4'-P energy: -22.036
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -273.379099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.379099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.379099 (E_RNA)
where:
Base-Base interactions energy: -84.994
where: short stacking energy: -69.884
Base-Backbone interact. energy: 0.094
local terms energy: -188.478618
where:
bonds (distance) C4'-P energy: -48.479
bonds (distance) P-C4' energy: -65.869
flat angles C4'-P-C4' energy: -52.656
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: 8.214
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: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1147.270925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.270925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.270925 (E_RNA)
where:
Base-Base interactions energy: -805.375
where: short stacking energy: -321.274
Base-Backbone interact. energy: -2.282
local terms energy: -339.614160
where:
bonds (distance) C4'-P energy: -69.067
bonds (distance) P-C4' energy: -68.004
flat angles C4'-P-C4' energy: -63.639
flat angles P-C4'-P energy: -36.682
tors. eta vs tors. theta energy: -102.223
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: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1103.428616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.428616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.428616 (E_RNA)
where:
Base-Base interactions energy: -737.159
where: short stacking energy: -321.156
Base-Backbone interact. energy: -0.371
local terms energy: -365.897942
where:
bonds (distance) C4'-P energy: -73.860
bonds (distance) P-C4' energy: -72.984
flat angles C4'-P-C4' energy: -75.116
flat angles P-C4'-P energy: -43.168
tors. eta vs tors. theta energy: -100.770
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: 155
Temperature: 1.000000
Total energy: -971.930914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.930914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.930914 (E_RNA)
where:
Base-Base interactions energy: -655.288
where: short stacking energy: -277.227
Base-Backbone interact. energy: -1.363
local terms energy: -315.280567
where:
bonds (distance) C4'-P energy: -63.878
bonds (distance) P-C4' energy: -57.490
flat angles C4'-P-C4' energy: -67.443
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -83.399
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: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -823.301995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.301995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.301995 (E_RNA)
where:
Base-Base interactions energy: -518.922
where: short stacking energy: -229.201
Base-Backbone interact. energy: -0.513
local terms energy: -303.866904
where:
bonds (distance) C4'-P energy: -55.343
bonds (distance) P-C4' energy: -73.951
flat angles C4'-P-C4' energy: -66.689
flat angles P-C4'-P energy: -37.413
tors. eta vs tors. theta energy: -70.471
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: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -825.497992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.497992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.497992 (E_RNA)
where:
Base-Base interactions energy: -530.449
where: short stacking energy: -232.811
Base-Backbone interact. energy: -1.872
local terms energy: -293.176862
where:
bonds (distance) C4'-P energy: -67.722
bonds (distance) P-C4' energy: -59.559
flat angles C4'-P-C4' energy: -72.417
flat angles P-C4'-P energy: -33.994
tors. eta vs tors. theta energy: -59.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -742.383791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.383791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.383791 (E_RNA)
where:
Base-Base interactions energy: -481.948
where: short stacking energy: -203.080
Base-Backbone interact. energy: -1.069
local terms energy: -259.394689
where:
bonds (distance) C4'-P energy: -64.659
bonds (distance) P-C4' energy: -62.196
flat angles C4'-P-C4' energy: -51.001
flat angles P-C4'-P energy: -32.365
tors. eta vs tors. theta energy: -49.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.027 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -609.428005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.428005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.428005 (E_RNA)
where:
Base-Base interactions energy: -362.113
where: short stacking energy: -159.067
Base-Backbone interact. energy: -2.970
local terms energy: -244.345760
where:
bonds (distance) C4'-P energy: -56.541
bonds (distance) P-C4' energy: -56.919
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -41.185
tors. eta vs tors. theta energy: -31.084
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: 8, replica: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -581.100821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.100821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.100821 (E_RNA)
where:
Base-Base interactions energy: -342.885
where: short stacking energy: -165.874
Base-Backbone interact. energy: 0.483
local terms energy: -238.698938
where:
bonds (distance) C4'-P energy: -57.294
bonds (distance) P-C4' energy: -64.132
flat angles C4'-P-C4' energy: -61.402
flat angles P-C4'-P energy: -33.675
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -501.209922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.209922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.209922 (E_RNA)
where:
Base-Base interactions energy: -271.840
where: short stacking energy: -133.639
Base-Backbone interact. energy: 1.203
local terms energy: -230.572581
where:
bonds (distance) C4'-P energy: -49.507
bonds (distance) P-C4' energy: -63.360
flat angles C4'-P-C4' energy: -58.822
flat angles P-C4'-P energy: -35.693
tors. eta vs tors. theta energy: -23.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -300.061734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.061734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.061734 (E_RNA)
where:
Base-Base interactions energy: -104.463
where: short stacking energy: -80.011
Base-Backbone interact. energy: 0.079
local terms energy: -195.677804
where:
bonds (distance) C4'-P energy: -54.417
bonds (distance) P-C4' energy: -53.019
flat angles C4'-P-C4' energy: -54.452
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: 1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1150.858344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.858344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.858344 (E_RNA)
where:
Base-Base interactions energy: -798.873
where: short stacking energy: -312.708
Base-Backbone interact. energy: -1.402
local terms energy: -350.583398
where:
bonds (distance) C4'-P energy: -65.829
bonds (distance) P-C4' energy: -66.075
flat angles C4'-P-C4' energy: -79.747
flat angles P-C4'-P energy: -36.445
tors. eta vs tors. theta energy: -102.487
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: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1095.682165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.682165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.682165 (E_RNA)
where:
Base-Base interactions energy: -742.573
where: short stacking energy: -307.324
Base-Backbone interact. energy: -0.436
local terms energy: -352.674115
where:
bonds (distance) C4'-P energy: -54.319
bonds (distance) P-C4' energy: -74.465
flat angles C4'-P-C4' energy: -66.524
flat angles P-C4'-P energy: -55.941
tors. eta vs tors. theta energy: -101.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -966.279258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.279258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.279258 (E_RNA)
where:
Base-Base interactions energy: -637.579
where: short stacking energy: -288.862
Base-Backbone interact. energy: -0.315
local terms energy: -328.384528
where:
bonds (distance) C4'-P energy: -66.831
bonds (distance) P-C4' energy: -65.538
flat angles C4'-P-C4' energy: -64.359
flat angles P-C4'-P energy: -41.544
tors. eta vs tors. theta energy: -90.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -815.944351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.944351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.944351 (E_RNA)
where:
Base-Base interactions energy: -501.679
where: short stacking energy: -239.239
Base-Backbone interact. energy: -1.415
local terms energy: -312.850569
where:
bonds (distance) C4'-P energy: -57.409
bonds (distance) P-C4' energy: -69.121
flat angles C4'-P-C4' energy: -72.053
flat angles P-C4'-P energy: -55.092
tors. eta vs tors. theta energy: -59.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -769.899481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.899481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.899481 (E_RNA)
where:
Base-Base interactions energy: -494.497
where: short stacking energy: -211.971
Base-Backbone interact. energy: 2.153
local terms energy: -277.555897
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -60.317
flat angles C4'-P-C4' energy: -53.954
flat angles P-C4'-P energy: -51.146
tors. eta vs tors. theta energy: -51.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -767.755569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.755569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.755569 (E_RNA)
where:
Base-Base interactions energy: -491.710
where: short stacking energy: -208.387
Base-Backbone interact. energy: 0.299
local terms energy: -276.344789
where:
bonds (distance) C4'-P energy: -62.556
bonds (distance) P-C4' energy: -65.635
flat angles C4'-P-C4' energy: -59.201
flat angles P-C4'-P energy: -32.687
tors. eta vs tors. theta energy: -56.265
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: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -604.365452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.365452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.365452 (E_RNA)
where:
Base-Base interactions energy: -345.407
where: short stacking energy: -167.461
Base-Backbone interact. energy: -2.049
local terms energy: -256.909805
where:
bonds (distance) C4'-P energy: -63.710
bonds (distance) P-C4' energy: -61.951
flat angles C4'-P-C4' energy: -60.305
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: -41.107
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: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -543.240712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.240712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.240712 (E_RNA)
where:
Base-Base interactions energy: -322.420
where: short stacking energy: -154.815
Base-Backbone interact. energy: 0.128
local terms energy: -221.384020
where:
bonds (distance) C4'-P energy: -62.805
bonds (distance) P-C4' energy: -51.743
flat angles C4'-P-C4' energy: -49.439
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -29.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.435 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -534.467024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.467024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.467024 (E_RNA)
where:
Base-Base interactions energy: -329.303
where: short stacking energy: -153.931
Base-Backbone interact. energy: 0.695
local terms energy: -205.858849
where:
bonds (distance) C4'-P energy: -50.834
bonds (distance) P-C4' energy: -52.735
flat angles C4'-P-C4' energy: -38.640
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -37.489
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: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -258.024986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.024986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.024986 (E_RNA)
where:
Base-Base interactions energy: -77.919
where: short stacking energy: -66.807
Base-Backbone interact. energy: 4.434
local terms energy: -184.540116
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -65.143
flat angles C4'-P-C4' energy: -63.294
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: 13.741
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: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1169.048839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.048839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.048839 (E_RNA)
where:
Base-Base interactions energy: -795.504
where: short stacking energy: -310.908
Base-Backbone interact. energy: 0.080
local terms energy: -373.625301
where:
bonds (distance) C4'-P energy: -64.682
bonds (distance) P-C4' energy: -75.295
flat angles C4'-P-C4' energy: -75.994
flat angles P-C4'-P energy: -51.657
tors. eta vs tors. theta energy: -105.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1084.848434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.848434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.848434 (E_RNA)
where:
Base-Base interactions energy: -738.572
where: short stacking energy: -310.246
Base-Backbone interact. energy: -1.125
local terms energy: -345.151250
where:
bonds (distance) C4'-P energy: -59.348
bonds (distance) P-C4' energy: -65.874
flat angles C4'-P-C4' energy: -70.042
flat angles P-C4'-P energy: -53.445
tors. eta vs tors. theta energy: -96.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -956.010159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.010159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.010159 (E_RNA)
where:
Base-Base interactions energy: -640.974
where: short stacking energy: -279.454
Base-Backbone interact. energy: -0.977
local terms energy: -314.058725
where:
bonds (distance) C4'-P energy: -62.730
bonds (distance) P-C4' energy: -69.881
flat angles C4'-P-C4' energy: -68.863
flat angles P-C4'-P energy: -26.083
tors. eta vs tors. theta energy: -86.502
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: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -779.817140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.817140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.817140 (E_RNA)
where:
Base-Base interactions energy: -530.708
where: short stacking energy: -224.900
Base-Backbone interact. energy: -0.621
local terms energy: -248.488861
where:
bonds (distance) C4'-P energy: -57.337
bonds (distance) P-C4' energy: -59.097
flat angles C4'-P-C4' energy: -52.723
flat angles P-C4'-P energy: -35.374
tors. eta vs tors. theta energy: -43.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -753.697161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.697161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.697161 (E_RNA)
where:
Base-Base interactions energy: -494.416
where: short stacking energy: -215.234
Base-Backbone interact. energy: -0.141
local terms energy: -259.140019
where:
bonds (distance) C4'-P energy: -64.420
bonds (distance) P-C4' energy: -51.761
flat angles C4'-P-C4' energy: -61.692
flat angles P-C4'-P energy: -28.256
tors. eta vs tors. theta energy: -53.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -774.930252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.930252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.930252 (E_RNA)
where:
Base-Base interactions energy: -486.325
where: short stacking energy: -219.318
Base-Backbone interact. energy: -0.613
local terms energy: -287.992097
where:
bonds (distance) C4'-P energy: -48.917
bonds (distance) P-C4' energy: -71.147
flat angles C4'-P-C4' energy: -61.501
flat angles P-C4'-P energy: -42.011
tors. eta vs tors. theta energy: -64.417
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: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -575.972966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.972966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.972966 (E_RNA)
where:
Base-Base interactions energy: -343.518
where: short stacking energy: -175.186
Base-Backbone interact. energy: -1.936
local terms energy: -230.519490
where:
bonds (distance) C4'-P energy: -47.373
bonds (distance) P-C4' energy: -47.379
flat angles C4'-P-C4' energy: -60.864
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: -39.154
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: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -529.222166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.222166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.222166 (E_RNA)
where:
Base-Base interactions energy: -299.541
where: short stacking energy: -160.427
Base-Backbone interact. energy: 0.411
local terms energy: -230.091959
where:
bonds (distance) C4'-P energy: -43.628
bonds (distance) P-C4' energy: -62.862
flat angles C4'-P-C4' energy: -54.582
flat angles P-C4'-P energy: -34.600
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: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -487.363087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.363087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.363087 (E_RNA)
where:
Base-Base interactions energy: -283.244
where: short stacking energy: -133.122
Base-Backbone interact. energy: 3.122
local terms energy: -207.240949
where:
bonds (distance) C4'-P energy: -45.778
bonds (distance) P-C4' energy: -55.995
flat angles C4'-P-C4' energy: -50.366
flat angles P-C4'-P energy: -34.858
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -284.031752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.031752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.031752 (E_RNA)
where:
Base-Base interactions energy: -102.459
where: short stacking energy: -90.393
Base-Backbone interact. energy: 4.919
local terms energy: -186.491308
where:
bonds (distance) C4'-P energy: -52.311
bonds (distance) P-C4' energy: -62.183
flat angles C4'-P-C4' energy: -59.999
flat angles P-C4'-P energy: -26.259
tors. eta vs tors. theta energy: 14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1146.745643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.745643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.745643 (E_RNA)
where:
Base-Base interactions energy: -775.397
where: short stacking energy: -332.796
Base-Backbone interact. energy: -1.718
local terms energy: -369.630619
where:
bonds (distance) C4'-P energy: -69.037
bonds (distance) P-C4' energy: -73.366
flat angles C4'-P-C4' energy: -74.039
flat angles P-C4'-P energy: -46.830
tors. eta vs tors. theta energy: -106.359
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: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1088.871456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.871456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.871456 (E_RNA)
where:
Base-Base interactions energy: -740.435
where: short stacking energy: -282.843
Base-Backbone interact. energy: 2.975
local terms energy: -351.411386
where:
bonds (distance) C4'-P energy: -66.604
bonds (distance) P-C4' energy: -68.673
flat angles C4'-P-C4' energy: -73.118
flat angles P-C4'-P energy: -52.020
tors. eta vs tors. theta energy: -90.996
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: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -943.313851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.313851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.313851 (E_RNA)
where:
Base-Base interactions energy: -618.446
where: short stacking energy: -283.896
Base-Backbone interact. energy: -0.439
local terms energy: -324.428901
where:
bonds (distance) C4'-P energy: -62.696
bonds (distance) P-C4' energy: -59.662
flat angles C4'-P-C4' energy: -69.791
flat angles P-C4'-P energy: -47.386
tors. eta vs tors. theta energy: -84.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -829.847303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.847303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.847303 (E_RNA)
where:
Base-Base interactions energy: -521.674
where: short stacking energy: -236.439
Base-Backbone interact. energy: -0.472
local terms energy: -307.701462
where:
bonds (distance) C4'-P energy: -66.912
bonds (distance) P-C4' energy: -66.431
flat angles C4'-P-C4' energy: -64.549
flat angles P-C4'-P energy: -45.044
tors. eta vs tors. theta energy: -64.764
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: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -756.970090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.970090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.970090 (E_RNA)
where:
Base-Base interactions energy: -477.879
where: short stacking energy: -216.621
Base-Backbone interact. energy: -0.614
local terms energy: -278.477481
where:
bonds (distance) C4'-P energy: -58.559
bonds (distance) P-C4' energy: -61.443
flat angles C4'-P-C4' energy: -67.652
flat angles P-C4'-P energy: -36.112
tors. eta vs tors. theta energy: -54.711
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: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -768.546239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.546239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.546239 (E_RNA)
where:
Base-Base interactions energy: -491.943
where: short stacking energy: -233.242
Base-Backbone interact. energy: 0.123
local terms energy: -276.726525
where:
bonds (distance) C4'-P energy: -54.151
bonds (distance) P-C4' energy: -59.050
flat angles C4'-P-C4' energy: -63.712
flat angles P-C4'-P energy: -37.632
tors. eta vs tors. theta energy: -62.182
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: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -570.741092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.741092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.741092 (E_RNA)
where:
Base-Base interactions energy: -363.617
where: short stacking energy: -166.249
Base-Backbone interact. energy: -1.001
local terms energy: -206.123139
where:
bonds (distance) C4'-P energy: -51.340
bonds (distance) P-C4' energy: -49.838
flat angles C4'-P-C4' energy: -55.808
flat angles P-C4'-P energy: -30.916
tors. eta vs tors. theta energy: -18.221
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: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -542.259938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.259938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.259938 (E_RNA)
where:
Base-Base interactions energy: -331.305
where: short stacking energy: -151.391
Base-Backbone interact. energy: -0.668
local terms energy: -210.287047
where:
bonds (distance) C4'-P energy: -59.284
bonds (distance) P-C4' energy: -45.932
flat angles C4'-P-C4' energy: -51.593
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -25.846
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: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -501.171568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.171568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.171568 (E_RNA)
where:
Base-Base interactions energy: -298.211
where: short stacking energy: -157.903
Base-Backbone interact. energy: 0.958
local terms energy: -203.918259
where:
bonds (distance) C4'-P energy: -39.476
bonds (distance) P-C4' energy: -52.280
flat angles C4'-P-C4' energy: -57.082
flat angles P-C4'-P energy: -29.626
tors. eta vs tors. theta energy: -25.454
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: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -300.479444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.479444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.479444 (E_RNA)
where:
Base-Base interactions energy: -119.492
where: short stacking energy: -94.582
Base-Backbone interact. energy: -1.615
local terms energy: -179.372077
where:
bonds (distance) C4'-P energy: -44.610
bonds (distance) P-C4' energy: -64.927
flat angles C4'-P-C4' energy: -45.125
flat angles P-C4'-P energy: -23.155
tors. eta vs tors. theta energy: -1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1150.766425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.766425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.766425 (E_RNA)
where:
Base-Base interactions energy: -789.682
where: short stacking energy: -321.476
Base-Backbone interact. energy: -2.598
local terms energy: -358.486999
where:
bonds (distance) C4'-P energy: -66.889
bonds (distance) P-C4' energy: -57.389
flat angles C4'-P-C4' energy: -77.968
flat angles P-C4'-P energy: -52.696
tors. eta vs tors. theta energy: -103.545
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: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1115.195992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.195992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.195992 (E_RNA)
where:
Base-Base interactions energy: -762.002
where: short stacking energy: -307.969
Base-Backbone interact. energy: -0.821
local terms energy: -352.372167
where:
bonds (distance) C4'-P energy: -61.033
bonds (distance) P-C4' energy: -69.324
flat angles C4'-P-C4' energy: -74.130
flat angles P-C4'-P energy: -48.183
tors. eta vs tors. theta energy: -99.702
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: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -946.527910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.527910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.527910 (E_RNA)
where:
Base-Base interactions energy: -641.320
where: short stacking energy: -282.946
Base-Backbone interact. energy: -1.521
local terms energy: -303.686878
where:
bonds (distance) C4'-P energy: -52.312
bonds (distance) P-C4' energy: -50.553
flat angles C4'-P-C4' energy: -66.886
flat angles P-C4'-P energy: -50.661
tors. eta vs tors. theta energy: -83.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -861.305096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.305096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.305096 (E_RNA)
where:
Base-Base interactions energy: -557.418
where: short stacking energy: -261.010
Base-Backbone interact. energy: -1.604
local terms energy: -302.283781
where:
bonds (distance) C4'-P energy: -61.367
bonds (distance) P-C4' energy: -66.430
flat angles C4'-P-C4' energy: -64.955
flat angles P-C4'-P energy: -43.047
tors. eta vs tors. theta energy: -66.485
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: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -718.935026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.935026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.935026 (E_RNA)
where:
Base-Base interactions energy: -462.703
where: short stacking energy: -201.767
Base-Backbone interact. energy: -1.522
local terms energy: -254.710002
where:
bonds (distance) C4'-P energy: -44.695
bonds (distance) P-C4' energy: -69.981
flat angles C4'-P-C4' energy: -50.235
flat angles P-C4'-P energy: -38.445
tors. eta vs tors. theta energy: -51.353
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: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -777.196574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.196574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.196574 (E_RNA)
where:
Base-Base interactions energy: -519.125
where: short stacking energy: -211.424
Base-Backbone interact. energy: -2.410
local terms energy: -255.662144
where:
bonds (distance) C4'-P energy: -52.511
bonds (distance) P-C4' energy: -50.122
flat angles C4'-P-C4' energy: -67.132
flat angles P-C4'-P energy: -33.001
tors. eta vs tors. theta energy: -52.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -603.750542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.750542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.750542 (E_RNA)
where:
Base-Base interactions energy: -344.926
where: short stacking energy: -157.300
Base-Backbone interact. energy: 0.342
local terms energy: -259.166990
where:
bonds (distance) C4'-P energy: -57.884
bonds (distance) P-C4' energy: -59.284
flat angles C4'-P-C4' energy: -63.443
flat angles P-C4'-P energy: -46.969
tors. eta vs tors. theta energy: -31.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -535.179882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.179882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.179882 (E_RNA)
where:
Base-Base interactions energy: -301.248
where: short stacking energy: -129.381
Base-Backbone interact. energy: 0.680
local terms energy: -234.611407
where:
bonds (distance) C4'-P energy: -56.849
bonds (distance) P-C4' energy: -59.738
flat angles C4'-P-C4' energy: -49.210
flat angles P-C4'-P energy: -49.821
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -473.835283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.835283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.835283 (E_RNA)
where:
Base-Base interactions energy: -257.179
where: short stacking energy: -120.817
Base-Backbone interact. energy: -0.317
local terms energy: -216.339755
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -57.459
flat angles C4'-P-C4' energy: -61.582
flat angles P-C4'-P energy: -42.686
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -265.392215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.392215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.392215 (E_RNA)
where:
Base-Base interactions energy: -87.847
where: short stacking energy: -85.484
Base-Backbone interact. energy: 8.934
local terms energy: -186.479582
where:
bonds (distance) C4'-P energy: -62.746
bonds (distance) P-C4' energy: -67.031
flat angles C4'-P-C4' energy: -49.734
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: 12.752
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: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1144.656191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.656191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.656191 (E_RNA)
where:
Base-Base interactions energy: -765.701
where: short stacking energy: -314.282
Base-Backbone interact. energy: -1.726
local terms energy: -377.230018
where:
bonds (distance) C4'-P energy: -73.975
bonds (distance) P-C4' energy: -65.192
flat angles C4'-P-C4' energy: -82.344
flat angles P-C4'-P energy: -50.197
tors. eta vs tors. theta energy: -105.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1108.658355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.658355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.658355 (E_RNA)
where:
Base-Base interactions energy: -747.860
where: short stacking energy: -309.547
Base-Backbone interact. energy: -1.178
local terms energy: -359.619563
where:
bonds (distance) C4'-P energy: -64.209
bonds (distance) P-C4' energy: -70.395
flat angles C4'-P-C4' energy: -75.992
flat angles P-C4'-P energy: -51.671
tors. eta vs tors. theta energy: -97.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -947.857762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.857762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.857762 (E_RNA)
where:
Base-Base interactions energy: -621.501
where: short stacking energy: -269.017
Base-Backbone interact. energy: -1.179
local terms energy: -325.177842
where:
bonds (distance) C4'-P energy: -70.843
bonds (distance) P-C4' energy: -72.128
flat angles C4'-P-C4' energy: -58.920
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -80.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -816.339395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.339395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.339395 (E_RNA)
where:
Base-Base interactions energy: -528.780
where: short stacking energy: -244.672
Base-Backbone interact. energy: -0.726
local terms energy: -286.833289
where:
bonds (distance) C4'-P energy: -52.562
bonds (distance) P-C4' energy: -62.462
flat angles C4'-P-C4' energy: -67.555
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: -61.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -792.783079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.783079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.783079 (E_RNA)
where:
Base-Base interactions energy: -508.077
where: short stacking energy: -213.202
Base-Backbone interact. energy: -0.021
local terms energy: -284.685751
where:
bonds (distance) C4'-P energy: -62.210
bonds (distance) P-C4' energy: -52.525
flat angles C4'-P-C4' energy: -70.552
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: -58.773
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: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -684.706581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.706581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.706581 (E_RNA)
where:
Base-Base interactions energy: -410.280
where: short stacking energy: -209.118
Base-Backbone interact. energy: -0.031
local terms energy: -274.394989
where:
bonds (distance) C4'-P energy: -67.238
bonds (distance) P-C4' energy: -62.707
flat angles C4'-P-C4' energy: -55.695
flat angles P-C4'-P energy: -36.732
tors. eta vs tors. theta energy: -52.022
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: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -569.380202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.380202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.380202 (E_RNA)
where:
Base-Base interactions energy: -314.710
where: short stacking energy: -157.632
Base-Backbone interact. energy: -2.458
local terms energy: -252.374990
where:
bonds (distance) C4'-P energy: -62.274
bonds (distance) P-C4' energy: -64.590
flat angles C4'-P-C4' energy: -59.051
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -28.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.163 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -534.368020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.368020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.368020 (E_RNA)
where:
Base-Base interactions energy: -311.704
where: short stacking energy: -150.022
Base-Backbone interact. energy: 1.214
local terms energy: -223.878467
where:
bonds (distance) C4'-P energy: -52.423
bonds (distance) P-C4' energy: -58.596
flat angles C4'-P-C4' energy: -57.129
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -26.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -453.015316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.015316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.015316 (E_RNA)
where:
Base-Base interactions energy: -228.486
where: short stacking energy: -125.120
Base-Backbone interact. energy: 0.293
local terms energy: -224.822328
where:
bonds (distance) C4'-P energy: -66.309
bonds (distance) P-C4' energy: -54.373
flat angles C4'-P-C4' energy: -56.864
flat angles P-C4'-P energy: -25.762
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: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -250.052822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.052822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.052822 (E_RNA)
where:
Base-Base interactions energy: -75.634
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.927
local terms energy: -173.492530
where:
bonds (distance) C4'-P energy: -61.599
bonds (distance) P-C4' energy: -52.636
flat angles C4'-P-C4' energy: -40.164
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: 8.108
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: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1149.393686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.393686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.393686 (E_RNA)
where:
Base-Base interactions energy: -779.009
where: short stacking energy: -335.769
Base-Backbone interact. energy: -0.236
local terms energy: -370.148836
where:
bonds (distance) C4'-P energy: -72.622
bonds (distance) P-C4' energy: -70.616
flat angles C4'-P-C4' energy: -73.774
flat angles P-C4'-P energy: -45.652
tors. eta vs tors. theta energy: -107.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1120.559123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.559123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.559123 (E_RNA)
where:
Base-Base interactions energy: -770.516
where: short stacking energy: -314.435
Base-Backbone interact. energy: -2.395
local terms energy: -347.648977
where:
bonds (distance) C4'-P energy: -57.060
bonds (distance) P-C4' energy: -66.621
flat angles C4'-P-C4' energy: -72.746
flat angles P-C4'-P energy: -50.484
tors. eta vs tors. theta energy: -100.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -946.779796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.779796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.779796 (E_RNA)
where:
Base-Base interactions energy: -632.972
where: short stacking energy: -271.625
Base-Backbone interact. energy: -1.158
local terms energy: -312.650060
where:
bonds (distance) C4'-P energy: -58.392
bonds (distance) P-C4' energy: -65.935
flat angles C4'-P-C4' energy: -65.444
flat angles P-C4'-P energy: -47.781
tors. eta vs tors. theta energy: -75.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -823.681070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.681070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.681070 (E_RNA)
where:
Base-Base interactions energy: -524.303
where: short stacking energy: -216.833
Base-Backbone interact. energy: -0.242
local terms energy: -299.136405
where:
bonds (distance) C4'-P energy: -63.325
bonds (distance) P-C4' energy: -70.780
flat angles C4'-P-C4' energy: -67.882
flat angles P-C4'-P energy: -38.187
tors. eta vs tors. theta energy: -58.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -762.934744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.934744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.934744 (E_RNA)
where:
Base-Base interactions energy: -483.647
where: short stacking energy: -217.874
Base-Backbone interact. energy: -1.498
local terms energy: -277.789669
where:
bonds (distance) C4'-P energy: -63.564
bonds (distance) P-C4' energy: -60.692
flat angles C4'-P-C4' energy: -67.222
flat angles P-C4'-P energy: -40.212
tors. eta vs tors. theta energy: -46.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -732.578885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.578885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.578885 (E_RNA)
where:
Base-Base interactions energy: -449.165
where: short stacking energy: -196.030
Base-Backbone interact. energy: -0.636
local terms energy: -282.777722
where:
bonds (distance) C4'-P energy: -75.106
bonds (distance) P-C4' energy: -61.114
flat angles C4'-P-C4' energy: -68.849
flat angles P-C4'-P energy: -29.974
tors. eta vs tors. theta energy: -47.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -566.473193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.473193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.473193 (E_RNA)
where:
Base-Base interactions energy: -338.673
where: short stacking energy: -173.610
Base-Backbone interact. energy: -0.919
local terms energy: -226.881103
where:
bonds (distance) C4'-P energy: -63.193
bonds (distance) P-C4' energy: -59.284
flat angles C4'-P-C4' energy: -53.371
flat angles P-C4'-P energy: -23.672
tors. eta vs tors. theta energy: -27.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -522.812117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.812117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.812117 (E_RNA)
where:
Base-Base interactions energy: -308.094
where: short stacking energy: -145.130
Base-Backbone interact. energy: 0.177
local terms energy: -214.894792
where:
bonds (distance) C4'-P energy: -56.613
bonds (distance) P-C4' energy: -56.876
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -28.510
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: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -423.625547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.625547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.625547 (E_RNA)
where:
Base-Base interactions energy: -230.324
where: short stacking energy: -128.588
Base-Backbone interact. energy: -2.084
local terms energy: -191.217373
where:
bonds (distance) C4'-P energy: -52.613
bonds (distance) P-C4' energy: -47.600
flat angles C4'-P-C4' energy: -58.618
flat angles P-C4'-P energy: -27.212
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: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -273.829553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.829553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.829553 (E_RNA)
where:
Base-Base interactions energy: -80.255
where: short stacking energy: -78.193
Base-Backbone interact. energy: -0.761
local terms energy: -192.813553
where:
bonds (distance) C4'-P energy: -48.052
bonds (distance) P-C4' energy: -61.873
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -23.972
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: 162
Temperature: 0.900000
Total energy: -1161.523940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.523940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.523940 (E_RNA)
where:
Base-Base interactions energy: -799.081
where: short stacking energy: -311.092
Base-Backbone interact. energy: -2.959
local terms energy: -359.484267
where:
bonds (distance) C4'-P energy: -65.189
bonds (distance) P-C4' energy: -72.521
flat angles C4'-P-C4' energy: -69.833
flat angles P-C4'-P energy: -49.714
tors. eta vs tors. theta energy: -102.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1117.370030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.370030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.370030 (E_RNA)
where:
Base-Base interactions energy: -773.647
where: short stacking energy: -327.108
Base-Backbone interact. energy: 0.275
local terms energy: -343.997450
where:
bonds (distance) C4'-P energy: -57.003
bonds (distance) P-C4' energy: -58.944
flat angles C4'-P-C4' energy: -76.567
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -105.113
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: 6
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -958.837028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.837028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.837028 (E_RNA)
where:
Base-Base interactions energy: -639.128
where: short stacking energy: -278.231
Base-Backbone interact. energy: -0.799
local terms energy: -318.909611
where:
bonds (distance) C4'-P energy: -58.594
bonds (distance) P-C4' energy: -68.692
flat angles C4'-P-C4' energy: -67.871
flat angles P-C4'-P energy: -40.753
tors. eta vs tors. theta energy: -83.001
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: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -812.153181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.153181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.153181 (E_RNA)
where:
Base-Base interactions energy: -535.063
where: short stacking energy: -226.698
Base-Backbone interact. energy: 0.617
local terms energy: -277.706488
where:
bonds (distance) C4'-P energy: -50.641
bonds (distance) P-C4' energy: -64.187
flat angles C4'-P-C4' energy: -63.542
flat angles P-C4'-P energy: -35.242
tors. eta vs tors. theta energy: -64.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -797.774987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.774987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.774987 (E_RNA)
where:
Base-Base interactions energy: -512.585
where: short stacking energy: -244.648
Base-Backbone interact. energy: -0.187
local terms energy: -285.002492
where:
bonds (distance) C4'-P energy: -56.156
bonds (distance) P-C4' energy: -66.741
flat angles C4'-P-C4' energy: -65.373
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -60.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -793.023594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.023594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.023594 (E_RNA)
where:
Base-Base interactions energy: -493.570
where: short stacking energy: -213.443
Base-Backbone interact. energy: 0.767
local terms energy: -300.220788
where:
bonds (distance) C4'-P energy: -63.525
bonds (distance) P-C4' energy: -64.296
flat angles C4'-P-C4' energy: -71.107
flat angles P-C4'-P energy: -42.793
tors. eta vs tors. theta energy: -58.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -550.616186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.616186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.616186 (E_RNA)
where:
Base-Base interactions energy: -329.501
where: short stacking energy: -168.125
Base-Backbone interact. energy: 0.105
local terms energy: -221.220349
where:
bonds (distance) C4'-P energy: -59.219
bonds (distance) P-C4' energy: -56.719
flat angles C4'-P-C4' energy: -43.116
flat angles P-C4'-P energy: -37.370
tors. eta vs tors. theta energy: -24.797
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: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -590.087093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.087093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.087093 (E_RNA)
where:
Base-Base interactions energy: -352.087
where: short stacking energy: -172.978
Base-Backbone interact. energy: 1.101
local terms energy: -239.101937
where:
bonds (distance) C4'-P energy: -48.625
bonds (distance) P-C4' energy: -52.791
flat angles C4'-P-C4' energy: -63.399
flat angles P-C4'-P energy: -45.344
tors. eta vs tors. theta energy: -28.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -454.356468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.356468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.356468 (E_RNA)
where:
Base-Base interactions energy: -231.336
where: short stacking energy: -114.593
Base-Backbone interact. energy: 0.334
local terms energy: -223.354405
where:
bonds (distance) C4'-P energy: -54.805
bonds (distance) P-C4' energy: -60.026
flat angles C4'-P-C4' energy: -61.778
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -288.451372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.451372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.451372 (E_RNA)
where:
Base-Base interactions energy: -121.936
where: short stacking energy: -77.634
Base-Backbone interact. energy: -0.360
local terms energy: -166.155464
where:
bonds (distance) C4'-P energy: -51.047
bonds (distance) P-C4' energy: -59.088
flat angles C4'-P-C4' energy: -46.266
flat angles P-C4'-P energy: -24.355
tors. eta vs tors. theta energy: 14.602
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: 163
Temperature: 0.900000
Total energy: -1153.825011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.825011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.825011 (E_RNA)
where:
Base-Base interactions energy: -798.035
where: short stacking energy: -325.425
Base-Backbone interact. energy: -3.676
local terms energy: -352.114522
where:
bonds (distance) C4'-P energy: -61.076
bonds (distance) P-C4' energy: -64.607
flat angles C4'-P-C4' energy: -72.256
flat angles P-C4'-P energy: -48.940
tors. eta vs tors. theta energy: -105.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1110.414491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.414491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.414491 (E_RNA)
where:
Base-Base interactions energy: -754.606
where: short stacking energy: -316.407
Base-Backbone interact. energy: -0.338
local terms energy: -355.470647
where:
bonds (distance) C4'-P energy: -65.493
bonds (distance) P-C4' energy: -69.330
flat angles C4'-P-C4' energy: -69.769
flat angles P-C4'-P energy: -53.726
tors. eta vs tors. theta energy: -97.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -917.671002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.671002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.671002 (E_RNA)
where:
Base-Base interactions energy: -601.110
where: short stacking energy: -259.126
Base-Backbone interact. energy: 2.334
local terms energy: -318.894961
where:
bonds (distance) C4'-P energy: -60.703
bonds (distance) P-C4' energy: -73.154
flat angles C4'-P-C4' energy: -63.900
flat angles P-C4'-P energy: -41.773
tors. eta vs tors. theta energy: -79.364
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: 4, replica: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -819.516555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.516555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.516555 (E_RNA)
where:
Base-Base interactions energy: -519.145
where: short stacking energy: -228.653
Base-Backbone interact. energy: -0.554
local terms energy: -299.818178
where:
bonds (distance) C4'-P energy: -64.410
bonds (distance) P-C4' energy: -63.572
flat angles C4'-P-C4' energy: -70.928
flat angles P-C4'-P energy: -32.431
tors. eta vs tors. theta energy: -68.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -776.435966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.435966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.435966 (E_RNA)
where:
Base-Base interactions energy: -476.895
where: short stacking energy: -225.077
Base-Backbone interact. energy: -3.104
local terms energy: -296.437125
where:
bonds (distance) C4'-P energy: -66.031
bonds (distance) P-C4' energy: -74.214
flat angles C4'-P-C4' energy: -66.232
flat angles P-C4'-P energy: -46.802
tors. eta vs tors. theta energy: -43.158
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: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -775.830205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.830205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.830205 (E_RNA)
where:
Base-Base interactions energy: -493.871
where: short stacking energy: -219.172
Base-Backbone interact. energy: -0.964
local terms energy: -280.994297
where:
bonds (distance) C4'-P energy: -49.493
bonds (distance) P-C4' energy: -61.442
flat angles C4'-P-C4' energy: -62.958
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -66.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -524.387414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.387414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.387414 (E_RNA)
where:
Base-Base interactions energy: -289.858
where: short stacking energy: -136.817
Base-Backbone interact. energy: 1.526
local terms energy: -236.054796
where:
bonds (distance) C4'-P energy: -57.379
bonds (distance) P-C4' energy: -65.690
flat angles C4'-P-C4' energy: -65.551
flat angles P-C4'-P energy: -34.543
tors. eta vs tors. theta energy: -12.891
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: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -564.003852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.003852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.003852 (E_RNA)
where:
Base-Base interactions energy: -337.519
where: short stacking energy: -154.152
Base-Backbone interact. energy: -1.275
local terms energy: -225.210567
where:
bonds (distance) C4'-P energy: -46.750
bonds (distance) P-C4' energy: -54.831
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -37.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -497.554577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.554577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.554577 (E_RNA)
where:
Base-Base interactions energy: -279.432
where: short stacking energy: -141.949
Base-Backbone interact. energy: -1.885
local terms energy: -216.237122
where:
bonds (distance) C4'-P energy: -47.507
bonds (distance) P-C4' energy: -47.315
flat angles C4'-P-C4' energy: -57.806
flat angles P-C4'-P energy: -36.480
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: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -281.554274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.554274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.554274 (E_RNA)
where:
Base-Base interactions energy: -84.712
where: short stacking energy: -65.369
Base-Backbone interact. energy: -1.235
local terms energy: -195.606770
where:
bonds (distance) C4'-P energy: -57.276
bonds (distance) P-C4' energy: -66.528
flat angles C4'-P-C4' energy: -53.974
flat angles P-C4'-P energy: -25.968
tors. eta vs tors. theta energy: 8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1167.288839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.288839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.288839 (E_RNA)
where:
Base-Base interactions energy: -784.716
where: short stacking energy: -326.410
Base-Backbone interact. energy: -2.403
local terms energy: -380.170097
where:
bonds (distance) C4'-P energy: -69.606
bonds (distance) P-C4' energy: -79.537
flat angles C4'-P-C4' energy: -74.884
flat angles P-C4'-P energy: -48.250
tors. eta vs tors. theta energy: -107.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1124.067364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.067364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.067364 (E_RNA)
where:
Base-Base interactions energy: -777.823
where: short stacking energy: -324.296
Base-Backbone interact. energy: -0.018
local terms energy: -346.227039
where:
bonds (distance) C4'-P energy: -66.191
bonds (distance) P-C4' energy: -65.371
flat angles C4'-P-C4' energy: -64.753
flat angles P-C4'-P energy: -45.698
tors. eta vs tors. theta energy: -104.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -947.435915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.435915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.435915 (E_RNA)
where:
Base-Base interactions energy: -619.279
where: short stacking energy: -293.237
Base-Backbone interact. energy: 0.886
local terms energy: -329.043546
where:
bonds (distance) C4'-P energy: -55.148
bonds (distance) P-C4' energy: -75.200
flat angles C4'-P-C4' energy: -74.727
flat angles P-C4'-P energy: -44.980
tors. eta vs tors. theta energy: -78.988
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: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -814.403486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.403486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.403486 (E_RNA)
where:
Base-Base interactions energy: -512.750
where: short stacking energy: -230.645
Base-Backbone interact. energy: -1.193
local terms energy: -300.460850
where:
bonds (distance) C4'-P energy: -68.121
bonds (distance) P-C4' energy: -69.312
flat angles C4'-P-C4' energy: -62.171
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -60.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -905.657653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.657653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.657653 (E_RNA)
where:
Base-Base interactions energy: -581.693
where: short stacking energy: -261.217
Base-Backbone interact. energy: 1.378
local terms energy: -325.342103
where:
bonds (distance) C4'-P energy: -75.476
bonds (distance) P-C4' energy: -65.405
flat angles C4'-P-C4' energy: -67.908
flat angles P-C4'-P energy: -35.804
tors. eta vs tors. theta energy: -80.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -742.529735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.529735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.529735 (E_RNA)
where:
Base-Base interactions energy: -504.529
where: short stacking energy: -214.448
Base-Backbone interact. energy: -1.125
local terms energy: -236.875247
where:
bonds (distance) C4'-P energy: -48.027
bonds (distance) P-C4' energy: -56.914
flat angles C4'-P-C4' energy: -55.811
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -42.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -610.025534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.025534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.025534 (E_RNA)
where:
Base-Base interactions energy: -362.369
where: short stacking energy: -188.843
Base-Backbone interact. energy: -0.261
local terms energy: -247.395177
where:
bonds (distance) C4'-P energy: -56.111
bonds (distance) P-C4' energy: -58.311
flat angles C4'-P-C4' energy: -60.428
flat angles P-C4'-P energy: -31.629
tors. eta vs tors. theta energy: -40.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -556.797749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.797749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.797749 (E_RNA)
where:
Base-Base interactions energy: -314.744
where: short stacking energy: -144.849
Base-Backbone interact. energy: -0.901
local terms energy: -241.152136
where:
bonds (distance) C4'-P energy: -61.435
bonds (distance) P-C4' energy: -70.996
flat angles C4'-P-C4' energy: -51.291
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -448.860443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.860443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.860443 (E_RNA)
where:
Base-Base interactions energy: -250.829
where: short stacking energy: -121.945
Base-Backbone interact. energy: 4.512
local terms energy: -202.543502
where:
bonds (distance) C4'-P energy: -49.397
bonds (distance) P-C4' energy: -48.884
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -276.371955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.371955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.371955 (E_RNA)
where:
Base-Base interactions energy: -96.919
where: short stacking energy: -72.892
Base-Backbone interact. energy: 0.261
local terms energy: -179.757799
where:
bonds (distance) C4'-P energy: -48.692
bonds (distance) P-C4' energy: -72.608
flat angles C4'-P-C4' energy: -38.448
flat angles P-C4'-P energy: -23.963
tors. eta vs tors. theta energy: 3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1150.476594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.476594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.476594 (E_RNA)
where:
Base-Base interactions energy: -774.896
where: short stacking energy: -310.477
Base-Backbone interact. energy: -1.876
local terms energy: -373.704318
where:
bonds (distance) C4'-P energy: -55.865
bonds (distance) P-C4' energy: -72.546
flat angles C4'-P-C4' energy: -85.050
flat angles P-C4'-P energy: -55.809
tors. eta vs tors. theta energy: -104.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1120.333679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.333679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.333679 (E_RNA)
where:
Base-Base interactions energy: -772.391
where: short stacking energy: -308.052
Base-Backbone interact. energy: -2.579
local terms energy: -345.364299
where:
bonds (distance) C4'-P energy: -58.353
bonds (distance) P-C4' energy: -72.685
flat angles C4'-P-C4' energy: -73.881
flat angles P-C4'-P energy: -44.855
tors. eta vs tors. theta energy: -95.591
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: 165
Temperature: 1.000000
Total energy: -957.530127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.530127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.530127 (E_RNA)
where:
Base-Base interactions energy: -630.541
where: short stacking energy: -273.633
Base-Backbone interact. energy: -1.344
local terms energy: -325.645783
where:
bonds (distance) C4'-P energy: -58.676
bonds (distance) P-C4' energy: -72.069
flat angles C4'-P-C4' energy: -74.106
flat angles P-C4'-P energy: -55.928
tors. eta vs tors. theta energy: -64.866
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: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -937.728025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.728025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.728025 (E_RNA)
where:
Base-Base interactions energy: -599.684
where: short stacking energy: -264.040
Base-Backbone interact. energy: -1.014
local terms energy: -337.029889
where:
bonds (distance) C4'-P energy: -68.064
bonds (distance) P-C4' energy: -64.817
flat angles C4'-P-C4' energy: -65.657
flat angles P-C4'-P energy: -49.887
tors. eta vs tors. theta energy: -88.606
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: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -794.883271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.883271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.883271 (E_RNA)
where:
Base-Base interactions energy: -488.825
where: short stacking energy: -202.073
Base-Backbone interact. energy: -2.452
local terms energy: -303.605868
where:
bonds (distance) C4'-P energy: -62.632
bonds (distance) P-C4' energy: -63.930
flat angles C4'-P-C4' energy: -67.241
flat angles P-C4'-P energy: -49.231
tors. eta vs tors. theta energy: -60.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -750.780027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.780027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.780027 (E_RNA)
where:
Base-Base interactions energy: -476.406
where: short stacking energy: -204.681
Base-Backbone interact. energy: 0.422
local terms energy: -274.796260
where:
bonds (distance) C4'-P energy: -58.998
bonds (distance) P-C4' energy: -53.370
flat angles C4'-P-C4' energy: -63.911
flat angles P-C4'-P energy: -45.637
tors. eta vs tors. theta energy: -52.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -602.633896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.633896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.633896 (E_RNA)
where:
Base-Base interactions energy: -335.476
where: short stacking energy: -156.721
Base-Backbone interact. energy: 0.926
local terms energy: -268.084228
where:
bonds (distance) C4'-P energy: -57.836
bonds (distance) P-C4' energy: -73.207
flat angles C4'-P-C4' energy: -64.978
flat angles P-C4'-P energy: -33.470
tors. eta vs tors. theta energy: -38.593
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: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -551.935369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.935369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.935369 (E_RNA)
where:
Base-Base interactions energy: -341.243
where: short stacking energy: -158.498
Base-Backbone interact. energy: -0.848
local terms energy: -209.843803
where:
bonds (distance) C4'-P energy: -39.215
bonds (distance) P-C4' energy: -64.931
flat angles C4'-P-C4' energy: -45.368
flat angles P-C4'-P energy: -26.325
tors. eta vs tors. theta energy: -34.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -481.660591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.660591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.660591 (E_RNA)
where:
Base-Base interactions energy: -279.786
where: short stacking energy: -122.727
Base-Backbone interact. energy: -0.227
local terms energy: -201.647283
where:
bonds (distance) C4'-P energy: -53.893
bonds (distance) P-C4' energy: -53.737
flat angles C4'-P-C4' energy: -62.023
flat angles P-C4'-P energy: -25.849
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -272.319729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.319729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.319729 (E_RNA)
where:
Base-Base interactions energy: -104.429
where: short stacking energy: -59.017
Base-Backbone interact. energy: -1.898
local terms energy: -165.992508
where:
bonds (distance) C4'-P energy: -58.612
bonds (distance) P-C4' energy: -64.183
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -26.799
tors. eta vs tors. theta energy: 21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1180.680188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.680188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.680188 (E_RNA)
where:
Base-Base interactions energy: -809.668
where: short stacking energy: -315.349
Base-Backbone interact. energy: -2.041
local terms energy: -368.971586
where:
bonds (distance) C4'-P energy: -63.644
bonds (distance) P-C4' energy: -71.706
flat angles C4'-P-C4' energy: -76.371
flat angles P-C4'-P energy: -51.075
tors. eta vs tors. theta energy: -106.176
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: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1102.790777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.790777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.790777 (E_RNA)
where:
Base-Base interactions energy: -749.591
where: short stacking energy: -327.242
Base-Backbone interact. energy: -1.009
local terms energy: -352.190913
where:
bonds (distance) C4'-P energy: -63.568
bonds (distance) P-C4' energy: -61.426
flat angles C4'-P-C4' energy: -72.128
flat angles P-C4'-P energy: -54.217
tors. eta vs tors. theta energy: -100.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -943.519912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.519912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.519912 (E_RNA)
where:
Base-Base interactions energy: -623.330
where: short stacking energy: -259.784
Base-Backbone interact. energy: -0.993
local terms energy: -319.197191
where:
bonds (distance) C4'-P energy: -60.301
bonds (distance) P-C4' energy: -73.717
flat angles C4'-P-C4' energy: -75.364
flat angles P-C4'-P energy: -38.812
tors. eta vs tors. theta energy: -71.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -922.892903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.892903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.892903 (E_RNA)
where:
Base-Base interactions energy: -599.473
where: short stacking energy: -255.608
Base-Backbone interact. energy: -1.192
local terms energy: -322.228106
where:
bonds (distance) C4'-P energy: -61.639
bonds (distance) P-C4' energy: -70.957
flat angles C4'-P-C4' energy: -72.396
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: -81.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -841.997997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.997997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.997997 (E_RNA)
where:
Base-Base interactions energy: -560.032
where: short stacking energy: -262.234
Base-Backbone interact. energy: -1.235
local terms energy: -280.731601
where:
bonds (distance) C4'-P energy: -53.200
bonds (distance) P-C4' energy: -57.860
flat angles C4'-P-C4' energy: -58.539
flat angles P-C4'-P energy: -46.404
tors. eta vs tors. theta energy: -64.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -817.604330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.604330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.604330 (E_RNA)
where:
Base-Base interactions energy: -537.176
where: short stacking energy: -228.126
Base-Backbone interact. energy: 0.415
local terms energy: -280.843980
where:
bonds (distance) C4'-P energy: -63.086
bonds (distance) P-C4' energy: -50.858
flat angles C4'-P-C4' energy: -60.262
flat angles P-C4'-P energy: -44.329
tors. eta vs tors. theta energy: -62.309
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: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -525.932737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.932737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.932737 (E_RNA)
where:
Base-Base interactions energy: -295.803
where: short stacking energy: -150.010
Base-Backbone interact. energy: 0.696
local terms energy: -230.825960
where:
bonds (distance) C4'-P energy: -65.347
bonds (distance) P-C4' energy: -61.646
flat angles C4'-P-C4' energy: -57.200
flat angles P-C4'-P energy: -33.584
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -553.328636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.328636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.328636 (E_RNA)
where:
Base-Base interactions energy: -313.412
where: short stacking energy: -134.318
Base-Backbone interact. energy: -0.155
local terms energy: -239.762119
where:
bonds (distance) C4'-P energy: -64.639
bonds (distance) P-C4' energy: -63.453
flat angles C4'-P-C4' energy: -52.266
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -425.231860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.231860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.231860 (E_RNA)
where:
Base-Base interactions energy: -255.872
where: short stacking energy: -118.832
Base-Backbone interact. energy: 3.208
local terms energy: -172.567115
where:
bonds (distance) C4'-P energy: -65.571
bonds (distance) P-C4' energy: -28.819
flat angles C4'-P-C4' energy: -51.564
flat angles P-C4'-P energy: -27.680
tors. eta vs tors. theta energy: 1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -264.531824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.531824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.531824 (E_RNA)
where:
Base-Base interactions energy: -79.007
where: short stacking energy: -63.320
Base-Backbone interact. energy: -1.547
local terms energy: -183.978121
where:
bonds (distance) C4'-P energy: -58.331
bonds (distance) P-C4' energy: -60.637
flat angles C4'-P-C4' energy: -57.586
flat angles P-C4'-P energy: -20.321
tors. eta vs tors. theta energy: 12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1155.886906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.886906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.886906 (E_RNA)
where:
Base-Base interactions energy: -771.969
where: short stacking energy: -312.744
Base-Backbone interact. energy: -2.109
local terms energy: -381.808185
where:
bonds (distance) C4'-P energy: -75.420
bonds (distance) P-C4' energy: -64.875
flat angles C4'-P-C4' energy: -79.681
flat angles P-C4'-P energy: -50.014
tors. eta vs tors. theta energy: -111.818
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: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1100.790873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.790873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.790873 (E_RNA)
where:
Base-Base interactions energy: -744.701
where: short stacking energy: -306.408
Base-Backbone interact. energy: -2.237
local terms energy: -353.853008
where:
bonds (distance) C4'-P energy: -65.804
bonds (distance) P-C4' energy: -60.015
flat angles C4'-P-C4' energy: -80.169
flat angles P-C4'-P energy: -47.926
tors. eta vs tors. theta energy: -99.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -949.852775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.852775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.852775 (E_RNA)
where:
Base-Base interactions energy: -623.898
where: short stacking energy: -270.404
Base-Backbone interact. energy: 1.757
local terms energy: -327.711158
where:
bonds (distance) C4'-P energy: -73.515
bonds (distance) P-C4' energy: -68.195
flat angles C4'-P-C4' energy: -70.344
flat angles P-C4'-P energy: -34.100
tors. eta vs tors. theta energy: -81.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -931.616245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.616245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.616245 (E_RNA)
where:
Base-Base interactions energy: -623.518
where: short stacking energy: -270.079
Base-Backbone interact. energy: 0.608
local terms energy: -308.706602
where:
bonds (distance) C4'-P energy: -52.072
bonds (distance) P-C4' energy: -62.379
flat angles C4'-P-C4' energy: -72.341
flat angles P-C4'-P energy: -42.472
tors. eta vs tors. theta energy: -79.443
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: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -856.898319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.898319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.898319 (E_RNA)
where:
Base-Base interactions energy: -549.310
where: short stacking energy: -218.207
Base-Backbone interact. energy: -1.208
local terms energy: -306.380159
where:
bonds (distance) C4'-P energy: -70.553
bonds (distance) P-C4' energy: -59.948
flat angles C4'-P-C4' energy: -65.844
flat angles P-C4'-P energy: -44.288
tors. eta vs tors. theta energy: -65.748
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: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -740.161857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.161857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.161857 (E_RNA)
where:
Base-Base interactions energy: -469.933
where: short stacking energy: -216.196
Base-Backbone interact. energy: -2.969
local terms energy: -267.259317
where:
bonds (distance) C4'-P energy: -52.313
bonds (distance) P-C4' energy: -62.857
flat angles C4'-P-C4' energy: -71.335
flat angles P-C4'-P energy: -29.586
tors. eta vs tors. theta energy: -51.169
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: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -552.356817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.356817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.356817 (E_RNA)
where:
Base-Base interactions energy: -326.652
where: short stacking energy: -160.348
Base-Backbone interact. energy: 0.956
local terms energy: -226.660914
where:
bonds (distance) C4'-P energy: -55.506
bonds (distance) P-C4' energy: -50.595
flat angles C4'-P-C4' energy: -54.979
flat angles P-C4'-P energy: -37.764
tors. eta vs tors. theta energy: -27.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -545.526405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.526405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.526405 (E_RNA)
where:
Base-Base interactions energy: -305.736
where: short stacking energy: -143.524
Base-Backbone interact. energy: 0.287
local terms energy: -240.077376
where:
bonds (distance) C4'-P energy: -46.077
bonds (distance) P-C4' energy: -71.732
flat angles C4'-P-C4' energy: -47.653
flat angles P-C4'-P energy: -47.296
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -385.166890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.166890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.166890 (E_RNA)
where:
Base-Base interactions energy: -204.058
where: short stacking energy: -93.255
Base-Backbone interact. energy: 0.778
local terms energy: -181.887032
where:
bonds (distance) C4'-P energy: -54.403
bonds (distance) P-C4' energy: -63.966
flat angles C4'-P-C4' energy: -51.941
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: 6.062
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: 7
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -256.542404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.542404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.542404 (E_RNA)
where:
Base-Base interactions energy: -68.137
where: short stacking energy: -40.719
Base-Backbone interact. energy: -0.273
local terms energy: -188.132731
where:
bonds (distance) C4'-P energy: -55.087
bonds (distance) P-C4' energy: -61.477
flat angles C4'-P-C4' energy: -54.199
flat angles P-C4'-P energy: -30.454
tors. eta vs tors. theta energy: 13.084
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: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1162.977811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.977811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.977811 (E_RNA)
where:
Base-Base interactions energy: -794.790
where: short stacking energy: -331.148
Base-Backbone interact. energy: 0.771
local terms energy: -368.959497
where:
bonds (distance) C4'-P energy: -79.639
bonds (distance) P-C4' energy: -68.629
flat angles C4'-P-C4' energy: -72.471
flat angles P-C4'-P energy: -46.663
tors. eta vs tors. theta energy: -101.558
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: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1126.995472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.995472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.995472 (E_RNA)
where:
Base-Base interactions energy: -784.577
where: short stacking energy: -311.341
Base-Backbone interact. energy: -0.770
local terms energy: -342.842957
where:
bonds (distance) C4'-P energy: -60.080
bonds (distance) P-C4' energy: -66.902
flat angles C4'-P-C4' energy: -69.149
flat angles P-C4'-P energy: -40.872
tors. eta vs tors. theta energy: -105.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.195 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -970.295973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.295973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.295973 (E_RNA)
where:
Base-Base interactions energy: -639.265
where: short stacking energy: -258.627
Base-Backbone interact. energy: 1.502
local terms energy: -332.533020
where:
bonds (distance) C4'-P energy: -63.698
bonds (distance) P-C4' energy: -73.459
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -49.793
tors. eta vs tors. theta energy: -79.928
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: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -961.126397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.126397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.126397 (E_RNA)
where:
Base-Base interactions energy: -655.249
where: short stacking energy: -282.509
Base-Backbone interact. energy: -1.478
local terms energy: -304.398745
where:
bonds (distance) C4'-P energy: -63.844
bonds (distance) P-C4' energy: -60.212
flat angles C4'-P-C4' energy: -65.790
flat angles P-C4'-P energy: -30.552
tors. eta vs tors. theta energy: -84.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -881.128127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.128127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.128127 (E_RNA)
where:
Base-Base interactions energy: -586.839
where: short stacking energy: -262.218
Base-Backbone interact. energy: -2.800
local terms energy: -291.488480
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -66.427
flat angles C4'-P-C4' energy: -55.312
flat angles P-C4'-P energy: -50.431
tors. eta vs tors. theta energy: -66.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -720.059163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.059163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.059163 (E_RNA)
where:
Base-Base interactions energy: -453.193
where: short stacking energy: -200.566
Base-Backbone interact. energy: -1.659
local terms energy: -265.207081
where:
bonds (distance) C4'-P energy: -58.382
bonds (distance) P-C4' energy: -70.667
flat angles C4'-P-C4' energy: -63.718
flat angles P-C4'-P energy: -37.941
tors. eta vs tors. theta energy: -34.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -567.163778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.163778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.163778 (E_RNA)
where:
Base-Base interactions energy: -327.234
where: short stacking energy: -170.677
Base-Backbone interact. energy: -1.674
local terms energy: -238.255084
where:
bonds (distance) C4'-P energy: -53.564
bonds (distance) P-C4' energy: -69.563
flat angles C4'-P-C4' energy: -64.892
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: -24.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -544.852742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.852742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.852742 (E_RNA)
where:
Base-Base interactions energy: -336.972
where: short stacking energy: -167.478
Base-Backbone interact. energy: 1.974
local terms energy: -209.854687
where:
bonds (distance) C4'-P energy: -57.062
bonds (distance) P-C4' energy: -53.905
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -22.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -351.113237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.113237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.113237 (E_RNA)
where:
Base-Base interactions energy: -156.378
where: short stacking energy: -102.488
Base-Backbone interact. energy: -1.614
local terms energy: -193.121181
where:
bonds (distance) C4'-P energy: -55.341
bonds (distance) P-C4' energy: -56.104
flat angles C4'-P-C4' energy: -50.257
flat angles P-C4'-P energy: -32.207
tors. eta vs tors. theta energy: 0.789
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: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -260.083967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.083967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.083967 (E_RNA)
where:
Base-Base interactions energy: -83.477
where: short stacking energy: -71.688
Base-Backbone interact. energy: 2.118
local terms energy: -179.339156
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -47.851
flat angles C4'-P-C4' energy: -55.404
flat angles P-C4'-P energy: -30.025
tors. eta vs tors. theta energy: 8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.614 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1163.791482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.791482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.791482 (E_RNA)
where:
Base-Base interactions energy: -798.362
where: short stacking energy: -345.218
Base-Backbone interact. energy: -1.799
local terms energy: -363.630334
where:
bonds (distance) C4'-P energy: -54.801
bonds (distance) P-C4' energy: -70.446
flat angles C4'-P-C4' energy: -73.435
flat angles P-C4'-P energy: -55.553
tors. eta vs tors. theta energy: -109.395
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: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1114.006729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.006729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.006729 (E_RNA)
where:
Base-Base interactions energy: -758.632
where: short stacking energy: -316.113
Base-Backbone interact. energy: 0.567
local terms energy: -355.941478
where:
bonds (distance) C4'-P energy: -62.286
bonds (distance) P-C4' energy: -66.138
flat angles C4'-P-C4' energy: -74.745
flat angles P-C4'-P energy: -53.051
tors. eta vs tors. theta energy: -99.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -966.442366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.442366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.442366 (E_RNA)
where:
Base-Base interactions energy: -643.397
where: short stacking energy: -268.876
Base-Backbone interact. energy: -0.433
local terms energy: -322.612692
where:
bonds (distance) C4'-P energy: -58.628
bonds (distance) P-C4' energy: -64.581
flat angles C4'-P-C4' energy: -67.821
flat angles P-C4'-P energy: -47.461
tors. eta vs tors. theta energy: -84.122
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: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -954.461226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.461226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.461226 (E_RNA)
where:
Base-Base interactions energy: -619.648
where: short stacking energy: -258.553
Base-Backbone interact. energy: -1.943
local terms energy: -332.870332
where:
bonds (distance) C4'-P energy: -72.858
bonds (distance) P-C4' energy: -70.090
flat angles C4'-P-C4' energy: -62.332
flat angles P-C4'-P energy: -41.076
tors. eta vs tors. theta energy: -86.514
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: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -833.425414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.425414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.425414 (E_RNA)
where:
Base-Base interactions energy: -538.143
where: short stacking energy: -219.394
Base-Backbone interact. energy: -1.585
local terms energy: -293.697517
where:
bonds (distance) C4'-P energy: -62.728
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -61.931
flat angles P-C4'-P energy: -49.392
tors. eta vs tors. theta energy: -65.200
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: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -737.444535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.444535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.444535 (E_RNA)
where:
Base-Base interactions energy: -486.302
where: short stacking energy: -200.848
Base-Backbone interact. energy: -1.468
local terms energy: -249.674219
where:
bonds (distance) C4'-P energy: -59.068
bonds (distance) P-C4' energy: -60.283
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -39.322
tors. eta vs tors. theta energy: -34.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -559.074087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.074087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.074087 (E_RNA)
where:
Base-Base interactions energy: -326.800
where: short stacking energy: -156.951
Base-Backbone interact. energy: 2.398
local terms energy: -234.671629
where:
bonds (distance) C4'-P energy: -64.473
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -57.191
flat angles P-C4'-P energy: -37.884
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -562.010325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.010325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.010325 (E_RNA)
where:
Base-Base interactions energy: -304.492
where: short stacking energy: -146.165
Base-Backbone interact. energy: 0.245
local terms energy: -257.762876
where:
bonds (distance) C4'-P energy: -56.117
bonds (distance) P-C4' energy: -74.129
flat angles C4'-P-C4' energy: -58.022
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: -30.925
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: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -370.965261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.965261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.965261 (E_RNA)
where:
Base-Base interactions energy: -172.507
where: short stacking energy: -92.764
Base-Backbone interact. energy: 2.632
local terms energy: -201.090044
where:
bonds (distance) C4'-P energy: -56.548
bonds (distance) P-C4' energy: -55.197
flat angles C4'-P-C4' energy: -56.069
flat angles P-C4'-P energy: -35.005
tors. eta vs tors. theta energy: 1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -295.124081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.124081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.124081 (E_RNA)
where:
Base-Base interactions energy: -117.240
where: short stacking energy: -88.695
Base-Backbone interact. energy: 4.938
local terms energy: -182.821937
where:
bonds (distance) C4'-P energy: -59.629
bonds (distance) P-C4' energy: -56.947
flat angles C4'-P-C4' energy: -44.319
flat angles P-C4'-P energy: -32.315
tors. eta vs tors. theta energy: 10.387
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: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1167.129405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.129405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.129405 (E_RNA)
where:
Base-Base interactions energy: -798.349
where: short stacking energy: -315.811
Base-Backbone interact. energy: 0.262
local terms energy: -369.042010
where:
bonds (distance) C4'-P energy: -75.598
bonds (distance) P-C4' energy: -69.971
flat angles C4'-P-C4' energy: -69.692
flat angles P-C4'-P energy: -51.938
tors. eta vs tors. theta energy: -101.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1105.983176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.983176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.983176 (E_RNA)
where:
Base-Base interactions energy: -761.179
where: short stacking energy: -305.965
Base-Backbone interact. energy: -0.395
local terms energy: -344.409333
where:
bonds (distance) C4'-P energy: -62.243
bonds (distance) P-C4' energy: -65.665
flat angles C4'-P-C4' energy: -68.837
flat angles P-C4'-P energy: -47.077
tors. eta vs tors. theta energy: -100.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -967.920484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.920484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.920484 (E_RNA)
where:
Base-Base interactions energy: -664.165
where: short stacking energy: -280.338
Base-Backbone interact. energy: -0.163
local terms energy: -303.592521
where:
bonds (distance) C4'-P energy: -46.717
bonds (distance) P-C4' energy: -70.464
flat angles C4'-P-C4' energy: -70.024
flat angles P-C4'-P energy: -45.689
tors. eta vs tors. theta energy: -70.699
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: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -926.547441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.547441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.547441 (E_RNA)
where:
Base-Base interactions energy: -613.462
where: short stacking energy: -261.619
Base-Backbone interact. energy: -1.684
local terms energy: -311.402038
where:
bonds (distance) C4'-P energy: -65.872
bonds (distance) P-C4' energy: -67.809
flat angles C4'-P-C4' energy: -61.962
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: -75.887
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: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -847.812755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.812755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.812755 (E_RNA)
where:
Base-Base interactions energy: -544.734
where: short stacking energy: -236.734
Base-Backbone interact. energy: 0.727
local terms energy: -303.805790
where:
bonds (distance) C4'-P energy: -59.732
bonds (distance) P-C4' energy: -68.396
flat angles C4'-P-C4' energy: -61.613
flat angles P-C4'-P energy: -42.615
tors. eta vs tors. theta energy: -71.449
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: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -739.356569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.356569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.356569 (E_RNA)
where:
Base-Base interactions energy: -464.227
where: short stacking energy: -193.612
Base-Backbone interact. energy: -0.970
local terms energy: -274.159810
where:
bonds (distance) C4'-P energy: -60.370
bonds (distance) P-C4' energy: -54.325
flat angles C4'-P-C4' energy: -58.560
flat angles P-C4'-P energy: -54.739
tors. eta vs tors. theta energy: -46.166
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: 8
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -572.723387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.723387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.723387 (E_RNA)
where:
Base-Base interactions energy: -339.245
where: short stacking energy: -181.585
Base-Backbone interact. energy: 4.906
local terms energy: -238.383884
where:
bonds (distance) C4'-P energy: -61.146
bonds (distance) P-C4' energy: -44.911
flat angles C4'-P-C4' energy: -65.925
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: -31.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -530.718471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.718471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.718471 (E_RNA)
where:
Base-Base interactions energy: -314.581
where: short stacking energy: -148.410
Base-Backbone interact. energy: -1.007
local terms energy: -215.130585
where:
bonds (distance) C4'-P energy: -49.413
bonds (distance) P-C4' energy: -66.919
flat angles C4'-P-C4' energy: -48.462
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -360.620584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.620584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.620584 (E_RNA)
where:
Base-Base interactions energy: -151.410
where: short stacking energy: -91.052
Base-Backbone interact. energy: 1.694
local terms energy: -210.904467
where:
bonds (distance) C4'-P energy: -60.601
bonds (distance) P-C4' energy: -60.366
flat angles C4'-P-C4' energy: -51.220
flat angles P-C4'-P energy: -32.936
tors. eta vs tors. theta energy: -5.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -269.879254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.879254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.879254 (E_RNA)
where:
Base-Base interactions energy: -99.490
where: short stacking energy: -78.547
Base-Backbone interact. energy: -1.502
local terms energy: -169.637758
where:
bonds (distance) C4'-P energy: -51.645
bonds (distance) P-C4' energy: -43.319
flat angles C4'-P-C4' energy: -55.693
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: 3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.751 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1145.779253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.779253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.779253 (E_RNA)
where:
Base-Base interactions energy: -784.586
where: short stacking energy: -313.786
Base-Backbone interact. energy: -1.455
local terms energy: -359.738267
where:
bonds (distance) C4'-P energy: -59.467
bonds (distance) P-C4' energy: -66.894
flat angles C4'-P-C4' energy: -79.868
flat angles P-C4'-P energy: -49.004
tors. eta vs tors. theta energy: -104.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1113.985358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.985358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.985358 (E_RNA)
where:
Base-Base interactions energy: -751.036
where: short stacking energy: -321.147
Base-Backbone interact. energy: -0.965
local terms energy: -361.983860
where:
bonds (distance) C4'-P energy: -61.118
bonds (distance) P-C4' energy: -63.699
flat angles C4'-P-C4' energy: -71.550
flat angles P-C4'-P energy: -59.715
tors. eta vs tors. theta energy: -105.902
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: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -951.355220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.355220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.355220 (E_RNA)
where:
Base-Base interactions energy: -634.414
where: short stacking energy: -295.932
Base-Backbone interact. energy: -0.809
local terms energy: -316.131721
where:
bonds (distance) C4'-P energy: -49.029
bonds (distance) P-C4' energy: -67.512
flat angles C4'-P-C4' energy: -65.822
flat angles P-C4'-P energy: -47.886
tors. eta vs tors. theta energy: -85.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -889.746811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.746811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.746811 (E_RNA)
where:
Base-Base interactions energy: -593.344
where: short stacking energy: -259.950
Base-Backbone interact. energy: -1.607
local terms energy: -294.795788
where:
bonds (distance) C4'-P energy: -52.309
bonds (distance) P-C4' energy: -61.024
flat angles C4'-P-C4' energy: -58.485
flat angles P-C4'-P energy: -44.530
tors. eta vs tors. theta energy: -78.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -874.131575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.131575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.131575 (E_RNA)
where:
Base-Base interactions energy: -574.338
where: short stacking energy: -251.225
Base-Backbone interact. energy: -1.093
local terms energy: -298.700425
where:
bonds (distance) C4'-P energy: -61.090
bonds (distance) P-C4' energy: -56.342
flat angles C4'-P-C4' energy: -67.033
flat angles P-C4'-P energy: -39.966
tors. eta vs tors. theta energy: -74.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -708.651325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.651325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.651325 (E_RNA)
where:
Base-Base interactions energy: -440.390
where: short stacking energy: -175.676
Base-Backbone interact. energy: 0.725
local terms energy: -268.986115
where:
bonds (distance) C4'-P energy: -56.908
bonds (distance) P-C4' energy: -69.253
flat angles C4'-P-C4' energy: -58.192
flat angles P-C4'-P energy: -39.871
tors. eta vs tors. theta energy: -44.763
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: 7, replica: 8
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -586.797059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.797059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.797059 (E_RNA)
where:
Base-Base interactions energy: -365.394
where: short stacking energy: -169.727
Base-Backbone interact. energy: -0.483
local terms energy: -220.920251
where:
bonds (distance) C4'-P energy: -44.848
bonds (distance) P-C4' energy: -51.719
flat angles C4'-P-C4' energy: -63.398
flat angles P-C4'-P energy: -27.770
tors. eta vs tors. theta energy: -33.186
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: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -567.578445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.578445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.578445 (E_RNA)
where:
Base-Base interactions energy: -336.150
where: short stacking energy: -147.358
Base-Backbone interact. energy: -0.678
local terms energy: -230.749773
where:
bonds (distance) C4'-P energy: -59.653
bonds (distance) P-C4' energy: -53.937
flat angles C4'-P-C4' energy: -56.394
flat angles P-C4'-P energy: -42.017
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -387.851903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.851903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.851903 (E_RNA)
where:
Base-Base interactions energy: -174.175
where: short stacking energy: -97.030
Base-Backbone interact. energy: -1.344
local terms energy: -212.332620
where:
bonds (distance) C4'-P energy: -58.329
bonds (distance) P-C4' energy: -72.690
flat angles C4'-P-C4' energy: -50.200
flat angles P-C4'-P energy: -30.641
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -280.068123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.068123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.068123 (E_RNA)
where:
Base-Base interactions energy: -93.108
where: short stacking energy: -88.624
Base-Backbone interact. energy: 0.490
local terms energy: -187.449746
where:
bonds (distance) C4'-P energy: -54.198
bonds (distance) P-C4' energy: -52.633
flat angles C4'-P-C4' energy: -51.590
flat angles P-C4'-P energy: -17.685
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1142.771348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.771348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.771348 (E_RNA)
where:
Base-Base interactions energy: -770.886
where: short stacking energy: -305.172
Base-Backbone interact. energy: 0.782
local terms energy: -372.667188
where:
bonds (distance) C4'-P energy: -69.187
bonds (distance) P-C4' energy: -67.043
flat angles C4'-P-C4' energy: -78.512
flat angles P-C4'-P energy: -54.508
tors. eta vs tors. theta energy: -103.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1120.195668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.195668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.195668 (E_RNA)
where:
Base-Base interactions energy: -759.299
where: short stacking energy: -317.868
Base-Backbone interact. energy: -0.988
local terms energy: -360.134931
where:
bonds (distance) C4'-P energy: -60.687
bonds (distance) P-C4' energy: -64.818
flat angles C4'-P-C4' energy: -78.445
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: -99.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.226 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -908.469970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.469970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.469970 (E_RNA)
where:
Base-Base interactions energy: -580.560
where: short stacking energy: -262.106
Base-Backbone interact. energy: -0.652
local terms energy: -327.258011
where:
bonds (distance) C4'-P energy: -68.232
bonds (distance) P-C4' energy: -74.912
flat angles C4'-P-C4' energy: -61.424
flat angles P-C4'-P energy: -43.342
tors. eta vs tors. theta energy: -79.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -880.194787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.194787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.194787 (E_RNA)
where:
Base-Base interactions energy: -564.047
where: short stacking energy: -240.354
Base-Backbone interact. energy: -1.188
local terms energy: -314.959743
where:
bonds (distance) C4'-P energy: -64.210
bonds (distance) P-C4' energy: -73.765
flat angles C4'-P-C4' energy: -69.616
flat angles P-C4'-P energy: -38.296
tors. eta vs tors. theta energy: -69.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -748.286043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.286043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.286043 (E_RNA)
where:
Base-Base interactions energy: -476.255
where: short stacking energy: -217.036
Base-Backbone interact. energy: -1.287
local terms energy: -270.744106
where:
bonds (distance) C4'-P energy: -62.742
bonds (distance) P-C4' energy: -60.366
flat angles C4'-P-C4' energy: -62.544
flat angles P-C4'-P energy: -36.655
tors. eta vs tors. theta energy: -48.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -849.344922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.344922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.344922 (E_RNA)
where:
Base-Base interactions energy: -557.507
where: short stacking energy: -254.670
Base-Backbone interact. energy: -1.313
local terms energy: -290.524541
where:
bonds (distance) C4'-P energy: -53.677
bonds (distance) P-C4' energy: -59.965
flat angles C4'-P-C4' energy: -66.857
flat angles P-C4'-P energy: -41.095
tors. eta vs tors. theta energy: -68.931
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: 172
Temperature: 1.200000
Total energy: -598.983449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.983449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.983449 (E_RNA)
where:
Base-Base interactions energy: -365.352
where: short stacking energy: -171.026
Base-Backbone interact. energy: 0.774
local terms energy: -234.406158
where:
bonds (distance) C4'-P energy: -51.195
bonds (distance) P-C4' energy: -66.116
flat angles C4'-P-C4' energy: -48.943
flat angles P-C4'-P energy: -38.522
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: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -567.821875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.821875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.821875 (E_RNA)
where:
Base-Base interactions energy: -337.786
where: short stacking energy: -150.546
Base-Backbone interact. energy: -0.203
local terms energy: -229.833059
where:
bonds (distance) C4'-P energy: -54.955
bonds (distance) P-C4' energy: -64.929
flat angles C4'-P-C4' energy: -54.254
flat angles P-C4'-P energy: -34.673
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -465.483974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.483974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.483974 (E_RNA)
where:
Base-Base interactions energy: -253.408
where: short stacking energy: -137.872
Base-Backbone interact. energy: -2.313
local terms energy: -209.762783
where:
bonds (distance) C4'-P energy: -55.518
bonds (distance) P-C4' energy: -48.935
flat angles C4'-P-C4' energy: -55.195
flat angles P-C4'-P energy: -39.711
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -291.588281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.588281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.588281 (E_RNA)
where:
Base-Base interactions energy: -105.925
where: short stacking energy: -91.675
Base-Backbone interact. energy: 0.219
local terms energy: -185.882620
where:
bonds (distance) C4'-P energy: -47.283
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -51.703
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: 9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1177.255644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.255644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.255644 (E_RNA)
where:
Base-Base interactions energy: -812.774
where: short stacking energy: -320.701
Base-Backbone interact. energy: -2.032
local terms energy: -362.449765
where:
bonds (distance) C4'-P energy: -69.763
bonds (distance) P-C4' energy: -67.652
flat angles C4'-P-C4' energy: -67.096
flat angles P-C4'-P energy: -51.831
tors. eta vs tors. theta energy: -106.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1125.961183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.961183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.961183 (E_RNA)
where:
Base-Base interactions energy: -766.054
where: short stacking energy: -324.869
Base-Backbone interact. energy: -0.786
local terms energy: -359.121192
where:
bonds (distance) C4'-P energy: -66.743
bonds (distance) P-C4' energy: -65.602
flat angles C4'-P-C4' energy: -71.258
flat angles P-C4'-P energy: -52.023
tors. eta vs tors. theta energy: -103.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -885.654461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.654461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.654461 (E_RNA)
where:
Base-Base interactions energy: -553.739
where: short stacking energy: -243.224
Base-Backbone interact. energy: -1.036
local terms energy: -330.879566
where:
bonds (distance) C4'-P energy: -65.470
bonds (distance) P-C4' energy: -71.664
flat angles C4'-P-C4' energy: -70.710
flat angles P-C4'-P energy: -54.405
tors. eta vs tors. theta energy: -68.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -893.430917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.430917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.430917 (E_RNA)
where:
Base-Base interactions energy: -590.858
where: short stacking energy: -265.778
Base-Backbone interact. energy: -1.264
local terms energy: -301.309547
where:
bonds (distance) C4'-P energy: -57.728
bonds (distance) P-C4' energy: -52.866
flat angles C4'-P-C4' energy: -72.447
flat angles P-C4'-P energy: -46.144
tors. eta vs tors. theta energy: -72.125
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: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -759.707887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.707887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.707887 (E_RNA)
where:
Base-Base interactions energy: -489.857
where: short stacking energy: -214.352
Base-Backbone interact. energy: -0.669
local terms energy: -269.182256
where:
bonds (distance) C4'-P energy: -61.764
bonds (distance) P-C4' energy: -61.593
flat angles C4'-P-C4' energy: -62.119
flat angles P-C4'-P energy: -36.081
tors. eta vs tors. theta energy: -47.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -775.949788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.949788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.949788 (E_RNA)
where:
Base-Base interactions energy: -502.389
where: short stacking energy: -216.145
Base-Backbone interact. energy: -0.763
local terms energy: -272.797839
where:
bonds (distance) C4'-P energy: -51.680
bonds (distance) P-C4' energy: -67.351
flat angles C4'-P-C4' energy: -64.583
flat angles P-C4'-P energy: -37.343
tors. eta vs tors. theta energy: -51.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -679.219963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.219963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.219963 (E_RNA)
where:
Base-Base interactions energy: -428.464
where: short stacking energy: -209.581
Base-Backbone interact. energy: -0.525
local terms energy: -250.230837
where:
bonds (distance) C4'-P energy: -48.981
bonds (distance) P-C4' energy: -56.895
flat angles C4'-P-C4' energy: -62.817
flat angles P-C4'-P energy: -36.226
tors. eta vs tors. theta energy: -45.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -570.658820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.658820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.658820 (E_RNA)
where:
Base-Base interactions energy: -323.762
where: short stacking energy: -159.385
Base-Backbone interact. energy: -0.796
local terms energy: -246.100262
where:
bonds (distance) C4'-P energy: -61.490
bonds (distance) P-C4' energy: -67.296
flat angles C4'-P-C4' energy: -49.328
flat angles P-C4'-P energy: -33.061
tors. eta vs tors. theta energy: -34.925
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: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -411.262201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.262201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.262201 (E_RNA)
where:
Base-Base interactions energy: -223.982
where: short stacking energy: -109.516
Base-Backbone interact. energy: -0.661
local terms energy: -186.619879
where:
bonds (distance) C4'-P energy: -53.741
bonds (distance) P-C4' energy: -52.665
flat angles C4'-P-C4' energy: -55.282
flat angles P-C4'-P energy: -29.200
tors. eta vs tors. theta energy: 4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -267.692374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.692374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.692374 (E_RNA)
where:
Base-Base interactions energy: -89.366
where: short stacking energy: -69.239
Base-Backbone interact. energy: -2.840
local terms energy: -175.486239
where:
bonds (distance) C4'-P energy: -62.019
bonds (distance) P-C4' energy: -57.466
flat angles C4'-P-C4' energy: -41.811
flat angles P-C4'-P energy: -30.556
tors. eta vs tors. theta energy: 16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1139.453639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.453639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.453639 (E_RNA)
where:
Base-Base interactions energy: -763.945
where: short stacking energy: -338.683
Base-Backbone interact. energy: -0.713
local terms energy: -375.137411
where:
bonds (distance) C4'-P energy: -64.711
bonds (distance) P-C4' energy: -63.400
flat angles C4'-P-C4' energy: -79.524
flat angles P-C4'-P energy: -58.782
tors. eta vs tors. theta energy: -108.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.342 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1139.168473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.168473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.168473 (E_RNA)
where:
Base-Base interactions energy: -781.150
where: short stacking energy: -322.287
Base-Backbone interact. energy: 0.414
local terms energy: -358.432633
where:
bonds (distance) C4'-P energy: -72.318
bonds (distance) P-C4' energy: -60.159
flat angles C4'-P-C4' energy: -72.472
flat angles P-C4'-P energy: -47.672
tors. eta vs tors. theta energy: -105.811
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: 174
Temperature: 1.000000
Total energy: -926.764702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.764702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.764702 (E_RNA)
where:
Base-Base interactions energy: -607.066
where: short stacking energy: -256.904
Base-Backbone interact. energy: -0.595
local terms energy: -319.103616
where:
bonds (distance) C4'-P energy: -57.043
bonds (distance) P-C4' energy: -59.538
flat angles C4'-P-C4' energy: -66.750
flat angles P-C4'-P energy: -54.185
tors. eta vs tors. theta energy: -81.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -890.553052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.553052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.553052 (E_RNA)
where:
Base-Base interactions energy: -564.325
where: short stacking energy: -258.333
Base-Backbone interact. energy: -0.610
local terms energy: -325.617715
where:
bonds (distance) C4'-P energy: -53.588
bonds (distance) P-C4' energy: -71.579
flat angles C4'-P-C4' energy: -79.432
flat angles P-C4'-P energy: -41.645
tors. eta vs tors. theta energy: -79.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -827.661428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.661428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.661428 (E_RNA)
where:
Base-Base interactions energy: -539.221
where: short stacking energy: -244.775
Base-Backbone interact. energy: 0.408
local terms energy: -288.848169
where:
bonds (distance) C4'-P energy: -60.449
bonds (distance) P-C4' energy: -61.756
flat angles C4'-P-C4' energy: -57.641
flat angles P-C4'-P energy: -39.864
tors. eta vs tors. theta energy: -69.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -743.314417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.314417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.314417 (E_RNA)
where:
Base-Base interactions energy: -474.030
where: short stacking energy: -201.411
Base-Backbone interact. energy: 1.147
local terms energy: -270.431700
where:
bonds (distance) C4'-P energy: -55.012
bonds (distance) P-C4' energy: -70.333
flat angles C4'-P-C4' energy: -52.883
flat angles P-C4'-P energy: -40.638
tors. eta vs tors. theta energy: -51.566
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: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -668.314161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.314161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.314161 (E_RNA)
where:
Base-Base interactions energy: -402.141
where: short stacking energy: -198.088
Base-Backbone interact. energy: -1.862
local terms energy: -264.311364
where:
bonds (distance) C4'-P energy: -53.920
bonds (distance) P-C4' energy: -67.361
flat angles C4'-P-C4' energy: -62.077
flat angles P-C4'-P energy: -41.232
tors. eta vs tors. theta energy: -39.721
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: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -535.523985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.523985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.523985 (E_RNA)
where:
Base-Base interactions energy: -316.945
where: short stacking energy: -166.575
Base-Backbone interact. energy: -1.399
local terms energy: -217.180642
where:
bonds (distance) C4'-P energy: -53.948
bonds (distance) P-C4' energy: -46.738
flat angles C4'-P-C4' energy: -52.125
flat angles P-C4'-P energy: -36.370
tors. eta vs tors. theta energy: -28.001
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: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -399.936000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.936000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.936000 (E_RNA)
where:
Base-Base interactions energy: -199.493
where: short stacking energy: -98.622
Base-Backbone interact. energy: -0.977
local terms energy: -199.465593
where:
bonds (distance) C4'-P energy: -57.524
bonds (distance) P-C4' energy: -63.038
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -35.926
tors. eta vs tors. theta energy: 2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -272.431999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.431999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.431999 (E_RNA)
where:
Base-Base interactions energy: -97.336
where: short stacking energy: -95.916
Base-Backbone interact. energy: -0.439
local terms energy: -174.656678
where:
bonds (distance) C4'-P energy: -46.099
bonds (distance) P-C4' energy: -48.078
flat angles C4'-P-C4' energy: -41.337
flat angles P-C4'-P energy: -34.874
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1147.210365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.210365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.210365 (E_RNA)
where:
Base-Base interactions energy: -786.028
where: short stacking energy: -321.560
Base-Backbone interact. energy: -1.405
local terms energy: -359.777241
where:
bonds (distance) C4'-P energy: -68.450
bonds (distance) P-C4' energy: -67.733
flat angles C4'-P-C4' energy: -75.740
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -102.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1136.308414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.308414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.308414 (E_RNA)
where:
Base-Base interactions energy: -789.069
where: short stacking energy: -317.423
Base-Backbone interact. energy: -3.219
local terms energy: -344.020325
where:
bonds (distance) C4'-P energy: -53.043
bonds (distance) P-C4' energy: -58.511
flat angles C4'-P-C4' energy: -76.938
flat angles P-C4'-P energy: -55.402
tors. eta vs tors. theta energy: -100.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -933.215417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.215417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.215417 (E_RNA)
where:
Base-Base interactions energy: -599.914
where: short stacking energy: -269.890
Base-Backbone interact. energy: -1.559
local terms energy: -331.743074
where:
bonds (distance) C4'-P energy: -65.226
bonds (distance) P-C4' energy: -67.975
flat angles C4'-P-C4' energy: -68.989
flat angles P-C4'-P energy: -55.023
tors. eta vs tors. theta energy: -74.531
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: 175
Temperature: 1.050000
Total energy: -867.527748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.527748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.527748 (E_RNA)
where:
Base-Base interactions energy: -555.465
where: short stacking energy: -238.044
Base-Backbone interact. energy: 3.438
local terms energy: -315.804291
where:
bonds (distance) C4'-P energy: -63.281
bonds (distance) P-C4' energy: -64.702
flat angles C4'-P-C4' energy: -68.050
flat angles P-C4'-P energy: -39.622
tors. eta vs tors. theta energy: -80.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.303 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -838.573431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.573431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.573431 (E_RNA)
where:
Base-Base interactions energy: -545.189
where: short stacking energy: -247.500
Base-Backbone interact. energy: -1.209
local terms energy: -292.174509
where:
bonds (distance) C4'-P energy: -50.750
bonds (distance) P-C4' energy: -64.408
flat angles C4'-P-C4' energy: -65.715
flat angles P-C4'-P energy: -45.255
tors. eta vs tors. theta energy: -66.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -750.410285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.410285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.410285 (E_RNA)
where:
Base-Base interactions energy: -474.581
where: short stacking energy: -213.568
Base-Backbone interact. energy: -1.398
local terms energy: -274.430406
where:
bonds (distance) C4'-P energy: -62.033
bonds (distance) P-C4' energy: -57.369
flat angles C4'-P-C4' energy: -57.962
flat angles P-C4'-P energy: -39.932
tors. eta vs tors. theta energy: -57.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -646.535970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.535970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.535970 (E_RNA)
where:
Base-Base interactions energy: -397.590
where: short stacking energy: -192.493
Base-Backbone interact. energy: 0.568
local terms energy: -249.514851
where:
bonds (distance) C4'-P energy: -60.532
bonds (distance) P-C4' energy: -67.446
flat angles C4'-P-C4' energy: -42.044
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -38.699
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: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -596.920302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.920302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.920302 (E_RNA)
where:
Base-Base interactions energy: -354.565
where: short stacking energy: -156.850
Base-Backbone interact. energy: -2.312
local terms energy: -240.043550
where:
bonds (distance) C4'-P energy: -45.958
bonds (distance) P-C4' energy: -63.636
flat angles C4'-P-C4' energy: -53.014
flat angles P-C4'-P energy: -40.529
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: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -426.907807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.907807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.907807 (E_RNA)
where:
Base-Base interactions energy: -221.756
where: short stacking energy: -122.926
Base-Backbone interact. energy: -1.009
local terms energy: -204.143287
where:
bonds (distance) C4'-P energy: -41.108
bonds (distance) P-C4' energy: -63.932
flat angles C4'-P-C4' energy: -59.304
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -16.492
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: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -292.543819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.543819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.543819 (E_RNA)
where:
Base-Base interactions energy: -98.474
where: short stacking energy: -81.424
Base-Backbone interact. energy: -1.226
local terms energy: -193.580980
where:
bonds (distance) C4'-P energy: -45.427
bonds (distance) P-C4' energy: -61.792
flat angles C4'-P-C4' energy: -44.562
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.737 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1156.194562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.194562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.194562 (E_RNA)
where:
Base-Base interactions energy: -788.710
where: short stacking energy: -325.219
Base-Backbone interact. energy: 0.387
local terms energy: -367.871572
where:
bonds (distance) C4'-P energy: -64.156
bonds (distance) P-C4' energy: -65.961
flat angles C4'-P-C4' energy: -78.144
flat angles P-C4'-P energy: -57.194
tors. eta vs tors. theta energy: -102.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1091.153535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.153535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.153535 (E_RNA)
where:
Base-Base interactions energy: -736.058
where: short stacking energy: -322.177
Base-Backbone interact. energy: 4.635
local terms energy: -362.304555
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -73.386
flat angles C4'-P-C4' energy: -80.995
flat angles P-C4'-P energy: -52.404
tors. eta vs tors. theta energy: -99.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.574 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -941.585202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.585202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.585202 (E_RNA)
where:
Base-Base interactions energy: -632.824
where: short stacking energy: -277.470
Base-Backbone interact. energy: -2.371
local terms energy: -306.390535
where:
bonds (distance) C4'-P energy: -62.986
bonds (distance) P-C4' energy: -61.807
flat angles C4'-P-C4' energy: -71.366
flat angles P-C4'-P energy: -41.499
tors. eta vs tors. theta energy: -68.733
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: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -851.459281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.459281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.459281 (E_RNA)
where:
Base-Base interactions energy: -571.101
where: short stacking energy: -252.419
Base-Backbone interact. energy: 0.339
local terms energy: -280.696862
where:
bonds (distance) C4'-P energy: -60.648
bonds (distance) P-C4' energy: -54.098
flat angles C4'-P-C4' energy: -60.958
flat angles P-C4'-P energy: -38.691
tors. eta vs tors. theta energy: -66.302
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: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -820.612318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.612318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.612318 (E_RNA)
where:
Base-Base interactions energy: -554.699
where: short stacking energy: -228.897
Base-Backbone interact. energy: -1.537
local terms energy: -264.377006
where:
bonds (distance) C4'-P energy: -45.918
bonds (distance) P-C4' energy: -57.132
flat angles C4'-P-C4' energy: -65.154
flat angles P-C4'-P energy: -40.514
tors. eta vs tors. theta energy: -55.660
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: 176
Temperature: 1.150000
Total energy: -730.412963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.412963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.412963 (E_RNA)
where:
Base-Base interactions energy: -458.141
where: short stacking energy: -206.767
Base-Backbone interact. energy: -1.480
local terms energy: -270.791934
where:
bonds (distance) C4'-P energy: -57.372
bonds (distance) P-C4' energy: -64.669
flat angles C4'-P-C4' energy: -63.266
flat angles P-C4'-P energy: -37.990
tors. eta vs tors. theta energy: -47.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -640.805356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.805356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.805356 (E_RNA)
where:
Base-Base interactions energy: -395.495
where: short stacking energy: -174.746
Base-Backbone interact. energy: -1.522
local terms energy: -243.787617
where:
bonds (distance) C4'-P energy: -42.323
bonds (distance) P-C4' energy: -64.811
flat angles C4'-P-C4' energy: -55.026
flat angles P-C4'-P energy: -43.857
tors. eta vs tors. theta energy: -37.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -538.795445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.795445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.795445 (E_RNA)
where:
Base-Base interactions energy: -325.763
where: short stacking energy: -170.654
Base-Backbone interact. energy: 2.120
local terms energy: -215.153008
where:
bonds (distance) C4'-P energy: -42.993
bonds (distance) P-C4' energy: -57.099
flat angles C4'-P-C4' energy: -50.029
flat angles P-C4'-P energy: -33.540
tors. eta vs tors. theta energy: -31.493
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: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -413.383518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.383518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.383518 (E_RNA)
where:
Base-Base interactions energy: -224.842
where: short stacking energy: -110.769
Base-Backbone interact. energy: -0.810
local terms energy: -187.731061
where:
bonds (distance) C4'-P energy: -53.987
bonds (distance) P-C4' energy: -60.201
flat angles C4'-P-C4' energy: -48.155
flat angles P-C4'-P energy: -24.025
tors. eta vs tors. theta energy: -1.363
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: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -355.003297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.003297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.003297 (E_RNA)
where:
Base-Base interactions energy: -190.512
where: short stacking energy: -110.375
Base-Backbone interact. energy: -1.339
local terms energy: -163.151390
where:
bonds (distance) C4'-P energy: -39.698
bonds (distance) P-C4' energy: -55.104
flat angles C4'-P-C4' energy: -37.264
flat angles P-C4'-P energy: -27.207
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1141.112811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.112811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.112811 (E_RNA)
where:
Base-Base interactions energy: -764.740
where: short stacking energy: -305.434
Base-Backbone interact. energy: -1.421
local terms energy: -374.952179
where:
bonds (distance) C4'-P energy: -73.973
bonds (distance) P-C4' energy: -76.719
flat angles C4'-P-C4' energy: -74.640
flat angles P-C4'-P energy: -46.149
tors. eta vs tors. theta energy: -103.470
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: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1076.809868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.809868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.809868 (E_RNA)
where:
Base-Base interactions energy: -707.256
where: short stacking energy: -294.694
Base-Backbone interact. energy: 1.335
local terms energy: -370.888528
where:
bonds (distance) C4'-P energy: -71.583
bonds (distance) P-C4' energy: -77.050
flat angles C4'-P-C4' energy: -74.481
flat angles P-C4'-P energy: -55.605
tors. eta vs tors. theta energy: -92.169
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: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -954.270232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.270232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.270232 (E_RNA)
where:
Base-Base interactions energy: -633.795
where: short stacking energy: -268.430
Base-Backbone interact. energy: -2.772
local terms energy: -317.703325
where:
bonds (distance) C4'-P energy: -63.447
bonds (distance) P-C4' energy: -61.602
flat angles C4'-P-C4' energy: -62.002
flat angles P-C4'-P energy: -51.746
tors. eta vs tors. theta energy: -78.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -881.162196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.162196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.162196 (E_RNA)
where:
Base-Base interactions energy: -572.543
where: short stacking energy: -259.700
Base-Backbone interact. energy: 0.625
local terms energy: -309.243935
where:
bonds (distance) C4'-P energy: -62.757
bonds (distance) P-C4' energy: -63.576
flat angles C4'-P-C4' energy: -64.905
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -72.239
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: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -882.350114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.350114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.350114 (E_RNA)
where:
Base-Base interactions energy: -577.684
where: short stacking energy: -245.366
Base-Backbone interact. energy: -0.839
local terms energy: -303.827154
where:
bonds (distance) C4'-P energy: -61.072
bonds (distance) P-C4' energy: -69.464
flat angles C4'-P-C4' energy: -69.385
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -72.468
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: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -715.568604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.568604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.568604 (E_RNA)
where:
Base-Base interactions energy: -456.619
where: short stacking energy: -212.163
Base-Backbone interact. energy: 3.306
local terms energy: -262.255730
where:
bonds (distance) C4'-P energy: -58.944
bonds (distance) P-C4' energy: -61.536
flat angles C4'-P-C4' energy: -50.606
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -49.222
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: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -658.641666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.641666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.641666 (E_RNA)
where:
Base-Base interactions energy: -418.695
where: short stacking energy: -177.163
Base-Backbone interact. energy: -0.761
local terms energy: -239.185216
where:
bonds (distance) C4'-P energy: -59.533
bonds (distance) P-C4' energy: -54.109
flat angles C4'-P-C4' energy: -53.129
flat angles P-C4'-P energy: -34.665
tors. eta vs tors. theta energy: -37.749
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: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -542.395859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.395859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.395859 (E_RNA)
where:
Base-Base interactions energy: -302.990
where: short stacking energy: -149.669
Base-Backbone interact. energy: -0.899
local terms energy: -238.506247
where:
bonds (distance) C4'-P energy: -72.590
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -57.597
flat angles P-C4'-P energy: -30.607
tors. eta vs tors. theta energy: -23.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -397.387815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.387815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.387815 (E_RNA)
where:
Base-Base interactions energy: -195.337
where: short stacking energy: -98.583
Base-Backbone interact. energy: -0.098
local terms energy: -201.952903
where:
bonds (distance) C4'-P energy: -57.247
bonds (distance) P-C4' energy: -53.895
flat angles C4'-P-C4' energy: -53.043
flat angles P-C4'-P energy: -32.984
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -374.514999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.514999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.514999 (E_RNA)
where:
Base-Base interactions energy: -182.095
where: short stacking energy: -99.054
Base-Backbone interact. energy: -1.460
local terms energy: -190.960816
where:
bonds (distance) C4'-P energy: -60.567
bonds (distance) P-C4' energy: -62.485
flat angles C4'-P-C4' energy: -37.825
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1158.062636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.062636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.062636 (E_RNA)
where:
Base-Base interactions energy: -796.759
where: short stacking energy: -321.681
Base-Backbone interact. energy: -2.916
local terms energy: -358.387649
where:
bonds (distance) C4'-P energy: -65.095
bonds (distance) P-C4' energy: -71.026
flat angles C4'-P-C4' energy: -74.502
flat angles P-C4'-P energy: -49.345
tors. eta vs tors. theta energy: -98.420
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: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1106.306651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.306651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.306651 (E_RNA)
where:
Base-Base interactions energy: -758.203
where: short stacking energy: -317.283
Base-Backbone interact. energy: -1.219
local terms energy: -346.884691
where:
bonds (distance) C4'-P energy: -61.147
bonds (distance) P-C4' energy: -68.061
flat angles C4'-P-C4' energy: -70.955
flat angles P-C4'-P energy: -43.223
tors. eta vs tors. theta energy: -103.499
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: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -943.746319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.746319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.746319 (E_RNA)
where:
Base-Base interactions energy: -634.404
where: short stacking energy: -268.530
Base-Backbone interact. energy: -1.295
local terms energy: -308.046538
where:
bonds (distance) C4'-P energy: -58.969
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -65.505
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -75.931
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: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -878.267701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.267701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.267701 (E_RNA)
where:
Base-Base interactions energy: -580.476
where: short stacking energy: -250.716
Base-Backbone interact. energy: -2.451
local terms energy: -295.340692
where:
bonds (distance) C4'-P energy: -61.335
bonds (distance) P-C4' energy: -63.382
flat angles C4'-P-C4' energy: -60.340
flat angles P-C4'-P energy: -45.617
tors. eta vs tors. theta energy: -64.667
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: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -850.972851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.972851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.972851 (E_RNA)
where:
Base-Base interactions energy: -572.991
where: short stacking energy: -245.653
Base-Backbone interact. energy: 1.374
local terms energy: -279.355963
where:
bonds (distance) C4'-P energy: -59.196
bonds (distance) P-C4' energy: -64.334
flat angles C4'-P-C4' energy: -56.167
flat angles P-C4'-P energy: -36.203
tors. eta vs tors. theta energy: -63.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -720.580436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.580436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.580436 (E_RNA)
where:
Base-Base interactions energy: -453.934
where: short stacking energy: -197.000
Base-Backbone interact. energy: -1.789
local terms energy: -264.857589
where:
bonds (distance) C4'-P energy: -56.615
bonds (distance) P-C4' energy: -59.701
flat angles C4'-P-C4' energy: -66.564
flat angles P-C4'-P energy: -42.316
tors. eta vs tors. theta energy: -39.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -631.446084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.446084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.446084 (E_RNA)
where:
Base-Base interactions energy: -368.571
where: short stacking energy: -165.914
Base-Backbone interact. energy: -0.158
local terms energy: -262.716820
where:
bonds (distance) C4'-P energy: -68.711
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -56.626
flat angles P-C4'-P energy: -42.987
tors. eta vs tors. theta energy: -36.578
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: 178
Temperature: 1.250000
Total energy: -522.463662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.463662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.463662 (E_RNA)
where:
Base-Base interactions energy: -276.470
where: short stacking energy: -134.821
Base-Backbone interact. energy: -1.703
local terms energy: -244.290137
where:
bonds (distance) C4'-P energy: -62.001
bonds (distance) P-C4' energy: -64.508
flat angles C4'-P-C4' energy: -61.340
flat angles P-C4'-P energy: -39.865
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: 9, replica: 7
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -384.827358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.827358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.827358 (E_RNA)
where:
Base-Base interactions energy: -190.961
where: short stacking energy: -115.209
Base-Backbone interact. energy: -0.452
local terms energy: -193.414079
where:
bonds (distance) C4'-P energy: -49.751
bonds (distance) P-C4' energy: -65.321
flat angles C4'-P-C4' energy: -41.113
flat angles P-C4'-P energy: -35.204
tors. eta vs tors. theta energy: -2.025
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: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -381.205820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.205820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.205820 (E_RNA)
where:
Base-Base interactions energy: -185.330
where: short stacking energy: -112.271
Base-Backbone interact. energy: 0.375
local terms energy: -196.251049
where:
bonds (distance) C4'-P energy: -58.877
bonds (distance) P-C4' energy: -55.768
flat angles C4'-P-C4' energy: -58.254
flat angles P-C4'-P energy: -25.402
tors. eta vs tors. theta energy: 2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1142.641382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.641382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.641382 (E_RNA)
where:
Base-Base interactions energy: -789.276
where: short stacking energy: -318.758
Base-Backbone interact. energy: -2.063
local terms energy: -351.302156
where:
bonds (distance) C4'-P energy: -61.882
bonds (distance) P-C4' energy: -66.185
flat angles C4'-P-C4' energy: -75.542
flat angles P-C4'-P energy: -44.556
tors. eta vs tors. theta energy: -103.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1130.939141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.939141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.939141 (E_RNA)
where:
Base-Base interactions energy: -763.504
where: short stacking energy: -314.413
Base-Backbone interact. energy: -1.111
local terms energy: -366.368184
where:
bonds (distance) C4'-P energy: -78.197
bonds (distance) P-C4' energy: -53.726
flat angles C4'-P-C4' energy: -78.529
flat angles P-C4'-P energy: -56.341
tors. eta vs tors. theta energy: -99.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -923.517314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.517314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.517314 (E_RNA)
where:
Base-Base interactions energy: -614.107
where: short stacking energy: -259.167
Base-Backbone interact. energy: -0.350
local terms energy: -309.059964
where:
bonds (distance) C4'-P energy: -66.989
bonds (distance) P-C4' energy: -61.889
flat angles C4'-P-C4' energy: -69.020
flat angles P-C4'-P energy: -45.822
tors. eta vs tors. theta energy: -65.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -908.063890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.063890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.063890 (E_RNA)
where:
Base-Base interactions energy: -595.706
where: short stacking energy: -250.864
Base-Backbone interact. energy: -3.568
local terms energy: -308.790425
where:
bonds (distance) C4'-P energy: -54.945
bonds (distance) P-C4' energy: -61.582
flat angles C4'-P-C4' energy: -68.996
flat angles P-C4'-P energy: -43.258
tors. eta vs tors. theta energy: -80.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -862.011753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.011753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.011753 (E_RNA)
where:
Base-Base interactions energy: -563.601
where: short stacking energy: -226.970
Base-Backbone interact. energy: -0.522
local terms energy: -298.194875
where:
bonds (distance) C4'-P energy: -59.371
bonds (distance) P-C4' energy: -58.400
flat angles C4'-P-C4' energy: -66.329
flat angles P-C4'-P energy: -46.079
tors. eta vs tors. theta energy: -68.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.306 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -698.803099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.803099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.803099 (E_RNA)
where:
Base-Base interactions energy: -436.128
where: short stacking energy: -181.107
Base-Backbone interact. energy: -2.058
local terms energy: -260.616868
where:
bonds (distance) C4'-P energy: -51.207
bonds (distance) P-C4' energy: -67.401
flat angles C4'-P-C4' energy: -55.449
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: -38.697
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: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -608.475401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.475401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.475401 (E_RNA)
where:
Base-Base interactions energy: -379.166
where: short stacking energy: -183.892
Base-Backbone interact. energy: -1.651
local terms energy: -227.658406
where:
bonds (distance) C4'-P energy: -56.015
bonds (distance) P-C4' energy: -54.950
flat angles C4'-P-C4' energy: -53.819
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -37.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -574.054977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.054977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.054977 (E_RNA)
where:
Base-Base interactions energy: -328.479
where: short stacking energy: -179.758
Base-Backbone interact. energy: 2.285
local terms energy: -247.861178
where:
bonds (distance) C4'-P energy: -56.017
bonds (distance) P-C4' energy: -61.537
flat angles C4'-P-C4' energy: -48.776
flat angles P-C4'-P energy: -44.687
tors. eta vs tors. theta energy: -36.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -342.418349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.418349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.418349 (E_RNA)
where:
Base-Base interactions energy: -158.503
where: short stacking energy: -102.192
Base-Backbone interact. energy: -1.085
local terms energy: -182.830961
where:
bonds (distance) C4'-P energy: -54.904
bonds (distance) P-C4' energy: -57.558
flat angles C4'-P-C4' energy: -43.357
flat angles P-C4'-P energy: -34.083
tors. eta vs tors. theta energy: 7.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -388.927629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.927629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.927629 (E_RNA)
where:
Base-Base interactions energy: -213.537
where: short stacking energy: -119.937
Base-Backbone interact. energy: 0.446
local terms energy: -175.836542
where:
bonds (distance) C4'-P energy: -36.466
bonds (distance) P-C4' energy: -62.460
flat angles C4'-P-C4' energy: -48.587
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1160.614129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.614129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.614129 (E_RNA)
where:
Base-Base interactions energy: -787.558
where: short stacking energy: -345.399
Base-Backbone interact. energy: -0.216
local terms energy: -372.839778
where:
bonds (distance) C4'-P energy: -63.319
bonds (distance) P-C4' energy: -70.245
flat angles C4'-P-C4' energy: -75.298
flat angles P-C4'-P energy: -53.327
tors. eta vs tors. theta energy: -110.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1139.255278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.255278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.255278 (E_RNA)
where:
Base-Base interactions energy: -772.420
where: short stacking energy: -301.389
Base-Backbone interact. energy: -1.041
local terms energy: -365.793707
where:
bonds (distance) C4'-P energy: -62.828
bonds (distance) P-C4' energy: -76.800
flat angles C4'-P-C4' energy: -72.044
flat angles P-C4'-P energy: -49.065
tors. eta vs tors. theta energy: -105.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -980.394326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.394326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.394326 (E_RNA)
where:
Base-Base interactions energy: -668.989
where: short stacking energy: -265.868
Base-Backbone interact. energy: -1.259
local terms energy: -310.145982
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -63.775
flat angles C4'-P-C4' energy: -69.802
flat angles P-C4'-P energy: -42.146
tors. eta vs tors. theta energy: -78.414
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: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -872.632594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.632594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.632594 (E_RNA)
where:
Base-Base interactions energy: -572.527
where: short stacking energy: -243.355
Base-Backbone interact. energy: -0.364
local terms energy: -299.740914
where:
bonds (distance) C4'-P energy: -65.906
bonds (distance) P-C4' energy: -62.420
flat angles C4'-P-C4' energy: -65.218
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: -66.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -867.157678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.157678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.157678 (E_RNA)
where:
Base-Base interactions energy: -585.657
where: short stacking energy: -241.062
Base-Backbone interact. energy: -0.843
local terms energy: -280.657763
where:
bonds (distance) C4'-P energy: -58.221
bonds (distance) P-C4' energy: -56.076
flat angles C4'-P-C4' energy: -69.521
flat angles P-C4'-P energy: -34.640
tors. eta vs tors. theta energy: -62.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -709.940470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.940470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.940470 (E_RNA)
where:
Base-Base interactions energy: -445.183
where: short stacking energy: -181.655
Base-Backbone interact. energy: -2.246
local terms energy: -262.511564
where:
bonds (distance) C4'-P energy: -58.172
bonds (distance) P-C4' energy: -63.543
flat angles C4'-P-C4' energy: -61.327
flat angles P-C4'-P energy: -47.505
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: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -661.390428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.390428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.390428 (E_RNA)
where:
Base-Base interactions energy: -424.460
where: short stacking energy: -183.521
Base-Backbone interact. energy: -0.692
local terms energy: -236.238817
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -65.475
flat angles C4'-P-C4' energy: -51.794
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -51.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -558.495515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.495515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.495515 (E_RNA)
where:
Base-Base interactions energy: -328.780
where: short stacking energy: -146.490
Base-Backbone interact. energy: 1.329
local terms energy: -231.044003
where:
bonds (distance) C4'-P energy: -65.098
bonds (distance) P-C4' energy: -46.699
flat angles C4'-P-C4' energy: -56.373
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: -29.106
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: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -385.125530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.125530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.125530 (E_RNA)
where:
Base-Base interactions energy: -189.725
where: short stacking energy: -106.986
Base-Backbone interact. energy: -2.065
local terms energy: -193.335264
where:
bonds (distance) C4'-P energy: -42.447
bonds (distance) P-C4' energy: -51.115
flat angles C4'-P-C4' energy: -59.873
flat angles P-C4'-P energy: -34.146
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -274.746774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.746774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.746774 (E_RNA)
where:
Base-Base interactions energy: -117.470
where: short stacking energy: -87.689
Base-Backbone interact. energy: 1.984
local terms energy: -159.260642
where:
bonds (distance) C4'-P energy: -48.866
bonds (distance) P-C4' energy: -55.162
flat angles C4'-P-C4' energy: -50.721
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: 16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1134.792581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.792581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.792581 (E_RNA)
where:
Base-Base interactions energy: -789.289
where: short stacking energy: -320.402
Base-Backbone interact. energy: -0.773
local terms energy: -344.731179
where:
bonds (distance) C4'-P energy: -64.137
bonds (distance) P-C4' energy: -64.503
flat angles C4'-P-C4' energy: -74.934
flat angles P-C4'-P energy: -39.610
tors. eta vs tors. theta energy: -101.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1120.729231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.729231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.729231 (E_RNA)
where:
Base-Base interactions energy: -769.260
where: short stacking energy: -309.885
Base-Backbone interact. energy: -2.207
local terms energy: -349.261751
where:
bonds (distance) C4'-P energy: -60.023
bonds (distance) P-C4' energy: -67.272
flat angles C4'-P-C4' energy: -65.226
flat angles P-C4'-P energy: -52.869
tors. eta vs tors. theta energy: -103.872
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: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -966.588294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.588294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.588294 (E_RNA)
where:
Base-Base interactions energy: -651.302
where: short stacking energy: -268.270
Base-Backbone interact. energy: -1.953
local terms energy: -313.333739
where:
bonds (distance) C4'-P energy: -56.302
bonds (distance) P-C4' energy: -65.799
flat angles C4'-P-C4' energy: -77.560
flat angles P-C4'-P energy: -30.636
tors. eta vs tors. theta energy: -83.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -859.971085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.971085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.971085 (E_RNA)
where:
Base-Base interactions energy: -543.172
where: short stacking energy: -237.729
Base-Backbone interact. energy: -0.533
local terms energy: -316.266230
where:
bonds (distance) C4'-P energy: -67.620
bonds (distance) P-C4' energy: -60.361
flat angles C4'-P-C4' energy: -75.767
flat angles P-C4'-P energy: -47.182
tors. eta vs tors. theta energy: -65.336
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: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -842.809979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.809979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.809979 (E_RNA)
where:
Base-Base interactions energy: -563.472
where: short stacking energy: -208.335
Base-Backbone interact. energy: 1.927
local terms energy: -281.301818
where:
bonds (distance) C4'-P energy: -59.436
bonds (distance) P-C4' energy: -65.463
flat angles C4'-P-C4' energy: -66.889
flat angles P-C4'-P energy: -37.571
tors. eta vs tors. theta energy: -51.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.037 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -714.779859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.779859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.779859 (E_RNA)
where:
Base-Base interactions energy: -456.652
where: short stacking energy: -208.015
Base-Backbone interact. energy: -1.035
local terms energy: -257.092001
where:
bonds (distance) C4'-P energy: -62.082
bonds (distance) P-C4' energy: -55.987
flat angles C4'-P-C4' energy: -60.019
flat angles P-C4'-P energy: -41.379
tors. eta vs tors. theta energy: -37.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -644.243243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.243243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.243243 (E_RNA)
where:
Base-Base interactions energy: -411.197
where: short stacking energy: -185.271
Base-Backbone interact. energy: -0.440
local terms energy: -232.606311
where:
bonds (distance) C4'-P energy: -53.197
bonds (distance) P-C4' energy: -51.605
flat angles C4'-P-C4' energy: -61.942
flat angles P-C4'-P energy: -35.500
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: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -566.068547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.068547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.068547 (E_RNA)
where:
Base-Base interactions energy: -339.223
where: short stacking energy: -161.891
Base-Backbone interact. energy: 0.869
local terms energy: -227.714098
where:
bonds (distance) C4'-P energy: -56.757
bonds (distance) P-C4' energy: -52.699
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -37.191
tors. eta vs tors. theta energy: -26.423
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: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -425.030582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.030582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.030582 (E_RNA)
where:
Base-Base interactions energy: -202.146
where: short stacking energy: -104.781
Base-Backbone interact. energy: -1.151
local terms energy: -221.734196
where:
bonds (distance) C4'-P energy: -55.261
bonds (distance) P-C4' energy: -65.036
flat angles C4'-P-C4' energy: -57.346
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -283.507094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.507094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.507094 (E_RNA)
where:
Base-Base interactions energy: -133.600
where: short stacking energy: -89.171
Base-Backbone interact. energy: 0.072
local terms energy: -149.979105
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -39.713
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1154.399201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.399201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.399201 (E_RNA)
where:
Base-Base interactions energy: -800.873
where: short stacking energy: -333.592
Base-Backbone interact. energy: -1.290
local terms energy: -352.236031
where:
bonds (distance) C4'-P energy: -67.872
bonds (distance) P-C4' energy: -60.809
flat angles C4'-P-C4' energy: -73.560
flat angles P-C4'-P energy: -44.700
tors. eta vs tors. theta energy: -105.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1116.922925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.922925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.922925 (E_RNA)
where:
Base-Base interactions energy: -768.203
where: short stacking energy: -309.131
Base-Backbone interact. energy: 0.191
local terms energy: -348.911412
where:
bonds (distance) C4'-P energy: -63.886
bonds (distance) P-C4' energy: -61.444
flat angles C4'-P-C4' energy: -78.268
flat angles P-C4'-P energy: -46.552
tors. eta vs tors. theta energy: -98.761
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: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -962.367842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.367842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.367842 (E_RNA)
where:
Base-Base interactions energy: -616.202
where: short stacking energy: -256.744
Base-Backbone interact. energy: -3.881
local terms energy: -342.284725
where:
bonds (distance) C4'-P energy: -71.948
bonds (distance) P-C4' energy: -66.080
flat angles C4'-P-C4' energy: -77.124
flat angles P-C4'-P energy: -49.864
tors. eta vs tors. theta energy: -77.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -859.671078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.671078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.671078 (E_RNA)
where:
Base-Base interactions energy: -538.479
where: short stacking energy: -243.381
Base-Backbone interact. energy: -2.659
local terms energy: -318.533118
where:
bonds (distance) C4'-P energy: -69.292
bonds (distance) P-C4' energy: -57.420
flat angles C4'-P-C4' energy: -74.457
flat angles P-C4'-P energy: -43.372
tors. eta vs tors. theta energy: -73.992
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: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -829.975037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.975037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.975037 (E_RNA)
where:
Base-Base interactions energy: -538.707
where: short stacking energy: -244.306
Base-Backbone interact. energy: -1.443
local terms energy: -289.825121
where:
bonds (distance) C4'-P energy: -60.768
bonds (distance) P-C4' energy: -59.999
flat angles C4'-P-C4' energy: -68.892
flat angles P-C4'-P energy: -36.993
tors. eta vs tors. theta energy: -63.172
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: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -745.035475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.035475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.035475 (E_RNA)
where:
Base-Base interactions energy: -460.095
where: short stacking energy: -216.316
Base-Backbone interact. energy: 1.136
local terms energy: -286.076859
where:
bonds (distance) C4'-P energy: -67.272
bonds (distance) P-C4' energy: -62.719
flat angles C4'-P-C4' energy: -54.990
flat angles P-C4'-P energy: -48.181
tors. eta vs tors. theta energy: -52.915
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: 182
Temperature: 1.200000
Total energy: -637.436038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.436038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.436038 (E_RNA)
where:
Base-Base interactions energy: -387.142
where: short stacking energy: -159.394
Base-Backbone interact. energy: -2.611
local terms energy: -247.683031
where:
bonds (distance) C4'-P energy: -64.684
bonds (distance) P-C4' energy: -61.449
flat angles C4'-P-C4' energy: -45.499
flat angles P-C4'-P energy: -46.858
tors. eta vs tors. theta energy: -29.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -530.455829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.455829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.455829 (E_RNA)
where:
Base-Base interactions energy: -307.267
where: short stacking energy: -154.738
Base-Backbone interact. energy: -1.688
local terms energy: -221.500840
where:
bonds (distance) C4'-P energy: -59.713
bonds (distance) P-C4' energy: -60.094
flat angles C4'-P-C4' energy: -45.243
flat angles P-C4'-P energy: -33.414
tors. eta vs tors. theta energy: -23.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -429.964002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.964002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.964002 (E_RNA)
where:
Base-Base interactions energy: -216.506
where: short stacking energy: -105.212
Base-Backbone interact. energy: -2.133
local terms energy: -211.324897
where:
bonds (distance) C4'-P energy: -52.837
bonds (distance) P-C4' energy: -70.545
flat angles C4'-P-C4' energy: -46.753
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -264.212440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.212440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.212440 (E_RNA)
where:
Base-Base interactions energy: -86.397
where: short stacking energy: -77.470
Base-Backbone interact. energy: 1.369
local terms energy: -179.184731
where:
bonds (distance) C4'-P energy: -62.163
bonds (distance) P-C4' energy: -60.141
flat angles C4'-P-C4' energy: -35.590
flat angles P-C4'-P energy: -30.876
tors. eta vs tors. theta energy: 9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1178.062040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.062040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.062040 (E_RNA)
where:
Base-Base interactions energy: -799.904
where: short stacking energy: -328.569
Base-Backbone interact. energy: -3.129
local terms energy: -375.029060
where:
bonds (distance) C4'-P energy: -72.232
bonds (distance) P-C4' energy: -71.045
flat angles C4'-P-C4' energy: -72.633
flat angles P-C4'-P energy: -53.448
tors. eta vs tors. theta energy: -105.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1113.814748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.814748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.814748 (E_RNA)
where:
Base-Base interactions energy: -756.768
where: short stacking energy: -301.610
Base-Backbone interact. energy: -1.277
local terms energy: -355.769419
where:
bonds (distance) C4'-P energy: -58.056
bonds (distance) P-C4' energy: -70.142
flat angles C4'-P-C4' energy: -75.888
flat angles P-C4'-P energy: -49.677
tors. eta vs tors. theta energy: -102.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -973.039303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.039303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.039303 (E_RNA)
where:
Base-Base interactions energy: -659.321
where: short stacking energy: -277.758
Base-Backbone interact. energy: -2.658
local terms energy: -311.059552
where:
bonds (distance) C4'-P energy: -64.792
bonds (distance) P-C4' energy: -68.519
flat angles C4'-P-C4' energy: -65.453
flat angles P-C4'-P energy: -36.254
tors. eta vs tors. theta energy: -76.042
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: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -897.968531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.968531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.968531 (E_RNA)
where:
Base-Base interactions energy: -575.428
where: short stacking energy: -261.704
Base-Backbone interact. energy: -0.764
local terms energy: -321.776292
where:
bonds (distance) C4'-P energy: -64.733
bonds (distance) P-C4' energy: -62.280
flat angles C4'-P-C4' energy: -70.531
flat angles P-C4'-P energy: -44.647
tors. eta vs tors. theta energy: -79.585
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: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -868.126336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.126336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.126336 (E_RNA)
where:
Base-Base interactions energy: -580.846
where: short stacking energy: -258.734
Base-Backbone interact. energy: -0.994
local terms energy: -286.285580
where:
bonds (distance) C4'-P energy: -60.904
bonds (distance) P-C4' energy: -63.585
flat angles C4'-P-C4' energy: -60.207
flat angles P-C4'-P energy: -32.515
tors. eta vs tors. theta energy: -69.074
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: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -735.460746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.460746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.460746 (E_RNA)
where:
Base-Base interactions energy: -463.402
where: short stacking energy: -199.888
Base-Backbone interact. energy: -0.442
local terms energy: -271.616674
where:
bonds (distance) C4'-P energy: -64.868
bonds (distance) P-C4' energy: -59.169
flat angles C4'-P-C4' energy: -60.186
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -45.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -665.505174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.505174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.505174 (E_RNA)
where:
Base-Base interactions energy: -405.652
where: short stacking energy: -187.704
Base-Backbone interact. energy: -2.409
local terms energy: -257.444284
where:
bonds (distance) C4'-P energy: -51.773
bonds (distance) P-C4' energy: -65.479
flat angles C4'-P-C4' energy: -49.382
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -45.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -523.437304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.437304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.437304 (E_RNA)
where:
Base-Base interactions energy: -293.589
where: short stacking energy: -144.080
Base-Backbone interact. energy: -0.100
local terms energy: -229.748058
where:
bonds (distance) C4'-P energy: -56.039
bonds (distance) P-C4' energy: -61.090
flat angles C4'-P-C4' energy: -56.731
flat angles P-C4'-P energy: -31.445
tors. eta vs tors. theta energy: -24.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -374.197125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.197125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.197125 (E_RNA)
where:
Base-Base interactions energy: -171.334
where: short stacking energy: -94.758
Base-Backbone interact. energy: 4.555
local terms energy: -207.417860
where:
bonds (distance) C4'-P energy: -63.759
bonds (distance) P-C4' energy: -55.869
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -33.912
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: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -261.902732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.902732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.902732 (E_RNA)
where:
Base-Base interactions energy: -73.360
where: short stacking energy: -62.079
Base-Backbone interact. energy: -2.348
local terms energy: -186.194925
where:
bonds (distance) C4'-P energy: -50.901
bonds (distance) P-C4' energy: -64.037
flat angles C4'-P-C4' energy: -47.342
flat angles P-C4'-P energy: -37.853
tors. eta vs tors. theta energy: 13.938
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: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1170.993881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.993881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.993881 (E_RNA)
where:
Base-Base interactions energy: -798.800
where: short stacking energy: -337.276
Base-Backbone interact. energy: -0.803
local terms energy: -371.391323
where:
bonds (distance) C4'-P energy: -70.687
bonds (distance) P-C4' energy: -72.246
flat angles C4'-P-C4' energy: -78.973
flat angles P-C4'-P energy: -45.915
tors. eta vs tors. theta energy: -103.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1115.725530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.725530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.725530 (E_RNA)
where:
Base-Base interactions energy: -768.445
where: short stacking energy: -308.963
Base-Backbone interact. energy: -2.085
local terms energy: -345.195260
where:
bonds (distance) C4'-P energy: -67.398
bonds (distance) P-C4' energy: -61.946
flat angles C4'-P-C4' energy: -70.563
flat angles P-C4'-P energy: -51.059
tors. eta vs tors. theta energy: -94.231
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: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -966.281475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.281475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.281475 (E_RNA)
where:
Base-Base interactions energy: -650.950
where: short stacking energy: -269.604
Base-Backbone interact. energy: -1.686
local terms energy: -313.646330
where:
bonds (distance) C4'-P energy: -56.465
bonds (distance) P-C4' energy: -50.014
flat angles C4'-P-C4' energy: -74.664
flat angles P-C4'-P energy: -50.761
tors. eta vs tors. theta energy: -81.743
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: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -877.962804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.962804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.962804 (E_RNA)
where:
Base-Base interactions energy: -578.015
where: short stacking energy: -235.119
Base-Backbone interact. energy: -2.399
local terms energy: -297.549279
where:
bonds (distance) C4'-P energy: -60.688
bonds (distance) P-C4' energy: -59.507
flat angles C4'-P-C4' energy: -68.362
flat angles P-C4'-P energy: -37.773
tors. eta vs tors. theta energy: -71.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -856.734655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.734655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.734655 (E_RNA)
where:
Base-Base interactions energy: -562.873
where: short stacking energy: -239.033
Base-Backbone interact. energy: -0.212
local terms energy: -293.649795
where:
bonds (distance) C4'-P energy: -54.815
bonds (distance) P-C4' energy: -58.570
flat angles C4'-P-C4' energy: -66.236
flat angles P-C4'-P energy: -45.563
tors. eta vs tors. theta energy: -68.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -771.235552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.235552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.235552 (E_RNA)
where:
Base-Base interactions energy: -479.680
where: short stacking energy: -215.044
Base-Backbone interact. energy: -1.277
local terms energy: -290.277903
where:
bonds (distance) C4'-P energy: -61.717
bonds (distance) P-C4' energy: -66.261
flat angles C4'-P-C4' energy: -72.888
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -51.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -643.130517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.130517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.130517 (E_RNA)
where:
Base-Base interactions energy: -399.750
where: short stacking energy: -179.238
Base-Backbone interact. energy: -0.025
local terms energy: -245.614478
where:
bonds (distance) C4'-P energy: -39.631
bonds (distance) P-C4' energy: -58.516
flat angles C4'-P-C4' energy: -65.430
flat angles P-C4'-P energy: -40.214
tors. eta vs tors. theta energy: -41.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.258 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -492.496826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.496826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.496826 (E_RNA)
where:
Base-Base interactions energy: -268.180
where: short stacking energy: -143.377
Base-Backbone interact. energy: 0.173
local terms energy: -224.490358
where:
bonds (distance) C4'-P energy: -48.187
bonds (distance) P-C4' energy: -53.174
flat angles C4'-P-C4' energy: -57.305
flat angles P-C4'-P energy: -44.259
tors. eta vs tors. theta energy: -21.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -364.919932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.919932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.919932 (E_RNA)
where:
Base-Base interactions energy: -176.370
where: short stacking energy: -97.490
Base-Backbone interact. energy: -0.149
local terms energy: -188.400379
where:
bonds (distance) C4'-P energy: -59.459
bonds (distance) P-C4' energy: -59.956
flat angles C4'-P-C4' energy: -45.464
flat angles P-C4'-P energy: -32.320
tors. eta vs tors. theta energy: 8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -313.518542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.518542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.518542 (E_RNA)
where:
Base-Base interactions energy: -151.486
where: short stacking energy: -101.831
Base-Backbone interact. energy: -1.243
local terms energy: -160.788930
where:
bonds (distance) C4'-P energy: -43.172
bonds (distance) P-C4' energy: -52.899
flat angles C4'-P-C4' energy: -49.506
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: 7.561
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: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1157.863421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.863421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.863421 (E_RNA)
where:
Base-Base interactions energy: -791.010
where: short stacking energy: -334.743
Base-Backbone interact. energy: -0.685
local terms energy: -366.168290
where:
bonds (distance) C4'-P energy: -68.094
bonds (distance) P-C4' energy: -67.363
flat angles C4'-P-C4' energy: -77.915
flat angles P-C4'-P energy: -44.078
tors. eta vs tors. theta energy: -108.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1114.521335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.521335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.521335 (E_RNA)
where:
Base-Base interactions energy: -758.901
where: short stacking energy: -325.274
Base-Backbone interact. energy: -0.120
local terms energy: -355.500306
where:
bonds (distance) C4'-P energy: -51.676
bonds (distance) P-C4' energy: -66.697
flat angles C4'-P-C4' energy: -78.535
flat angles P-C4'-P energy: -52.323
tors. eta vs tors. theta energy: -106.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -952.669792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.669792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.669792 (E_RNA)
where:
Base-Base interactions energy: -645.423
where: short stacking energy: -262.029
Base-Backbone interact. energy: -1.378
local terms energy: -305.869006
where:
bonds (distance) C4'-P energy: -61.810
bonds (distance) P-C4' energy: -62.514
flat angles C4'-P-C4' energy: -63.149
flat angles P-C4'-P energy: -42.431
tors. eta vs tors. theta energy: -75.965
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: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -900.545547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.545547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.545547 (E_RNA)
where:
Base-Base interactions energy: -587.150
where: short stacking energy: -251.483
Base-Backbone interact. energy: -0.640
local terms energy: -312.768429
where:
bonds (distance) C4'-P energy: -56.100
bonds (distance) P-C4' energy: -63.716
flat angles C4'-P-C4' energy: -69.225
flat angles P-C4'-P energy: -49.747
tors. eta vs tors. theta energy: -73.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.013 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -843.838633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.838633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.838633 (E_RNA)
where:
Base-Base interactions energy: -559.622
where: short stacking energy: -229.130
Base-Backbone interact. energy: -0.935
local terms energy: -283.280805
where:
bonds (distance) C4'-P energy: -57.401
bonds (distance) P-C4' energy: -70.439
flat angles C4'-P-C4' energy: -54.286
flat angles P-C4'-P energy: -33.968
tors. eta vs tors. theta energy: -67.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -767.578667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.578667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.578667 (E_RNA)
where:
Base-Base interactions energy: -494.902
where: short stacking energy: -220.343
Base-Backbone interact. energy: -0.766
local terms energy: -271.911199
where:
bonds (distance) C4'-P energy: -58.444
bonds (distance) P-C4' energy: -56.237
flat angles C4'-P-C4' energy: -58.625
flat angles P-C4'-P energy: -48.916
tors. eta vs tors. theta energy: -49.689
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: 185
Temperature: 1.200000
Total energy: -626.595195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.595195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.595195 (E_RNA)
where:
Base-Base interactions energy: -382.618
where: short stacking energy: -187.517
Base-Backbone interact. energy: 0.340
local terms energy: -244.316964
where:
bonds (distance) C4'-P energy: -56.524
bonds (distance) P-C4' energy: -59.441
flat angles C4'-P-C4' energy: -57.993
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: -33.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -575.159296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.159296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.159296 (E_RNA)
where:
Base-Base interactions energy: -338.260
where: short stacking energy: -139.437
Base-Backbone interact. energy: 1.140
local terms energy: -238.039105
where:
bonds (distance) C4'-P energy: -53.948
bonds (distance) P-C4' energy: -66.910
flat angles C4'-P-C4' energy: -63.234
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -24.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -442.388912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.388912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.388912 (E_RNA)
where:
Base-Base interactions energy: -237.638
where: short stacking energy: -121.980
Base-Backbone interact. energy: -1.138
local terms energy: -203.613113
where:
bonds (distance) C4'-P energy: -38.744
bonds (distance) P-C4' energy: -58.233
flat angles C4'-P-C4' energy: -60.517
flat angles P-C4'-P energy: -36.792
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -340.464052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.464052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.464052 (E_RNA)
where:
Base-Base interactions energy: -161.954
where: short stacking energy: -97.515
Base-Backbone interact. energy: -2.478
local terms energy: -176.031569
where:
bonds (distance) C4'-P energy: -53.146
bonds (distance) P-C4' energy: -57.090
flat angles C4'-P-C4' energy: -42.275
flat angles P-C4'-P energy: -32.239
tors. eta vs tors. theta energy: 8.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1181.472119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.472119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.472119 (E_RNA)
where:
Base-Base interactions energy: -818.958
where: short stacking energy: -330.378
Base-Backbone interact. energy: 1.199
local terms energy: -363.712985
where:
bonds (distance) C4'-P energy: -64.141
bonds (distance) P-C4' energy: -67.159
flat angles C4'-P-C4' energy: -72.192
flat angles P-C4'-P energy: -53.441
tors. eta vs tors. theta energy: -106.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1112.121221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.121221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.121221 (E_RNA)
where:
Base-Base interactions energy: -765.416
where: short stacking energy: -326.301
Base-Backbone interact. energy: 1.888
local terms energy: -348.592947
where:
bonds (distance) C4'-P energy: -62.970
bonds (distance) P-C4' energy: -60.404
flat angles C4'-P-C4' energy: -70.662
flat angles P-C4'-P energy: -49.481
tors. eta vs tors. theta energy: -105.077
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: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -977.537515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.537515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.537515 (E_RNA)
where:
Base-Base interactions energy: -651.513
where: short stacking energy: -268.250
Base-Backbone interact. energy: -1.166
local terms energy: -324.858346
where:
bonds (distance) C4'-P energy: -65.798
bonds (distance) P-C4' energy: -61.332
flat angles C4'-P-C4' energy: -66.007
flat angles P-C4'-P energy: -50.435
tors. eta vs tors. theta energy: -81.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -934.819745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.819745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.819745 (E_RNA)
where:
Base-Base interactions energy: -608.912
where: short stacking energy: -267.826
Base-Backbone interact. energy: -1.828
local terms energy: -324.186551
where:
bonds (distance) C4'-P energy: -61.958
bonds (distance) P-C4' energy: -63.292
flat angles C4'-P-C4' energy: -73.112
flat angles P-C4'-P energy: -40.634
tors. eta vs tors. theta energy: -85.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.107 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -828.815344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.815344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.815344 (E_RNA)
where:
Base-Base interactions energy: -548.215
where: short stacking energy: -248.202
Base-Backbone interact. energy: -0.338
local terms energy: -280.262592
where:
bonds (distance) C4'-P energy: -52.797
bonds (distance) P-C4' energy: -63.747
flat angles C4'-P-C4' energy: -61.910
flat angles P-C4'-P energy: -35.830
tors. eta vs tors. theta energy: -65.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -766.464207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.464207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.464207 (E_RNA)
where:
Base-Base interactions energy: -495.765
where: short stacking energy: -227.133
Base-Backbone interact. energy: -2.209
local terms energy: -268.490120
where:
bonds (distance) C4'-P energy: -50.075
bonds (distance) P-C4' energy: -68.833
flat angles C4'-P-C4' energy: -62.837
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -60.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -630.032296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.032296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.032296 (E_RNA)
where:
Base-Base interactions energy: -387.399
where: short stacking energy: -175.794
Base-Backbone interact. energy: -1.582
local terms energy: -241.052048
where:
bonds (distance) C4'-P energy: -62.097
bonds (distance) P-C4' energy: -57.011
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -32.286
tors. eta vs tors. theta energy: -41.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -668.612963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.612963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.612963 (E_RNA)
where:
Base-Base interactions energy: -417.516
where: short stacking energy: -177.463
Base-Backbone interact. energy: 6.384
local terms energy: -257.481664
where:
bonds (distance) C4'-P energy: -53.044
bonds (distance) P-C4' energy: -65.498
flat angles C4'-P-C4' energy: -54.074
flat angles P-C4'-P energy: -47.536
tors. eta vs tors. theta energy: -37.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -334.534350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.534350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.534350 (E_RNA)
where:
Base-Base interactions energy: -128.214
where: short stacking energy: -91.843
Base-Backbone interact. energy: -0.143
local terms energy: -206.177430
where:
bonds (distance) C4'-P energy: -50.979
bonds (distance) P-C4' energy: -67.592
flat angles C4'-P-C4' energy: -44.512
flat angles P-C4'-P energy: -41.646
tors. eta vs tors. theta energy: -1.448
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: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -347.785645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.785645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.785645 (E_RNA)
where:
Base-Base interactions energy: -183.399
where: short stacking energy: -99.203
Base-Backbone interact. energy: 4.225
local terms energy: -168.611032
where:
bonds (distance) C4'-P energy: -54.285
bonds (distance) P-C4' energy: -62.114
flat angles C4'-P-C4' energy: -44.279
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: 12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1164.365223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.365223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.365223 (E_RNA)
where:
Base-Base interactions energy: -798.819
where: short stacking energy: -327.524
Base-Backbone interact. energy: -1.080
local terms energy: -364.466169
where:
bonds (distance) C4'-P energy: -68.733
bonds (distance) P-C4' energy: -75.521
flat angles C4'-P-C4' energy: -72.125
flat angles P-C4'-P energy: -41.932
tors. eta vs tors. theta energy: -106.156
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: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1112.332071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.332071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.332071 (E_RNA)
where:
Base-Base interactions energy: -753.092
where: short stacking energy: -311.610
Base-Backbone interact. energy: -0.775
local terms energy: -358.465149
where:
bonds (distance) C4'-P energy: -64.262
bonds (distance) P-C4' energy: -64.949
flat angles C4'-P-C4' energy: -79.688
flat angles P-C4'-P energy: -45.539
tors. eta vs tors. theta energy: -104.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -970.430651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.430651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.430651 (E_RNA)
where:
Base-Base interactions energy: -652.192
where: short stacking energy: -284.584
Base-Backbone interact. energy: -3.102
local terms energy: -315.136688
where:
bonds (distance) C4'-P energy: -53.913
bonds (distance) P-C4' energy: -57.058
flat angles C4'-P-C4' energy: -72.126
flat angles P-C4'-P energy: -50.581
tors. eta vs tors. theta energy: -81.459
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: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -931.313852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.313852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.313852 (E_RNA)
where:
Base-Base interactions energy: -617.801
where: short stacking energy: -277.705
Base-Backbone interact. energy: -0.862
local terms energy: -312.651250
where:
bonds (distance) C4'-P energy: -63.859
bonds (distance) P-C4' energy: -61.759
flat angles C4'-P-C4' energy: -65.886
flat angles P-C4'-P energy: -43.140
tors. eta vs tors. theta energy: -78.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -844.479741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.479741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.479741 (E_RNA)
where:
Base-Base interactions energy: -540.318
where: short stacking energy: -248.793
Base-Backbone interact. energy: -0.949
local terms energy: -303.213140
where:
bonds (distance) C4'-P energy: -55.657
bonds (distance) P-C4' energy: -61.381
flat angles C4'-P-C4' energy: -71.442
flat angles P-C4'-P energy: -46.141
tors. eta vs tors. theta energy: -68.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -757.047631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.047631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.047631 (E_RNA)
where:
Base-Base interactions energy: -486.802
where: short stacking energy: -213.015
Base-Backbone interact. energy: 1.641
local terms energy: -271.886942
where:
bonds (distance) C4'-P energy: -61.216
bonds (distance) P-C4' energy: -58.910
flat angles C4'-P-C4' energy: -67.577
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -54.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -579.380435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.380435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.380435 (E_RNA)
where:
Base-Base interactions energy: -350.997
where: short stacking energy: -165.883
Base-Backbone interact. energy: 0.542
local terms energy: -229.969035
where:
bonds (distance) C4'-P energy: -46.278
bonds (distance) P-C4' energy: -61.346
flat angles C4'-P-C4' energy: -57.136
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -35.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.044 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -656.801538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.801538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.801538 (E_RNA)
where:
Base-Base interactions energy: -428.585
where: short stacking energy: -194.249
Base-Backbone interact. energy: -1.619
local terms energy: -227.577473
where:
bonds (distance) C4'-P energy: -50.954
bonds (distance) P-C4' energy: -53.107
flat angles C4'-P-C4' energy: -59.450
flat angles P-C4'-P energy: -25.511
tors. eta vs tors. theta energy: -38.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.979 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -295.709487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.709487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.709487 (E_RNA)
where:
Base-Base interactions energy: -111.658
where: short stacking energy: -85.993
Base-Backbone interact. energy: 2.753
local terms energy: -186.804886
where:
bonds (distance) C4'-P energy: -61.655
bonds (distance) P-C4' energy: -60.664
flat angles C4'-P-C4' energy: -52.679
flat angles P-C4'-P energy: -15.574
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: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -338.479567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.479567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.479567 (E_RNA)
where:
Base-Base interactions energy: -136.403
where: short stacking energy: -71.943
Base-Backbone interact. energy: 0.448
local terms energy: -202.523675
where:
bonds (distance) C4'-P energy: -55.125
bonds (distance) P-C4' energy: -69.354
flat angles C4'-P-C4' energy: -48.798
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: 4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1155.777123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.777123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.777123 (E_RNA)
where:
Base-Base interactions energy: -780.817
where: short stacking energy: -316.260
Base-Backbone interact. energy: -2.046
local terms energy: -372.913754
where:
bonds (distance) C4'-P energy: -67.126
bonds (distance) P-C4' energy: -80.938
flat angles C4'-P-C4' energy: -72.986
flat angles P-C4'-P energy: -46.085
tors. eta vs tors. theta energy: -105.779
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: 188
Temperature: 0.950000
Total energy: -1120.177544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.177544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.177544 (E_RNA)
where:
Base-Base interactions energy: -763.306
where: short stacking energy: -310.442
Base-Backbone interact. energy: 2.503
local terms energy: -359.596699
where:
bonds (distance) C4'-P energy: -73.043
bonds (distance) P-C4' energy: -70.963
flat angles C4'-P-C4' energy: -77.260
flat angles P-C4'-P energy: -45.324
tors. eta vs tors. theta energy: -93.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.223 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -970.355221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.355221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.355221 (E_RNA)
where:
Base-Base interactions energy: -654.359
where: short stacking energy: -274.279
Base-Backbone interact. energy: -1.940
local terms energy: -314.056217
where:
bonds (distance) C4'-P energy: -56.295
bonds (distance) P-C4' energy: -59.258
flat angles C4'-P-C4' energy: -73.055
flat angles P-C4'-P energy: -49.360
tors. eta vs tors. theta energy: -76.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -943.543001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.543001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.543001 (E_RNA)
where:
Base-Base interactions energy: -626.814
where: short stacking energy: -267.656
Base-Backbone interact. energy: 0.911
local terms energy: -317.639968
where:
bonds (distance) C4'-P energy: -63.214
bonds (distance) P-C4' energy: -65.681
flat angles C4'-P-C4' energy: -63.005
flat angles P-C4'-P energy: -43.525
tors. eta vs tors. theta energy: -82.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -841.689046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.689046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.689046 (E_RNA)
where:
Base-Base interactions energy: -532.300
where: short stacking energy: -242.067
Base-Backbone interact. energy: -0.444
local terms energy: -308.945008
where:
bonds (distance) C4'-P energy: -68.205
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -61.660
flat angles P-C4'-P energy: -47.343
tors. eta vs tors. theta energy: -74.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -759.114241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.114241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.114241 (E_RNA)
where:
Base-Base interactions energy: -494.415
where: short stacking energy: -203.109
Base-Backbone interact. energy: -1.574
local terms energy: -263.124963
where:
bonds (distance) C4'-P energy: -62.955
bonds (distance) P-C4' energy: -67.231
flat angles C4'-P-C4' energy: -46.077
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -53.249
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: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -658.398443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.398443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.398443 (E_RNA)
where:
Base-Base interactions energy: -416.534
where: short stacking energy: -191.174
Base-Backbone interact. energy: 3.553
local terms energy: -245.418182
where:
bonds (distance) C4'-P energy: -51.535
bonds (distance) P-C4' energy: -58.645
flat angles C4'-P-C4' energy: -59.970
flat angles P-C4'-P energy: -44.657
tors. eta vs tors. theta energy: -30.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -591.153880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.153880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.153880 (E_RNA)
where:
Base-Base interactions energy: -337.166
where: short stacking energy: -173.045
Base-Backbone interact. energy: 4.249
local terms energy: -259.358094
where:
bonds (distance) C4'-P energy: -49.906
bonds (distance) P-C4' energy: -64.341
flat angles C4'-P-C4' energy: -60.653
flat angles P-C4'-P energy: -39.238
tors. eta vs tors. theta energy: -45.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.121 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -362.364604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.364604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.364604 (E_RNA)
where:
Base-Base interactions energy: -179.078
where: short stacking energy: -116.081
Base-Backbone interact. energy: -0.840
local terms energy: -182.446962
where:
bonds (distance) C4'-P energy: -38.526
bonds (distance) P-C4' energy: -60.457
flat angles C4'-P-C4' energy: -49.667
flat angles P-C4'-P energy: -34.374
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: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -311.732093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.732093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.732093 (E_RNA)
where:
Base-Base interactions energy: -102.063
where: short stacking energy: -77.313
Base-Backbone interact. energy: -0.311
local terms energy: -209.358212
where:
bonds (distance) C4'-P energy: -61.063
bonds (distance) P-C4' energy: -59.032
flat angles C4'-P-C4' energy: -53.070
flat angles P-C4'-P energy: -37.454
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: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1140.723210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.723210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.723210 (E_RNA)
where:
Base-Base interactions energy: -761.915
where: short stacking energy: -322.132
Base-Backbone interact. energy: 2.473
local terms energy: -381.281185
where:
bonds (distance) C4'-P energy: -70.679
bonds (distance) P-C4' energy: -73.086
flat angles C4'-P-C4' energy: -78.003
flat angles P-C4'-P energy: -51.801
tors. eta vs tors. theta energy: -107.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1120.885972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.885972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.885972 (E_RNA)
where:
Base-Base interactions energy: -759.676
where: short stacking energy: -316.014
Base-Backbone interact. energy: -1.339
local terms energy: -360.316826
where:
bonds (distance) C4'-P energy: -64.592
bonds (distance) P-C4' energy: -70.695
flat angles C4'-P-C4' energy: -73.030
flat angles P-C4'-P energy: -52.784
tors. eta vs tors. theta energy: -99.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.446 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -981.705485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.705485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.705485 (E_RNA)
where:
Base-Base interactions energy: -662.075
where: short stacking energy: -277.766
Base-Backbone interact. energy: -0.979
local terms energy: -318.651023
where:
bonds (distance) C4'-P energy: -61.359
bonds (distance) P-C4' energy: -74.303
flat angles C4'-P-C4' energy: -50.206
flat angles P-C4'-P energy: -49.818
tors. eta vs tors. theta energy: -82.965
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: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -876.055647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.055647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.055647 (E_RNA)
where:
Base-Base interactions energy: -585.053
where: short stacking energy: -249.348
Base-Backbone interact. energy: -0.742
local terms energy: -290.260339
where:
bonds (distance) C4'-P energy: -58.800
bonds (distance) P-C4' energy: -59.484
flat angles C4'-P-C4' energy: -60.323
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: -67.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -840.384786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.384786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.384786 (E_RNA)
where:
Base-Base interactions energy: -551.471
where: short stacking energy: -242.784
Base-Backbone interact. energy: 0.359
local terms energy: -289.272615
where:
bonds (distance) C4'-P energy: -56.534
bonds (distance) P-C4' energy: -63.053
flat angles C4'-P-C4' energy: -64.823
flat angles P-C4'-P energy: -40.353
tors. eta vs tors. theta energy: -64.509
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: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -786.624502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.624502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.624502 (E_RNA)
where:
Base-Base interactions energy: -519.724
where: short stacking energy: -235.009
Base-Backbone interact. energy: -1.087
local terms energy: -265.814032
where:
bonds (distance) C4'-P energy: -54.391
bonds (distance) P-C4' energy: -53.469
flat angles C4'-P-C4' energy: -56.172
flat angles P-C4'-P energy: -42.065
tors. eta vs tors. theta energy: -59.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -691.397951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.397951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.397951 (E_RNA)
where:
Base-Base interactions energy: -430.798
where: short stacking energy: -189.060
Base-Backbone interact. energy: -0.984
local terms energy: -259.784005
where:
bonds (distance) C4'-P energy: -50.482
bonds (distance) P-C4' energy: -58.669
flat angles C4'-P-C4' energy: -65.609
flat angles P-C4'-P energy: -34.566
tors. eta vs tors. theta energy: -50.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.167 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -577.857758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.857758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.857758 (E_RNA)
where:
Base-Base interactions energy: -322.697
where: short stacking energy: -160.410
Base-Backbone interact. energy: 1.983
local terms energy: -257.144355
where:
bonds (distance) C4'-P energy: -58.658
bonds (distance) P-C4' energy: -64.433
flat angles C4'-P-C4' energy: -53.400
flat angles P-C4'-P energy: -47.103
tors. eta vs tors. theta energy: -33.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -373.028600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.028600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.028600 (E_RNA)
where:
Base-Base interactions energy: -171.695
where: short stacking energy: -96.766
Base-Backbone interact. energy: 1.230
local terms energy: -202.563685
where:
bonds (distance) C4'-P energy: -56.651
bonds (distance) P-C4' energy: -61.175
flat angles C4'-P-C4' energy: -46.414
flat angles P-C4'-P energy: -39.698
tors. eta vs tors. theta energy: 1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -276.689059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.689059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.689059 (E_RNA)
where:
Base-Base interactions energy: -92.096
where: short stacking energy: -67.811
Base-Backbone interact. energy: 0.252
local terms energy: -184.844676
where:
bonds (distance) C4'-P energy: -50.257
bonds (distance) P-C4' energy: -62.668
flat angles C4'-P-C4' energy: -50.629
flat angles P-C4'-P energy: -33.565
tors. eta vs tors. theta energy: 12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1153.444686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.444686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.444686 (E_RNA)
where:
Base-Base interactions energy: -789.024
where: short stacking energy: -326.238
Base-Backbone interact. energy: 0.621
local terms energy: -365.042066
where:
bonds (distance) C4'-P energy: -65.610
bonds (distance) P-C4' energy: -71.516
flat angles C4'-P-C4' energy: -68.738
flat angles P-C4'-P energy: -55.669
tors. eta vs tors. theta energy: -103.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1120.586311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.586311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.586311 (E_RNA)
where:
Base-Base interactions energy: -749.356
where: short stacking energy: -314.929
Base-Backbone interact. energy: -0.747
local terms energy: -370.483692
where:
bonds (distance) C4'-P energy: -70.711
bonds (distance) P-C4' energy: -63.363
flat angles C4'-P-C4' energy: -71.732
flat angles P-C4'-P energy: -52.444
tors. eta vs tors. theta energy: -112.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -955.503477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.503477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.503477 (E_RNA)
where:
Base-Base interactions energy: -639.178
where: short stacking energy: -253.106
Base-Backbone interact. energy: 1.745
local terms energy: -318.070245
where:
bonds (distance) C4'-P energy: -69.020
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -68.136
flat angles P-C4'-P energy: -48.702
tors. eta vs tors. theta energy: -80.542
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: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -855.861902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.861902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.861902 (E_RNA)
where:
Base-Base interactions energy: -524.466
where: short stacking energy: -253.946
Base-Backbone interact. energy: -4.075
local terms energy: -327.320805
where:
bonds (distance) C4'-P energy: -63.402
bonds (distance) P-C4' energy: -68.352
flat angles C4'-P-C4' energy: -70.297
flat angles P-C4'-P energy: -52.651
tors. eta vs tors. theta energy: -72.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -845.853513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.853513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.853513 (E_RNA)
where:
Base-Base interactions energy: -530.075
where: short stacking energy: -231.228
Base-Backbone interact. energy: -1.652
local terms energy: -314.126447
where:
bonds (distance) C4'-P energy: -70.447
bonds (distance) P-C4' energy: -61.418
flat angles C4'-P-C4' energy: -67.672
flat angles P-C4'-P energy: -49.127
tors. eta vs tors. theta energy: -65.463
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: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -774.364895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.364895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.364895 (E_RNA)
where:
Base-Base interactions energy: -495.443
where: short stacking energy: -218.415
Base-Backbone interact. energy: -1.741
local terms energy: -277.180512
where:
bonds (distance) C4'-P energy: -65.562
bonds (distance) P-C4' energy: -52.624
flat angles C4'-P-C4' energy: -65.177
flat angles P-C4'-P energy: -37.168
tors. eta vs tors. theta energy: -56.649
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: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -678.589327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.589327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.589327 (E_RNA)
where:
Base-Base interactions energy: -424.710
where: short stacking energy: -178.005
Base-Backbone interact. energy: 0.775
local terms energy: -254.654411
where:
bonds (distance) C4'-P energy: -57.131
bonds (distance) P-C4' energy: -60.596
flat angles C4'-P-C4' energy: -65.529
flat angles P-C4'-P energy: -31.183
tors. eta vs tors. theta energy: -40.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -554.546985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.546985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.546985 (E_RNA)
where:
Base-Base interactions energy: -329.324
where: short stacking energy: -151.286
Base-Backbone interact. energy: 0.318
local terms energy: -227.013565
where:
bonds (distance) C4'-P energy: -54.152
bonds (distance) P-C4' energy: -53.277
flat angles C4'-P-C4' energy: -58.755
flat angles P-C4'-P energy: -28.254
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: 1.472 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -433.186731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.186731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.186731 (E_RNA)
where:
Base-Base interactions energy: -231.098
where: short stacking energy: -111.178
Base-Backbone interact. energy: -1.245
local terms energy: -200.843033
where:
bonds (distance) C4'-P energy: -56.188
bonds (distance) P-C4' energy: -54.999
flat angles C4'-P-C4' energy: -57.078
flat angles P-C4'-P energy: -27.192
tors. eta vs tors. theta energy: -5.386
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: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -279.912236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.912236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.912236 (E_RNA)
where:
Base-Base interactions energy: -95.400
where: short stacking energy: -75.231
Base-Backbone interact. energy: -3.480
local terms energy: -181.032265
where:
bonds (distance) C4'-P energy: -55.167
bonds (distance) P-C4' energy: -67.669
flat angles C4'-P-C4' energy: -41.689
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: 8.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1129.764848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.764848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.764848 (E_RNA)
where:
Base-Base interactions energy: -773.267
where: short stacking energy: -319.972
Base-Backbone interact. energy: -0.969
local terms energy: -355.529139
where:
bonds (distance) C4'-P energy: -72.247
bonds (distance) P-C4' energy: -68.569
flat angles C4'-P-C4' energy: -74.086
flat angles P-C4'-P energy: -41.841
tors. eta vs tors. theta energy: -98.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1139.920697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.920697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.920697 (E_RNA)
where:
Base-Base interactions energy: -769.149
where: short stacking energy: -322.825
Base-Backbone interact. energy: -1.979
local terms energy: -368.950362
where:
bonds (distance) C4'-P energy: -63.696
bonds (distance) P-C4' energy: -69.944
flat angles C4'-P-C4' energy: -75.487
flat angles P-C4'-P energy: -59.917
tors. eta vs tors. theta energy: -99.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.158 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -955.665171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.665171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.665171 (E_RNA)
where:
Base-Base interactions energy: -628.769
where: short stacking energy: -280.908
Base-Backbone interact. energy: -3.216
local terms energy: -323.680856
where:
bonds (distance) C4'-P energy: -68.271
bonds (distance) P-C4' energy: -72.074
flat angles C4'-P-C4' energy: -63.892
flat angles P-C4'-P energy: -45.013
tors. eta vs tors. theta energy: -74.431
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: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -862.996528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.996528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.996528 (E_RNA)
where:
Base-Base interactions energy: -548.291
where: short stacking energy: -252.833
Base-Backbone interact. energy: -1.551
local terms energy: -313.154974
where:
bonds (distance) C4'-P energy: -60.750
bonds (distance) P-C4' energy: -76.300
flat angles C4'-P-C4' energy: -62.788
flat angles P-C4'-P energy: -43.532
tors. eta vs tors. theta energy: -69.784
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: 191
Temperature: 1.100000
Total energy: -841.718596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.718596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.718596 (E_RNA)
where:
Base-Base interactions energy: -541.713
where: short stacking energy: -238.156
Base-Backbone interact. energy: -2.235
local terms energy: -297.771108
where:
bonds (distance) C4'-P energy: -61.052
bonds (distance) P-C4' energy: -60.713
flat angles C4'-P-C4' energy: -56.555
flat angles P-C4'-P energy: -46.900
tors. eta vs tors. theta energy: -72.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -803.699197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.699197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.699197 (E_RNA)
where:
Base-Base interactions energy: -526.184
where: short stacking energy: -224.092
Base-Backbone interact. energy: -1.544
local terms energy: -275.971333
where:
bonds (distance) C4'-P energy: -59.997
bonds (distance) P-C4' energy: -64.990
flat angles C4'-P-C4' energy: -63.282
flat angles P-C4'-P energy: -28.803
tors. eta vs tors. theta energy: -58.900
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: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -702.887662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.887662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.887662 (E_RNA)
where:
Base-Base interactions energy: -434.999
where: short stacking energy: -192.544
Base-Backbone interact. energy: -1.315
local terms energy: -266.573992
where:
bonds (distance) C4'-P energy: -58.497
bonds (distance) P-C4' energy: -60.503
flat angles C4'-P-C4' energy: -61.168
flat angles P-C4'-P energy: -34.753
tors. eta vs tors. theta energy: -51.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -527.365483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.365483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.365483 (E_RNA)
where:
Base-Base interactions energy: -308.128
where: short stacking energy: -138.136
Base-Backbone interact. energy: 0.043
local terms energy: -219.280167
where:
bonds (distance) C4'-P energy: -43.145
bonds (distance) P-C4' energy: -63.632
flat angles C4'-P-C4' energy: -59.008
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -386.379072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.379072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.379072 (E_RNA)
where:
Base-Base interactions energy: -203.282
where: short stacking energy: -111.860
Base-Backbone interact. energy: -0.785
local terms energy: -182.311996
where:
bonds (distance) C4'-P energy: -56.865
bonds (distance) P-C4' energy: -50.372
flat angles C4'-P-C4' energy: -41.396
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -281.880365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.880365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.880365 (E_RNA)
where:
Base-Base interactions energy: -115.558
where: short stacking energy: -80.244
Base-Backbone interact. energy: 0.495
local terms energy: -166.818278
where:
bonds (distance) C4'-P energy: -46.743
bonds (distance) P-C4' energy: -65.164
flat angles C4'-P-C4' energy: -35.994
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: 5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1125.262049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.262049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.262049 (E_RNA)
where:
Base-Base interactions energy: -756.971
where: short stacking energy: -315.481
Base-Backbone interact. energy: -2.955
local terms energy: -365.335553
where:
bonds (distance) C4'-P energy: -61.946
bonds (distance) P-C4' energy: -70.033
flat angles C4'-P-C4' energy: -77.133
flat angles P-C4'-P energy: -54.786
tors. eta vs tors. theta energy: -101.437
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: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1101.781339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.781339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.781339 (E_RNA)
where:
Base-Base interactions energy: -755.009
where: short stacking energy: -307.706
Base-Backbone interact. energy: -0.561
local terms energy: -346.211219
where:
bonds (distance) C4'-P energy: -55.987
bonds (distance) P-C4' energy: -66.655
flat angles C4'-P-C4' energy: -70.151
flat angles P-C4'-P energy: -46.851
tors. eta vs tors. theta energy: -106.568
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: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -929.475823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.475823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.475823 (E_RNA)
where:
Base-Base interactions energy: -588.602
where: short stacking energy: -263.069
Base-Backbone interact. energy: -1.197
local terms energy: -339.676936
where:
bonds (distance) C4'-P energy: -69.798
bonds (distance) P-C4' energy: -68.456
flat angles C4'-P-C4' energy: -79.833
flat angles P-C4'-P energy: -38.584
tors. eta vs tors. theta energy: -83.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -889.909779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.909779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.909779 (E_RNA)
where:
Base-Base interactions energy: -562.700
where: short stacking energy: -257.109
Base-Backbone interact. energy: -0.505
local terms energy: -326.705284
where:
bonds (distance) C4'-P energy: -62.485
bonds (distance) P-C4' energy: -68.423
flat angles C4'-P-C4' energy: -73.879
flat angles P-C4'-P energy: -51.683
tors. eta vs tors. theta energy: -70.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -834.320261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.320261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.320261 (E_RNA)
where:
Base-Base interactions energy: -537.796
where: short stacking energy: -227.433
Base-Backbone interact. energy: -2.736
local terms energy: -293.787762
where:
bonds (distance) C4'-P energy: -64.396
bonds (distance) P-C4' energy: -64.426
flat angles C4'-P-C4' energy: -72.120
flat angles P-C4'-P energy: -34.588
tors. eta vs tors. theta energy: -58.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -783.736982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.736982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.736982 (E_RNA)
where:
Base-Base interactions energy: -525.887
where: short stacking energy: -211.549
Base-Backbone interact. energy: -0.649
local terms energy: -257.201500
where:
bonds (distance) C4'-P energy: -53.437
bonds (distance) P-C4' energy: -62.524
flat angles C4'-P-C4' energy: -58.993
flat angles P-C4'-P energy: -40.464
tors. eta vs tors. theta energy: -41.783
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: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -693.795323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.795323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.795323 (E_RNA)
where:
Base-Base interactions energy: -428.111
where: short stacking energy: -170.133
Base-Backbone interact. energy: -2.436
local terms energy: -263.247905
where:
bonds (distance) C4'-P energy: -58.192
bonds (distance) P-C4' energy: -63.514
flat angles C4'-P-C4' energy: -60.195
flat angles P-C4'-P energy: -39.628
tors. eta vs tors. theta energy: -41.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -541.200271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.200271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.200271 (E_RNA)
where:
Base-Base interactions energy: -306.993
where: short stacking energy: -172.854
Base-Backbone interact. energy: -0.686
local terms energy: -233.521068
where:
bonds (distance) C4'-P energy: -62.669
bonds (distance) P-C4' energy: -41.583
flat angles C4'-P-C4' energy: -54.430
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: -35.628
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: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -427.970830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.970830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.970830 (E_RNA)
where:
Base-Base interactions energy: -218.128
where: short stacking energy: -122.420
Base-Backbone interact. energy: 1.272
local terms energy: -211.115683
where:
bonds (distance) C4'-P energy: -56.172
bonds (distance) P-C4' energy: -60.075
flat angles C4'-P-C4' energy: -52.392
flat angles P-C4'-P energy: -28.701
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -272.814825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.814825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.814825 (E_RNA)
where:
Base-Base interactions energy: -83.537
where: short stacking energy: -57.430
Base-Backbone interact. energy: -1.504
local terms energy: -187.773060
where:
bonds (distance) C4'-P energy: -51.900
bonds (distance) P-C4' energy: -65.638
flat angles C4'-P-C4' energy: -48.698
flat angles P-C4'-P energy: -28.883
tors. eta vs tors. theta energy: 7.346
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: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1119.488919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.488919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.488919 (E_RNA)
where:
Base-Base interactions energy: -756.832
where: short stacking energy: -312.019
Base-Backbone interact. energy: -1.737
local terms energy: -360.919523
where:
bonds (distance) C4'-P energy: -66.919
bonds (distance) P-C4' energy: -64.266
flat angles C4'-P-C4' energy: -78.566
flat angles P-C4'-P energy: -53.039
tors. eta vs tors. theta energy: -98.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1119.986476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.986476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.986476 (E_RNA)
where:
Base-Base interactions energy: -761.556
where: short stacking energy: -322.433
Base-Backbone interact. energy: 6.490
local terms energy: -364.920594
where:
bonds (distance) C4'-P energy: -62.079
bonds (distance) P-C4' energy: -68.552
flat angles C4'-P-C4' energy: -77.453
flat angles P-C4'-P energy: -53.897
tors. eta vs tors. theta energy: -102.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -940.618522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.618522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.618522 (E_RNA)
where:
Base-Base interactions energy: -614.745
where: short stacking energy: -261.122
Base-Backbone interact. energy: 0.524
local terms energy: -326.397119
where:
bonds (distance) C4'-P energy: -65.191
bonds (distance) P-C4' energy: -60.974
flat angles C4'-P-C4' energy: -69.608
flat angles P-C4'-P energy: -49.836
tors. eta vs tors. theta energy: -80.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -891.991522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.991522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.991522 (E_RNA)
where:
Base-Base interactions energy: -588.913
where: short stacking energy: -268.529
Base-Backbone interact. energy: -3.022
local terms energy: -300.057357
where:
bonds (distance) C4'-P energy: -56.995
bonds (distance) P-C4' energy: -64.116
flat angles C4'-P-C4' energy: -67.378
flat angles P-C4'-P energy: -42.869
tors. eta vs tors. theta energy: -68.700
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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -841.293786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.293786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.293786 (E_RNA)
where:
Base-Base interactions energy: -546.572
where: short stacking energy: -226.809
Base-Backbone interact. energy: 2.510
local terms energy: -297.231500
where:
bonds (distance) C4'-P energy: -65.696
bonds (distance) P-C4' energy: -66.086
flat angles C4'-P-C4' energy: -63.892
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: -61.747
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: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -797.046257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.046257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.046257 (E_RNA)
where:
Base-Base interactions energy: -539.509
where: short stacking energy: -214.992
Base-Backbone interact. energy: -0.698
local terms energy: -256.839770
where:
bonds (distance) C4'-P energy: -60.572
bonds (distance) P-C4' energy: -53.465
flat angles C4'-P-C4' energy: -54.387
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -52.522
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: 193
Temperature: 1.200000
Total energy: -756.145487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.145487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.145487 (E_RNA)
where:
Base-Base interactions energy: -481.400
where: short stacking energy: -218.190
Base-Backbone interact. energy: -0.719
local terms energy: -274.026055
where:
bonds (distance) C4'-P energy: -54.433
bonds (distance) P-C4' energy: -69.034
flat angles C4'-P-C4' energy: -65.862
flat angles P-C4'-P energy: -33.561
tors. eta vs tors. theta energy: -51.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -534.621008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.621008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.621008 (E_RNA)
where:
Base-Base interactions energy: -309.012
where: short stacking energy: -137.216
Base-Backbone interact. energy: 2.969
local terms energy: -228.578033
where:
bonds (distance) C4'-P energy: -52.161
bonds (distance) P-C4' energy: -61.071
flat angles C4'-P-C4' energy: -53.409
flat angles P-C4'-P energy: -38.142
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -388.679145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.679145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.679145 (E_RNA)
where:
Base-Base interactions energy: -200.435
where: short stacking energy: -106.870
Base-Backbone interact. energy: -3.319
local terms energy: -184.925028
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -52.505
flat angles C4'-P-C4' energy: -49.140
flat angles P-C4'-P energy: -27.116
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -280.968013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.968013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.968013 (E_RNA)
where:
Base-Base interactions energy: -113.437
where: short stacking energy: -69.247
Base-Backbone interact. energy: 0.006
local terms energy: -167.537805
where:
bonds (distance) C4'-P energy: -58.048
bonds (distance) P-C4' energy: -73.629
flat angles C4'-P-C4' energy: -35.934
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: 24.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1130.143770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.143770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.143770 (E_RNA)
where:
Base-Base interactions energy: -769.512
where: short stacking energy: -324.256
Base-Backbone interact. energy: 0.092
local terms energy: -361.149407
where:
bonds (distance) C4'-P energy: -68.436
bonds (distance) P-C4' energy: -68.578
flat angles C4'-P-C4' energy: -65.687
flat angles P-C4'-P energy: -52.756
tors. eta vs tors. theta energy: -105.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.426 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1091.334742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.334742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.334742 (E_RNA)
where:
Base-Base interactions energy: -751.546
where: short stacking energy: -305.218
Base-Backbone interact. energy: -2.429
local terms energy: -337.359348
where:
bonds (distance) C4'-P energy: -63.539
bonds (distance) P-C4' energy: -63.975
flat angles C4'-P-C4' energy: -69.586
flat angles P-C4'-P energy: -47.999
tors. eta vs tors. theta energy: -92.260
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: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -936.962603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.962603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.962603 (E_RNA)
where:
Base-Base interactions energy: -603.460
where: short stacking energy: -275.129
Base-Backbone interact. energy: 1.906
local terms energy: -335.408825
where:
bonds (distance) C4'-P energy: -70.802
bonds (distance) P-C4' energy: -66.306
flat angles C4'-P-C4' energy: -64.292
flat angles P-C4'-P energy: -56.760
tors. eta vs tors. theta energy: -77.249
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: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -903.233916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.233916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.233916 (E_RNA)
where:
Base-Base interactions energy: -588.750
where: short stacking energy: -262.744
Base-Backbone interact. energy: -1.035
local terms energy: -313.448466
where:
bonds (distance) C4'-P energy: -56.431
bonds (distance) P-C4' energy: -65.227
flat angles C4'-P-C4' energy: -64.599
flat angles P-C4'-P energy: -46.829
tors. eta vs tors. theta energy: -80.363
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: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -796.547135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.547135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.547135 (E_RNA)
where:
Base-Base interactions energy: -520.980
where: short stacking energy: -219.147
Base-Backbone interact. energy: 0.122
local terms energy: -275.689546
where:
bonds (distance) C4'-P energy: -64.427
bonds (distance) P-C4' energy: -67.936
flat angles C4'-P-C4' energy: -58.483
flat angles P-C4'-P energy: -32.194
tors. eta vs tors. theta energy: -52.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -780.037320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.037320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.037320 (E_RNA)
where:
Base-Base interactions energy: -506.859
where: short stacking energy: -217.320
Base-Backbone interact. energy: 0.106
local terms energy: -273.284431
where:
bonds (distance) C4'-P energy: -57.994
bonds (distance) P-C4' energy: -54.778
flat angles C4'-P-C4' energy: -54.370
flat angles P-C4'-P energy: -39.011
tors. eta vs tors. theta energy: -67.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -800.795946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.795946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.795946 (E_RNA)
where:
Base-Base interactions energy: -523.715
where: short stacking energy: -197.349
Base-Backbone interact. energy: -1.700
local terms energy: -275.380969
where:
bonds (distance) C4'-P energy: -52.837
bonds (distance) P-C4' energy: -62.009
flat angles C4'-P-C4' energy: -64.746
flat angles P-C4'-P energy: -49.635
tors. eta vs tors. theta energy: -46.154
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: 8, replica: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -539.902434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.902434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.902434 (E_RNA)
where:
Base-Base interactions energy: -316.268
where: short stacking energy: -136.321
Base-Backbone interact. energy: 1.090
local terms energy: -224.723945
where:
bonds (distance) C4'-P energy: -70.678
bonds (distance) P-C4' energy: -56.997
flat angles C4'-P-C4' energy: -45.701
flat angles P-C4'-P energy: -33.794
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -437.328992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.328992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.328992 (E_RNA)
where:
Base-Base interactions energy: -227.844
where: short stacking energy: -140.033
Base-Backbone interact. energy: 1.244
local terms energy: -210.729168
where:
bonds (distance) C4'-P energy: -61.898
bonds (distance) P-C4' energy: -52.025
flat angles C4'-P-C4' energy: -44.794
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -17.382
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: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -279.652144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.652144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.652144 (E_RNA)
where:
Base-Base interactions energy: -120.928
where: short stacking energy: -89.318
Base-Backbone interact. energy: 3.920
local terms energy: -163.289094
where:
bonds (distance) C4'-P energy: -59.479
bonds (distance) P-C4' energy: -63.212
flat angles C4'-P-C4' energy: -41.731
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: 8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.646 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1143.234803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.234803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.234803 (E_RNA)
where:
Base-Base interactions energy: -788.774
where: short stacking energy: -331.383
Base-Backbone interact. energy: 0.015
local terms energy: -354.475125
where:
bonds (distance) C4'-P energy: -67.014
bonds (distance) P-C4' energy: -68.047
flat angles C4'-P-C4' energy: -76.109
flat angles P-C4'-P energy: -45.672
tors. eta vs tors. theta energy: -97.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1105.444079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.444079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.444079 (E_RNA)
where:
Base-Base interactions energy: -744.297
where: short stacking energy: -297.515
Base-Backbone interact. energy: -0.927
local terms energy: -360.220568
where:
bonds (distance) C4'-P energy: -66.180
bonds (distance) P-C4' energy: -70.031
flat angles C4'-P-C4' energy: -68.343
flat angles P-C4'-P energy: -58.825
tors. eta vs tors. theta energy: -96.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -933.700875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.700875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.700875 (E_RNA)
where:
Base-Base interactions energy: -613.115
where: short stacking energy: -284.263
Base-Backbone interact. energy: -0.707
local terms energy: -319.878425
where:
bonds (distance) C4'-P energy: -63.419
bonds (distance) P-C4' energy: -65.044
flat angles C4'-P-C4' energy: -63.919
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -78.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -899.755758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.755758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.755758 (E_RNA)
where:
Base-Base interactions energy: -581.385
where: short stacking energy: -255.712
Base-Backbone interact. energy: -1.801
local terms energy: -316.569727
where:
bonds (distance) C4'-P energy: -68.464
bonds (distance) P-C4' energy: -67.807
flat angles C4'-P-C4' energy: -61.681
flat angles P-C4'-P energy: -41.968
tors. eta vs tors. theta energy: -76.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -834.773900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.773900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.773900 (E_RNA)
where:
Base-Base interactions energy: -541.783
where: short stacking energy: -227.820
Base-Backbone interact. energy: -1.313
local terms energy: -291.677517
where:
bonds (distance) C4'-P energy: -55.157
bonds (distance) P-C4' energy: -74.463
flat angles C4'-P-C4' energy: -60.837
flat angles P-C4'-P energy: -37.539
tors. eta vs tors. theta energy: -63.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -826.220931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.220931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.220931 (E_RNA)
where:
Base-Base interactions energy: -538.120
where: short stacking energy: -213.088
Base-Backbone interact. energy: -1.936
local terms energy: -286.164084
where:
bonds (distance) C4'-P energy: -61.215
bonds (distance) P-C4' energy: -62.532
flat angles C4'-P-C4' energy: -59.121
flat angles P-C4'-P energy: -41.852
tors. eta vs tors. theta energy: -61.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -736.136849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.136849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.136849 (E_RNA)
where:
Base-Base interactions energy: -478.661
where: short stacking energy: -201.830
Base-Backbone interact. energy: -0.496
local terms energy: -256.980312
where:
bonds (distance) C4'-P energy: -54.998
bonds (distance) P-C4' energy: -68.931
flat angles C4'-P-C4' energy: -51.301
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: -47.464
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: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -532.993231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.993231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.993231 (E_RNA)
where:
Base-Base interactions energy: -323.809
where: short stacking energy: -164.207
Base-Backbone interact. energy: 5.678
local terms energy: -214.862504
where:
bonds (distance) C4'-P energy: -53.551
bonds (distance) P-C4' energy: -52.978
flat angles C4'-P-C4' energy: -52.729
flat angles P-C4'-P energy: -30.201
tors. eta vs tors. theta energy: -25.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -419.707197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.707197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.707197 (E_RNA)
where:
Base-Base interactions energy: -186.056
where: short stacking energy: -102.037
Base-Backbone interact. energy: -1.769
local terms energy: -231.883011
where:
bonds (distance) C4'-P energy: -67.194
bonds (distance) P-C4' energy: -63.312
flat angles C4'-P-C4' energy: -59.403
flat angles P-C4'-P energy: -33.573
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -271.793437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.793437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.793437 (E_RNA)
where:
Base-Base interactions energy: -99.467
where: short stacking energy: -79.973
Base-Backbone interact. energy: 1.815
local terms energy: -174.140922
where:
bonds (distance) C4'-P energy: -56.826
bonds (distance) P-C4' energy: -57.828
flat angles C4'-P-C4' energy: -37.263
flat angles P-C4'-P energy: -25.090
tors. eta vs tors. theta energy: 2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1151.130623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.130623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.130623 (E_RNA)
where:
Base-Base interactions energy: -798.968
where: short stacking energy: -317.537
Base-Backbone interact. energy: -1.109
local terms energy: -351.052983
where:
bonds (distance) C4'-P energy: -62.607
bonds (distance) P-C4' energy: -64.441
flat angles C4'-P-C4' energy: -74.101
flat angles P-C4'-P energy: -58.799
tors. eta vs tors. theta energy: -91.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1108.549698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.549698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.549698 (E_RNA)
where:
Base-Base interactions energy: -759.978
where: short stacking energy: -317.657
Base-Backbone interact. energy: -0.686
local terms energy: -347.886135
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -65.568
flat angles C4'-P-C4' energy: -72.533
flat angles P-C4'-P energy: -48.793
tors. eta vs tors. theta energy: -99.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -926.045314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.045314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.045314 (E_RNA)
where:
Base-Base interactions energy: -611.018
where: short stacking energy: -263.477
Base-Backbone interact. energy: -1.606
local terms energy: -313.421300
where:
bonds (distance) C4'-P energy: -53.703
bonds (distance) P-C4' energy: -63.978
flat angles C4'-P-C4' energy: -69.522
flat angles P-C4'-P energy: -39.891
tors. eta vs tors. theta energy: -86.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -870.047353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.047353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.047353 (E_RNA)
where:
Base-Base interactions energy: -560.652
where: short stacking energy: -247.949
Base-Backbone interact. energy: 1.075
local terms energy: -310.470341
where:
bonds (distance) C4'-P energy: -54.070
bonds (distance) P-C4' energy: -70.389
flat angles C4'-P-C4' energy: -60.646
flat angles P-C4'-P energy: -53.292
tors. eta vs tors. theta energy: -72.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -798.201432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.201432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.201432 (E_RNA)
where:
Base-Base interactions energy: -516.429
where: short stacking energy: -226.419
Base-Backbone interact. energy: -2.310
local terms energy: -279.462328
where:
bonds (distance) C4'-P energy: -55.337
bonds (distance) P-C4' energy: -56.208
flat angles C4'-P-C4' energy: -66.104
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -63.282
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: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -803.001467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.001467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.001467 (E_RNA)
where:
Base-Base interactions energy: -537.311
where: short stacking energy: -220.563
Base-Backbone interact. energy: 0.853
local terms energy: -266.543151
where:
bonds (distance) C4'-P energy: -40.292
bonds (distance) P-C4' energy: -68.000
flat angles C4'-P-C4' energy: -59.421
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -59.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -711.541157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.541157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.541157 (E_RNA)
where:
Base-Base interactions energy: -454.807
where: short stacking energy: -193.689
Base-Backbone interact. energy: -1.265
local terms energy: -255.469283
where:
bonds (distance) C4'-P energy: -59.242
bonds (distance) P-C4' energy: -58.586
flat angles C4'-P-C4' energy: -53.495
flat angles P-C4'-P energy: -33.308
tors. eta vs tors. theta energy: -50.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -496.347282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.347282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.347282 (E_RNA)
where:
Base-Base interactions energy: -283.315
where: short stacking energy: -128.598
Base-Backbone interact. energy: 0.671
local terms energy: -213.703652
where:
bonds (distance) C4'-P energy: -60.943
bonds (distance) P-C4' energy: -60.793
flat angles C4'-P-C4' energy: -51.939
flat angles P-C4'-P energy: -25.396
tors. eta vs tors. theta energy: -14.632
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: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -391.006599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.006599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.006599 (E_RNA)
where:
Base-Base interactions energy: -221.650
where: short stacking energy: -131.489
Base-Backbone interact. energy: -1.380
local terms energy: -167.977192
where:
bonds (distance) C4'-P energy: -43.852
bonds (distance) P-C4' energy: -43.444
flat angles C4'-P-C4' energy: -43.687
flat angles P-C4'-P energy: -23.408
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -277.526950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.526950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.526950 (E_RNA)
where:
Base-Base interactions energy: -86.865
where: short stacking energy: -70.011
Base-Backbone interact. energy: -1.820
local terms energy: -188.842494
where:
bonds (distance) C4'-P energy: -56.214
bonds (distance) P-C4' energy: -54.345
flat angles C4'-P-C4' energy: -51.786
flat angles P-C4'-P energy: -30.182
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: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1156.304416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.304416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.304416 (E_RNA)
where:
Base-Base interactions energy: -791.263
where: short stacking energy: -314.830
Base-Backbone interact. energy: -0.017
local terms energy: -365.025190
where:
bonds (distance) C4'-P energy: -64.979
bonds (distance) P-C4' energy: -68.808
flat angles C4'-P-C4' energy: -79.419
flat angles P-C4'-P energy: -53.082
tors. eta vs tors. theta energy: -98.738
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: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1101.414077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.414077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.414077 (E_RNA)
where:
Base-Base interactions energy: -753.168
where: short stacking energy: -313.112
Base-Backbone interact. energy: -0.912
local terms energy: -347.334248
where:
bonds (distance) C4'-P energy: -61.928
bonds (distance) P-C4' energy: -61.859
flat angles C4'-P-C4' energy: -74.398
flat angles P-C4'-P energy: -52.468
tors. eta vs tors. theta energy: -96.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -937.238442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.238442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.238442 (E_RNA)
where:
Base-Base interactions energy: -624.978
where: short stacking energy: -268.960
Base-Backbone interact. energy: -1.451
local terms energy: -310.809421
where:
bonds (distance) C4'-P energy: -59.285
bonds (distance) P-C4' energy: -65.486
flat angles C4'-P-C4' energy: -67.650
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -81.144
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: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -872.915418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.915418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.915418 (E_RNA)
where:
Base-Base interactions energy: -560.958
where: short stacking energy: -253.235
Base-Backbone interact. energy: -1.579
local terms energy: -310.378481
where:
bonds (distance) C4'-P energy: -58.505
bonds (distance) P-C4' energy: -66.114
flat angles C4'-P-C4' energy: -69.756
flat angles P-C4'-P energy: -40.551
tors. eta vs tors. theta energy: -75.452
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: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -825.731735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.731735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.731735 (E_RNA)
where:
Base-Base interactions energy: -536.148
where: short stacking energy: -244.264
Base-Backbone interact. energy: 1.334
local terms energy: -290.917359
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -65.538
flat angles C4'-P-C4' energy: -70.164
flat angles P-C4'-P energy: -41.115
tors. eta vs tors. theta energy: -63.144
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: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -873.936130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.936130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.936130 (E_RNA)
where:
Base-Base interactions energy: -576.729
where: short stacking energy: -254.882
Base-Backbone interact. energy: 1.394
local terms energy: -298.601064
where:
bonds (distance) C4'-P energy: -55.886
bonds (distance) P-C4' energy: -63.548
flat angles C4'-P-C4' energy: -65.013
flat angles P-C4'-P energy: -47.465
tors. eta vs tors. theta energy: -66.689
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: 197
Temperature: 1.200000
Total energy: -708.805429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.805429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.805429 (E_RNA)
where:
Base-Base interactions energy: -453.578
where: short stacking energy: -198.262
Base-Backbone interact. energy: -0.595
local terms energy: -254.632940
where:
bonds (distance) C4'-P energy: -56.170
bonds (distance) P-C4' energy: -48.881
flat angles C4'-P-C4' energy: -59.546
flat angles P-C4'-P energy: -43.108
tors. eta vs tors. theta energy: -46.928
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: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -412.361306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.361306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.361306 (E_RNA)
where:
Base-Base interactions energy: -204.814
where: short stacking energy: -127.524
Base-Backbone interact. energy: 4.170
local terms energy: -211.717686
where:
bonds (distance) C4'-P energy: -49.589
bonds (distance) P-C4' energy: -57.654
flat angles C4'-P-C4' energy: -52.438
flat angles P-C4'-P energy: -30.303
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -446.334977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.334977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.334977 (E_RNA)
where:
Base-Base interactions energy: -230.574
where: short stacking energy: -118.980
Base-Backbone interact. energy: -1.713
local terms energy: -214.047435
where:
bonds (distance) C4'-P energy: -57.885
bonds (distance) P-C4' energy: -54.571
flat angles C4'-P-C4' energy: -52.937
flat angles P-C4'-P energy: -35.969
tors. eta vs tors. theta energy: -12.685
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: 197
Temperature: 1.350000
Total energy: -282.327566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.327566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.327566 (E_RNA)
where:
Base-Base interactions energy: -102.328
where: short stacking energy: -74.499
Base-Backbone interact. energy: 2.875
local terms energy: -188.599641
where:
bonds (distance) C4'-P energy: -54.115
bonds (distance) P-C4' energy: -65.761
flat angles C4'-P-C4' energy: -49.668
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: 1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 5.725 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1164.486596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.486596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.486596 (E_RNA)
where:
Base-Base interactions energy: -799.409
where: short stacking energy: -332.463
Base-Backbone interact. energy: -0.425
local terms energy: -364.653321
where:
bonds (distance) C4'-P energy: -67.341
bonds (distance) P-C4' energy: -67.840
flat angles C4'-P-C4' energy: -75.344
flat angles P-C4'-P energy: -49.446
tors. eta vs tors. theta energy: -104.682
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: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1125.865013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.865013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.865013 (E_RNA)
where:
Base-Base interactions energy: -761.924
where: short stacking energy: -320.292
Base-Backbone interact. energy: -1.593
local terms energy: -362.348281
where:
bonds (distance) C4'-P energy: -64.669
bonds (distance) P-C4' energy: -66.699
flat angles C4'-P-C4' energy: -76.680
flat angles P-C4'-P energy: -57.756
tors. eta vs tors. theta energy: -96.545
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: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -962.711370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.711370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.711370 (E_RNA)
where:
Base-Base interactions energy: -658.649
where: short stacking energy: -276.415
Base-Backbone interact. energy: 0.039
local terms energy: -304.101419
where:
bonds (distance) C4'-P energy: -66.255
bonds (distance) P-C4' energy: -56.063
flat angles C4'-P-C4' energy: -59.447
flat angles P-C4'-P energy: -44.185
tors. eta vs tors. theta energy: -78.152
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: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -879.779483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.779483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.779483 (E_RNA)
where:
Base-Base interactions energy: -566.517
where: short stacking energy: -241.779
Base-Backbone interact. energy: -0.885
local terms energy: -312.376947
where:
bonds (distance) C4'-P energy: -61.682
bonds (distance) P-C4' energy: -66.993
flat angles C4'-P-C4' energy: -68.644
flat angles P-C4'-P energy: -42.710
tors. eta vs tors. theta energy: -72.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -850.275711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.275711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.275711 (E_RNA)
where:
Base-Base interactions energy: -551.820
where: short stacking energy: -222.108
Base-Backbone interact. energy: -2.203
local terms energy: -296.252587
where:
bonds (distance) C4'-P energy: -54.003
bonds (distance) P-C4' energy: -62.016
flat angles C4'-P-C4' energy: -63.437
flat angles P-C4'-P energy: -49.463
tors. eta vs tors. theta energy: -67.333
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: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -762.404598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.404598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.404598 (E_RNA)
where:
Base-Base interactions energy: -480.040
where: short stacking energy: -222.470
Base-Backbone interact. energy: -1.425
local terms energy: -281.305403
where:
bonds (distance) C4'-P energy: -54.098
bonds (distance) P-C4' energy: -69.066
flat angles C4'-P-C4' energy: -55.100
flat angles P-C4'-P energy: -46.754
tors. eta vs tors. theta energy: -56.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.366 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -729.966118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.966118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.966118 (E_RNA)
where:
Base-Base interactions energy: -461.870
where: short stacking energy: -198.126
Base-Backbone interact. energy: 0.840
local terms energy: -268.936239
where:
bonds (distance) C4'-P energy: -52.744
bonds (distance) P-C4' energy: -57.841
flat angles C4'-P-C4' energy: -70.043
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -50.221
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: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -390.124887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.124887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.124887 (E_RNA)
where:
Base-Base interactions energy: -176.079
where: short stacking energy: -122.764
Base-Backbone interact. energy: -1.017
local terms energy: -213.028796
where:
bonds (distance) C4'-P energy: -53.296
bonds (distance) P-C4' energy: -55.105
flat angles C4'-P-C4' energy: -56.025
flat angles P-C4'-P energy: -34.980
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: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -391.636132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.636132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.636132 (E_RNA)
where:
Base-Base interactions energy: -200.581
where: short stacking energy: -105.430
Base-Backbone interact. energy: -2.774
local terms energy: -188.280616
where:
bonds (distance) C4'-P energy: -56.692
bonds (distance) P-C4' energy: -67.014
flat angles C4'-P-C4' energy: -52.606
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: 1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -251.864372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.864372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.864372 (E_RNA)
where:
Base-Base interactions energy: -71.639
where: short stacking energy: -61.623
Base-Backbone interact. energy: 0.758
local terms energy: -180.983367
where:
bonds (distance) C4'-P energy: -59.069
bonds (distance) P-C4' energy: -65.834
flat angles C4'-P-C4' energy: -55.188
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: 21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1175.415893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.415893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.415893 (E_RNA)
where:
Base-Base interactions energy: -808.903
where: short stacking energy: -328.953
Base-Backbone interact. energy: -0.880
local terms energy: -365.633278
where:
bonds (distance) C4'-P energy: -68.659
bonds (distance) P-C4' energy: -74.479
flat angles C4'-P-C4' energy: -69.234
flat angles P-C4'-P energy: -51.345
tors. eta vs tors. theta energy: -101.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1117.413842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.413842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.413842 (E_RNA)
where:
Base-Base interactions energy: -764.493
where: short stacking energy: -316.493
Base-Backbone interact. energy: -0.679
local terms energy: -352.241639
where:
bonds (distance) C4'-P energy: -68.509
bonds (distance) P-C4' energy: -57.053
flat angles C4'-P-C4' energy: -71.638
flat angles P-C4'-P energy: -51.622
tors. eta vs tors. theta energy: -103.420
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: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -971.137956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.137956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.137956 (E_RNA)
where:
Base-Base interactions energy: -648.144
where: short stacking energy: -278.311
Base-Backbone interact. energy: -0.992
local terms energy: -322.002094
where:
bonds (distance) C4'-P energy: -62.654
bonds (distance) P-C4' energy: -60.462
flat angles C4'-P-C4' energy: -72.902
flat angles P-C4'-P energy: -44.474
tors. eta vs tors. theta energy: -81.511
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: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -917.913836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.913836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.913836 (E_RNA)
where:
Base-Base interactions energy: -620.377
where: short stacking energy: -247.395
Base-Backbone interact. energy: 3.105
local terms energy: -300.641427
where:
bonds (distance) C4'-P energy: -62.823
bonds (distance) P-C4' energy: -66.565
flat angles C4'-P-C4' energy: -62.156
flat angles P-C4'-P energy: -43.245
tors. eta vs tors. theta energy: -65.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -855.019478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.019478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.019478 (E_RNA)
where:
Base-Base interactions energy: -550.438
where: short stacking energy: -236.042
Base-Backbone interact. energy: -1.915
local terms energy: -302.666948
where:
bonds (distance) C4'-P energy: -64.865
bonds (distance) P-C4' energy: -61.323
flat angles C4'-P-C4' energy: -64.976
flat angles P-C4'-P energy: -40.312
tors. eta vs tors. theta energy: -71.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -732.660311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.660311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.660311 (E_RNA)
where:
Base-Base interactions energy: -466.521
where: short stacking energy: -190.197
Base-Backbone interact. energy: -0.504
local terms energy: -265.635756
where:
bonds (distance) C4'-P energy: -64.309
bonds (distance) P-C4' energy: -61.297
flat angles C4'-P-C4' energy: -58.149
flat angles P-C4'-P energy: -40.350
tors. eta vs tors. theta energy: -41.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -748.692931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.692931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.692931 (E_RNA)
where:
Base-Base interactions energy: -481.290
where: short stacking energy: -215.520
Base-Backbone interact. energy: -1.050
local terms energy: -266.352940
where:
bonds (distance) C4'-P energy: -60.107
bonds (distance) P-C4' energy: -56.867
flat angles C4'-P-C4' energy: -70.131
flat angles P-C4'-P energy: -32.986
tors. eta vs tors. theta energy: -46.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -446.107184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.107184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.107184 (E_RNA)
where:
Base-Base interactions energy: -222.475
where: short stacking energy: -120.005
Base-Backbone interact. energy: 2.742
local terms energy: -226.374774
where:
bonds (distance) C4'-P energy: -54.958
bonds (distance) P-C4' energy: -73.778
flat angles C4'-P-C4' energy: -59.146
flat angles P-C4'-P energy: -26.867
tors. eta vs tors. theta energy: -11.625
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: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -344.375498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.375498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.375498 (E_RNA)
where:
Base-Base interactions energy: -161.105
where: short stacking energy: -96.628
Base-Backbone interact. energy: 2.633
local terms energy: -185.903424
where:
bonds (distance) C4'-P energy: -42.655
bonds (distance) P-C4' energy: -62.304
flat angles C4'-P-C4' energy: -56.392
flat angles P-C4'-P energy: -26.765
tors. eta vs tors. theta energy: 2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -265.782131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.782131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.782131 (E_RNA)
where:
Base-Base interactions energy: -82.532
where: short stacking energy: -58.571
Base-Backbone interact. energy: 4.730
local terms energy: -187.980110
where:
bonds (distance) C4'-P energy: -58.054
bonds (distance) P-C4' energy: -57.131
flat angles C4'-P-C4' energy: -50.384
flat angles P-C4'-P energy: -36.063
tors. eta vs tors. theta energy: 13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1169.773934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.773934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.773934 (E_RNA)
where:
Base-Base interactions energy: -806.332
where: short stacking energy: -327.964
Base-Backbone interact. energy: -0.338
local terms energy: -363.103378
where:
bonds (distance) C4'-P energy: -69.939
bonds (distance) P-C4' energy: -65.899
flat angles C4'-P-C4' energy: -79.023
flat angles P-C4'-P energy: -50.851
tors. eta vs tors. theta energy: -97.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1120.616241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.616241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.616241 (E_RNA)
where:
Base-Base interactions energy: -760.067
where: short stacking energy: -303.759
Base-Backbone interact. energy: -1.620
local terms energy: -358.929255
where:
bonds (distance) C4'-P energy: -71.148
bonds (distance) P-C4' energy: -62.814
flat angles C4'-P-C4' energy: -72.519
flat angles P-C4'-P energy: -48.455
tors. eta vs tors. theta energy: -103.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -978.969509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.969509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.969509 (E_RNA)
where:
Base-Base interactions energy: -662.298
where: short stacking energy: -287.007
Base-Backbone interact. energy: -1.573
local terms energy: -315.097922
where:
bonds (distance) C4'-P energy: -60.978
bonds (distance) P-C4' energy: -66.540
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -45.605
tors. eta vs tors. theta energy: -80.198
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: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -914.040672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.040672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.040672 (E_RNA)
where:
Base-Base interactions energy: -606.482
where: short stacking energy: -259.600
Base-Backbone interact. energy: -0.296
local terms energy: -307.262633
where:
bonds (distance) C4'-P energy: -63.701
bonds (distance) P-C4' energy: -64.119
flat angles C4'-P-C4' energy: -61.364
flat angles P-C4'-P energy: -48.404
tors. eta vs tors. theta energy: -69.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -859.063112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.063112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.063112 (E_RNA)
where:
Base-Base interactions energy: -572.528
where: short stacking energy: -241.729
Base-Backbone interact. energy: -0.878
local terms energy: -285.656472
where:
bonds (distance) C4'-P energy: -56.308
bonds (distance) P-C4' energy: -48.553
flat angles C4'-P-C4' energy: -72.242
flat angles P-C4'-P energy: -49.548
tors. eta vs tors. theta energy: -59.005
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: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -706.579402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.579402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.579402 (E_RNA)
where:
Base-Base interactions energy: -430.203
where: short stacking energy: -181.679
Base-Backbone interact. energy: -1.634
local terms energy: -274.742644
where:
bonds (distance) C4'-P energy: -58.961
bonds (distance) P-C4' energy: -64.353
flat angles C4'-P-C4' energy: -66.197
flat angles P-C4'-P energy: -37.136
tors. eta vs tors. theta energy: -48.096
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: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -722.501559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.501559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.501559 (E_RNA)
where:
Base-Base interactions energy: -449.320
where: short stacking energy: -198.370
Base-Backbone interact. energy: 0.003
local terms energy: -273.183811
where:
bonds (distance) C4'-P energy: -56.674
bonds (distance) P-C4' energy: -65.367
flat angles C4'-P-C4' energy: -63.649
flat angles P-C4'-P energy: -37.237
tors. eta vs tors. theta energy: -50.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -455.157795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.157795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.157795 (E_RNA)
where:
Base-Base interactions energy: -243.090
where: short stacking energy: -115.625
Base-Backbone interact. energy: -0.941
local terms energy: -211.127256
where:
bonds (distance) C4'-P energy: -65.163
bonds (distance) P-C4' energy: -42.490
flat angles C4'-P-C4' energy: -57.227
flat angles P-C4'-P energy: -38.498
tors. eta vs tors. theta energy: -7.749
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: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -283.158373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.158373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.158373 (E_RNA)
where:
Base-Base interactions energy: -85.419
where: short stacking energy: -66.479
Base-Backbone interact. energy: 1.825
local terms energy: -199.563753
where:
bonds (distance) C4'-P energy: -57.846
bonds (distance) P-C4' energy: -51.637
flat angles C4'-P-C4' energy: -56.464
flat angles P-C4'-P energy: -37.548
tors. eta vs tors. theta energy: 3.931
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: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -334.385699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.385699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.385699 (E_RNA)
where:
Base-Base interactions energy: -160.484
where: short stacking energy: -82.186
Base-Backbone interact. energy: -1.091
local terms energy: -172.811120
where:
bonds (distance) C4'-P energy: -40.490
bonds (distance) P-C4' energy: -64.491
flat angles C4'-P-C4' energy: -42.598
flat angles P-C4'-P energy: -28.864
tors. eta vs tors. theta energy: 3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1170.467119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.467119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.467119 (E_RNA)
where:
Base-Base interactions energy: -829.164
where: short stacking energy: -324.195
Base-Backbone interact. energy: -1.365
local terms energy: -339.937642
where:
bonds (distance) C4'-P energy: -62.558
bonds (distance) P-C4' energy: -61.251
flat angles C4'-P-C4' energy: -68.931
flat angles P-C4'-P energy: -50.423
tors. eta vs tors. theta energy: -96.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1121.993243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.993243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.993243 (E_RNA)
where:
Base-Base interactions energy: -757.573
where: short stacking energy: -322.281
Base-Backbone interact. energy: -1.095
local terms energy: -363.324721
where:
bonds (distance) C4'-P energy: -63.502
bonds (distance) P-C4' energy: -66.612
flat angles C4'-P-C4' energy: -74.034
flat angles P-C4'-P energy: -51.792
tors. eta vs tors. theta energy: -107.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -957.930207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.930207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.930207 (E_RNA)
where:
Base-Base interactions energy: -624.003
where: short stacking energy: -280.937
Base-Backbone interact. energy: -0.603
local terms energy: -333.323654
where:
bonds (distance) C4'-P energy: -63.172
bonds (distance) P-C4' energy: -65.432
flat angles C4'-P-C4' energy: -66.758
flat angles P-C4'-P energy: -47.541
tors. eta vs tors. theta energy: -90.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -916.918508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.918508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.918508 (E_RNA)
where:
Base-Base interactions energy: -612.392
where: short stacking energy: -262.092
Base-Backbone interact. energy: -0.007
local terms energy: -304.518790
where:
bonds (distance) C4'-P energy: -55.613
bonds (distance) P-C4' energy: -56.923
flat angles C4'-P-C4' energy: -75.578
flat angles P-C4'-P energy: -41.944
tors. eta vs tors. theta energy: -74.461
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: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -855.552475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.552475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.552475 (E_RNA)
where:
Base-Base interactions energy: -574.721
where: short stacking energy: -247.582
Base-Backbone interact. energy: -0.514
local terms energy: -280.317069
where:
bonds (distance) C4'-P energy: -61.247
bonds (distance) P-C4' energy: -43.156
flat angles C4'-P-C4' energy: -63.746
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -65.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -679.316999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.316999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.316999 (E_RNA)
where:
Base-Base interactions energy: -418.303
where: short stacking energy: -209.593
Base-Backbone interact. energy: 0.644
local terms energy: -262.305801
where:
bonds (distance) C4'-P energy: -55.367
bonds (distance) P-C4' energy: -60.043
flat angles C4'-P-C4' energy: -69.376
flat angles P-C4'-P energy: -35.161
tors. eta vs tors. theta energy: -42.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.648 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -706.072021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.072021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.072021 (E_RNA)
where:
Base-Base interactions energy: -457.956
where: short stacking energy: -198.429
Base-Backbone interact. energy: 3.023
local terms energy: -251.138559
where:
bonds (distance) C4'-P energy: -50.484
bonds (distance) P-C4' energy: -48.383
flat angles C4'-P-C4' energy: -55.734
flat angles P-C4'-P energy: -47.462
tors. eta vs tors. theta energy: -49.076
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: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -424.289301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.289301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.289301 (E_RNA)
where:
Base-Base interactions energy: -218.517
where: short stacking energy: -100.637
Base-Backbone interact. energy: 2.750
local terms energy: -208.522112
where:
bonds (distance) C4'-P energy: -67.317
bonds (distance) P-C4' energy: -55.218
flat angles C4'-P-C4' energy: -53.771
flat angles P-C4'-P energy: -28.182
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -284.527795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.527795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.527795 (E_RNA)
where:
Base-Base interactions energy: -77.093
where: short stacking energy: -73.884
Base-Backbone interact. energy: 3.795
local terms energy: -213.378407
where:
bonds (distance) C4'-P energy: -50.822
bonds (distance) P-C4' energy: -73.284
flat angles C4'-P-C4' energy: -56.695
flat angles P-C4'-P energy: -34.926
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: 2.148 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -346.506787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.506787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.506787 (E_RNA)
where:
Base-Base interactions energy: -157.591
where: short stacking energy: -86.964
Base-Backbone interact. energy: -1.371
local terms energy: -187.544875
where:
bonds (distance) C4'-P energy: -62.166
bonds (distance) P-C4' energy: -67.218
flat angles C4'-P-C4' energy: -57.226
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: 19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1152.673006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.673006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.673006 (E_RNA)
where:
Base-Base interactions energy: -784.497
where: short stacking energy: -329.115
Base-Backbone interact. energy: 0.132
local terms energy: -368.307621
where:
bonds (distance) C4'-P energy: -69.933
bonds (distance) P-C4' energy: -71.461
flat angles C4'-P-C4' energy: -79.691
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -103.387
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: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1108.934405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.934405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.934405 (E_RNA)
where:
Base-Base interactions energy: -767.164
where: short stacking energy: -320.570
Base-Backbone interact. energy: -1.069
local terms energy: -340.701481
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -67.374
flat angles C4'-P-C4' energy: -73.729
flat angles P-C4'-P energy: -48.226
tors. eta vs tors. theta energy: -98.071
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: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -972.507353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.507353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.507353 (E_RNA)
where:
Base-Base interactions energy: -667.888
where: short stacking energy: -271.979
Base-Backbone interact. energy: -1.265
local terms energy: -303.354769
where:
bonds (distance) C4'-P energy: -62.378
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -44.946
tors. eta vs tors. theta energy: -80.566
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: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -908.983352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.983352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.983352 (E_RNA)
where:
Base-Base interactions energy: -601.937
where: short stacking energy: -237.106
Base-Backbone interact. energy: -0.043
local terms energy: -307.002960
where:
bonds (distance) C4'-P energy: -65.717
bonds (distance) P-C4' energy: -70.663
flat angles C4'-P-C4' energy: -69.028
flat angles P-C4'-P energy: -30.127
tors. eta vs tors. theta energy: -71.469
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: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -866.734735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.734735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.734735 (E_RNA)
where:
Base-Base interactions energy: -566.569
where: short stacking energy: -248.679
Base-Backbone interact. energy: -1.739
local terms energy: -298.425957
where:
bonds (distance) C4'-P energy: -49.347
bonds (distance) P-C4' energy: -72.419
flat angles C4'-P-C4' energy: -68.656
flat angles P-C4'-P energy: -36.362
tors. eta vs tors. theta energy: -71.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -656.413157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.413157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.413157 (E_RNA)
where:
Base-Base interactions energy: -411.068
where: short stacking energy: -184.431
Base-Backbone interact. energy: -0.981
local terms energy: -244.364499
where:
bonds (distance) C4'-P energy: -44.579
bonds (distance) P-C4' energy: -58.600
flat angles C4'-P-C4' energy: -63.119
flat angles P-C4'-P energy: -41.391
tors. eta vs tors. theta energy: -36.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -701.381041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.381041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.381041 (E_RNA)
where:
Base-Base interactions energy: -457.638
where: short stacking energy: -184.040
Base-Backbone interact. energy: -1.232
local terms energy: -242.510911
where:
bonds (distance) C4'-P energy: -51.090
bonds (distance) P-C4' energy: -57.104
flat angles C4'-P-C4' energy: -54.314
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -41.813
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: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -451.410325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.410325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.410325 (E_RNA)
where:
Base-Base interactions energy: -247.896
where: short stacking energy: -132.727
Base-Backbone interact. energy: 1.429
local terms energy: -204.943453
where:
bonds (distance) C4'-P energy: -56.793
bonds (distance) P-C4' energy: -44.850
flat angles C4'-P-C4' energy: -59.543
flat angles P-C4'-P energy: -31.368
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -386.351205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.351205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.351205 (E_RNA)
where:
Base-Base interactions energy: -195.999
where: short stacking energy: -106.332
Base-Backbone interact. energy: -0.175
local terms energy: -190.176614
where:
bonds (distance) C4'-P energy: -52.257
bonds (distance) P-C4' energy: -58.894
flat angles C4'-P-C4' energy: -53.742
flat angles P-C4'-P energy: -29.011
tors. eta vs tors. theta energy: 3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -252.460011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.460011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.460011 (E_RNA)
where:
Base-Base interactions energy: -76.409
where: short stacking energy: -62.838
Base-Backbone interact. energy: -1.196
local terms energy: -174.855545
where:
bonds (distance) C4'-P energy: -46.723
bonds (distance) P-C4' energy: -55.603
flat angles C4'-P-C4' energy: -44.593
flat angles P-C4'-P energy: -37.436
tors. eta vs tors. theta energy: 9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1152.610799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.610799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.610799 (E_RNA)
where:
Base-Base interactions energy: -785.180
where: short stacking energy: -317.612
Base-Backbone interact. energy: -2.814
local terms energy: -364.617600
where:
bonds (distance) C4'-P energy: -63.649
bonds (distance) P-C4' energy: -65.338
flat angles C4'-P-C4' energy: -78.426
flat angles P-C4'-P energy: -52.689
tors. eta vs tors. theta energy: -104.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1089.362987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.362987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.362987 (E_RNA)
where:
Base-Base interactions energy: -741.875
where: short stacking energy: -307.927
Base-Backbone interact. energy: -0.777
local terms energy: -346.711622
where:
bonds (distance) C4'-P energy: -61.662
bonds (distance) P-C4' energy: -62.445
flat angles C4'-P-C4' energy: -77.272
flat angles P-C4'-P energy: -48.221
tors. eta vs tors. theta energy: -97.111
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: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -987.769321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.769321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.769321 (E_RNA)
where:
Base-Base interactions energy: -668.715
where: short stacking energy: -289.574
Base-Backbone interact. energy: -0.618
local terms energy: -318.435966
where:
bonds (distance) C4'-P energy: -63.579
bonds (distance) P-C4' energy: -54.426
flat angles C4'-P-C4' energy: -67.048
flat angles P-C4'-P energy: -50.724
tors. eta vs tors. theta energy: -82.658
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: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -927.390769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.390769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.390769 (E_RNA)
where:
Base-Base interactions energy: -605.834
where: short stacking energy: -258.506
Base-Backbone interact. energy: -3.044
local terms energy: -318.512802
where:
bonds (distance) C4'-P energy: -66.793
bonds (distance) P-C4' energy: -64.150
flat angles C4'-P-C4' energy: -71.162
flat angles P-C4'-P energy: -49.985
tors. eta vs tors. theta energy: -66.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -873.990891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.990891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.990891 (E_RNA)
where:
Base-Base interactions energy: -574.358
where: short stacking energy: -247.492
Base-Backbone interact. energy: 0.860
local terms energy: -300.493365
where:
bonds (distance) C4'-P energy: -46.116
bonds (distance) P-C4' energy: -66.019
flat angles C4'-P-C4' energy: -66.531
flat angles P-C4'-P energy: -50.396
tors. eta vs tors. theta energy: -71.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -669.115817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.115817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.115817 (E_RNA)
where:
Base-Base interactions energy: -417.879
where: short stacking energy: -166.145
Base-Backbone interact. energy: -1.185
local terms energy: -250.051808
where:
bonds (distance) C4'-P energy: -58.349
bonds (distance) P-C4' energy: -57.522
flat angles C4'-P-C4' energy: -62.299
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -28.285
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: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -604.643255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.643255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.643255 (E_RNA)
where:
Base-Base interactions energy: -348.856
where: short stacking energy: -157.421
Base-Backbone interact. energy: 0.611
local terms energy: -256.398142
where:
bonds (distance) C4'-P energy: -64.612
bonds (distance) P-C4' energy: -70.497
flat angles C4'-P-C4' energy: -63.242
flat angles P-C4'-P energy: -33.286
tors. eta vs tors. theta energy: -24.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -430.060345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.060345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.060345 (E_RNA)
where:
Base-Base interactions energy: -229.938
where: short stacking energy: -112.362
Base-Backbone interact. energy: -0.010
local terms energy: -200.113168
where:
bonds (distance) C4'-P energy: -52.696
bonds (distance) P-C4' energy: -70.082
flat angles C4'-P-C4' energy: -44.489
flat angles P-C4'-P energy: -29.493
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: 9, replica: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -352.378064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.378064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.378064 (E_RNA)
where:
Base-Base interactions energy: -165.245
where: short stacking energy: -115.588
Base-Backbone interact. energy: 0.346
local terms energy: -187.479127
where:
bonds (distance) C4'-P energy: -43.362
bonds (distance) P-C4' energy: -60.063
flat angles C4'-P-C4' energy: -42.336
flat angles P-C4'-P energy: -40.455
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: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -266.067363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.067363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.067363 (E_RNA)
where:
Base-Base interactions energy: -81.223
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.733
local terms energy: -184.111287
where:
bonds (distance) C4'-P energy: -38.742
bonds (distance) P-C4' energy: -57.653
flat angles C4'-P-C4' energy: -58.489
flat angles P-C4'-P energy: -39.809
tors. eta vs tors. theta energy: 10.582
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: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1157.622116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.622116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.622116 (E_RNA)
where:
Base-Base interactions energy: -791.032
where: short stacking energy: -331.523
Base-Backbone interact. energy: -0.553
local terms energy: -366.036927
where:
bonds (distance) C4'-P energy: -70.715
bonds (distance) P-C4' energy: -70.718
flat angles C4'-P-C4' energy: -72.802
flat angles P-C4'-P energy: -49.404
tors. eta vs tors. theta energy: -102.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1110.015688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.015688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.015688 (E_RNA)
where:
Base-Base interactions energy: -756.263
where: short stacking energy: -324.144
Base-Backbone interact. energy: 1.438
local terms energy: -355.190848
where:
bonds (distance) C4'-P energy: -66.660
bonds (distance) P-C4' energy: -67.027
flat angles C4'-P-C4' energy: -75.392
flat angles P-C4'-P energy: -47.219
tors. eta vs tors. theta energy: -98.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -919.127575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.127575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.127575 (E_RNA)
where:
Base-Base interactions energy: -631.003
where: short stacking energy: -264.509
Base-Backbone interact. energy: -1.276
local terms energy: -286.848569
where:
bonds (distance) C4'-P energy: -57.473
bonds (distance) P-C4' energy: -61.146
flat angles C4'-P-C4' energy: -66.205
flat angles P-C4'-P energy: -34.243
tors. eta vs tors. theta energy: -67.782
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: 6
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -919.872943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.872943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.872943 (E_RNA)
where:
Base-Base interactions energy: -618.851
where: short stacking energy: -261.567
Base-Backbone interact. energy: -0.398
local terms energy: -300.623673
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -69.230
flat angles C4'-P-C4' energy: -64.701
flat angles P-C4'-P energy: -46.109
tors. eta vs tors. theta energy: -70.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -879.472738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.472738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.472738 (E_RNA)
where:
Base-Base interactions energy: -576.934
where: short stacking energy: -254.197
Base-Backbone interact. energy: 0.425
local terms energy: -302.964480
where:
bonds (distance) C4'-P energy: -57.951
bonds (distance) P-C4' energy: -69.927
flat angles C4'-P-C4' energy: -66.649
flat angles P-C4'-P energy: -40.839
tors. eta vs tors. theta energy: -67.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -771.406456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.406456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.406456 (E_RNA)
where:
Base-Base interactions energy: -508.192
where: short stacking energy: -211.100
Base-Backbone interact. energy: 0.276
local terms energy: -263.490916
where:
bonds (distance) C4'-P energy: -60.428
bonds (distance) P-C4' energy: -50.744
flat angles C4'-P-C4' energy: -59.526
flat angles P-C4'-P energy: -46.487
tors. eta vs tors. theta energy: -46.306
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: 204
Temperature: 1.200000
Total energy: -598.667371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.667371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.667371 (E_RNA)
where:
Base-Base interactions energy: -342.220
where: short stacking energy: -154.716
Base-Backbone interact. energy: -2.410
local terms energy: -254.036796
where:
bonds (distance) C4'-P energy: -62.638
bonds (distance) P-C4' energy: -59.869
flat angles C4'-P-C4' energy: -63.201
flat angles P-C4'-P energy: -28.212
tors. eta vs tors. theta energy: -40.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -468.762281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.762281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.762281 (E_RNA)
where:
Base-Base interactions energy: -272.791
where: short stacking energy: -134.693
Base-Backbone interact. energy: -0.585
local terms energy: -195.386250
where:
bonds (distance) C4'-P energy: -56.348
bonds (distance) P-C4' energy: -48.712
flat angles C4'-P-C4' energy: -58.040
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -365.437464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.437464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.437464 (E_RNA)
where:
Base-Base interactions energy: -163.824
where: short stacking energy: -97.548
Base-Backbone interact. energy: -0.606
local terms energy: -201.007764
where:
bonds (distance) C4'-P energy: -54.030
bonds (distance) P-C4' energy: -63.281
flat angles C4'-P-C4' energy: -58.066
flat angles P-C4'-P energy: -25.210
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -268.990852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.990852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.990852 (E_RNA)
where:
Base-Base interactions energy: -83.375
where: short stacking energy: -67.725
Base-Backbone interact. energy: 2.275
local terms energy: -187.890607
where:
bonds (distance) C4'-P energy: -52.947
bonds (distance) P-C4' energy: -77.521
flat angles C4'-P-C4' energy: -51.417
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: 16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1157.392473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.392473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.392473 (E_RNA)
where:
Base-Base interactions energy: -788.305
where: short stacking energy: -327.037
Base-Backbone interact. energy: -1.111
local terms energy: -369.156969
where:
bonds (distance) C4'-P energy: -70.985
bonds (distance) P-C4' energy: -57.924
flat angles C4'-P-C4' energy: -78.383
flat angles P-C4'-P energy: -58.157
tors. eta vs tors. theta energy: -103.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.180 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1092.188621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.188621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.188621 (E_RNA)
where:
Base-Base interactions energy: -752.800
where: short stacking energy: -320.931
Base-Backbone interact. energy: -0.471
local terms energy: -338.917862
where:
bonds (distance) C4'-P energy: -56.287
bonds (distance) P-C4' energy: -61.896
flat angles C4'-P-C4' energy: -71.603
flat angles P-C4'-P energy: -51.377
tors. eta vs tors. theta energy: -97.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -968.928298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.928298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.928298 (E_RNA)
where:
Base-Base interactions energy: -658.908
where: short stacking energy: -273.878
Base-Backbone interact. energy: -0.776
local terms energy: -309.243778
where:
bonds (distance) C4'-P energy: -56.725
bonds (distance) P-C4' energy: -65.701
flat angles C4'-P-C4' energy: -67.337
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -75.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -914.896063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.896063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.896063 (E_RNA)
where:
Base-Base interactions energy: -615.232
where: short stacking energy: -250.161
Base-Backbone interact. energy: -1.804
local terms energy: -297.860047
where:
bonds (distance) C4'-P energy: -58.005
bonds (distance) P-C4' energy: -58.889
flat angles C4'-P-C4' energy: -67.172
flat angles P-C4'-P energy: -46.817
tors. eta vs tors. theta energy: -66.977
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: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -868.591496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.591496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.591496 (E_RNA)
where:
Base-Base interactions energy: -567.348
where: short stacking energy: -242.481
Base-Backbone interact. energy: -2.473
local terms energy: -298.770710
where:
bonds (distance) C4'-P energy: -60.756
bonds (distance) P-C4' energy: -65.805
flat angles C4'-P-C4' energy: -63.057
flat angles P-C4'-P energy: -36.822
tors. eta vs tors. theta energy: -72.330
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: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -820.598607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.598607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.598607 (E_RNA)
where:
Base-Base interactions energy: -546.890
where: short stacking energy: -244.402
Base-Backbone interact. energy: -1.917
local terms energy: -271.791888
where:
bonds (distance) C4'-P energy: -49.290
bonds (distance) P-C4' energy: -60.973
flat angles C4'-P-C4' energy: -56.584
flat angles P-C4'-P energy: -48.049
tors. eta vs tors. theta energy: -56.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -611.545331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.545331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.545331 (E_RNA)
where:
Base-Base interactions energy: -356.769
where: short stacking energy: -160.186
Base-Backbone interact. energy: -1.724
local terms energy: -253.052783
where:
bonds (distance) C4'-P energy: -58.032
bonds (distance) P-C4' energy: -66.480
flat angles C4'-P-C4' energy: -59.008
flat angles P-C4'-P energy: -31.374
tors. eta vs tors. theta energy: -38.158
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: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -388.498814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.498814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.498814 (E_RNA)
where:
Base-Base interactions energy: -182.305
where: short stacking energy: -116.769
Base-Backbone interact. energy: -3.268
local terms energy: -202.926463
where:
bonds (distance) C4'-P energy: -55.106
bonds (distance) P-C4' energy: -59.992
flat angles C4'-P-C4' energy: -49.614
flat angles P-C4'-P energy: -29.421
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -436.606193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.606193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.606193 (E_RNA)
where:
Base-Base interactions energy: -224.800
where: short stacking energy: -136.071
Base-Backbone interact. energy: 0.440
local terms energy: -212.246755
where:
bonds (distance) C4'-P energy: -56.251
bonds (distance) P-C4' energy: -64.993
flat angles C4'-P-C4' energy: -52.823
flat angles P-C4'-P energy: -33.291
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: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -269.035690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.035690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.035690 (E_RNA)
where:
Base-Base interactions energy: -85.565
where: short stacking energy: -68.384
Base-Backbone interact. energy: -1.527
local terms energy: -181.943851
where:
bonds (distance) C4'-P energy: -47.467
bonds (distance) P-C4' energy: -48.436
flat angles C4'-P-C4' energy: -63.139
flat angles P-C4'-P energy: -34.364
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: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1146.919179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.919179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.919179 (E_RNA)
where:
Base-Base interactions energy: -798.207
where: short stacking energy: -314.214
Base-Backbone interact. energy: 0.127
local terms energy: -348.839454
where:
bonds (distance) C4'-P energy: -61.410
bonds (distance) P-C4' energy: -66.413
flat angles C4'-P-C4' energy: -78.980
flat angles P-C4'-P energy: -42.365
tors. eta vs tors. theta energy: -99.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1101.192380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.192380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.192380 (E_RNA)
where:
Base-Base interactions energy: -749.765
where: short stacking energy: -325.638
Base-Backbone interact. energy: 0.005
local terms energy: -351.431973
where:
bonds (distance) C4'-P energy: -62.180
bonds (distance) P-C4' energy: -60.286
flat angles C4'-P-C4' energy: -74.377
flat angles P-C4'-P energy: -52.130
tors. eta vs tors. theta energy: -102.460
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: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -989.947521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.947521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.947521 (E_RNA)
where:
Base-Base interactions energy: -663.913
where: short stacking energy: -291.382
Base-Backbone interact. energy: -0.857
local terms energy: -325.176957
where:
bonds (distance) C4'-P energy: -59.082
bonds (distance) P-C4' energy: -53.978
flat angles C4'-P-C4' energy: -75.452
flat angles P-C4'-P energy: -57.283
tors. eta vs tors. theta energy: -79.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -921.083823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.083823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.083823 (E_RNA)
where:
Base-Base interactions energy: -606.409
where: short stacking energy: -245.906
Base-Backbone interact. energy: -0.352
local terms energy: -314.323315
where:
bonds (distance) C4'-P energy: -63.312
bonds (distance) P-C4' energy: -67.533
flat angles C4'-P-C4' energy: -58.837
flat angles P-C4'-P energy: -50.875
tors. eta vs tors. theta energy: -73.766
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: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -871.400154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.400154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.400154 (E_RNA)
where:
Base-Base interactions energy: -578.293
where: short stacking energy: -248.956
Base-Backbone interact. energy: -1.450
local terms energy: -291.658664
where:
bonds (distance) C4'-P energy: -60.227
bonds (distance) P-C4' energy: -64.977
flat angles C4'-P-C4' energy: -59.635
flat angles P-C4'-P energy: -40.054
tors. eta vs tors. theta energy: -66.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.002 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -816.632920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.632920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.632920 (E_RNA)
where:
Base-Base interactions energy: -549.885
where: short stacking energy: -247.609
Base-Backbone interact. energy: 1.431
local terms energy: -268.178874
where:
bonds (distance) C4'-P energy: -53.753
bonds (distance) P-C4' energy: -64.467
flat angles C4'-P-C4' energy: -56.080
flat angles P-C4'-P energy: -33.471
tors. eta vs tors. theta energy: -60.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -592.169923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.169923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.169923 (E_RNA)
where:
Base-Base interactions energy: -361.949
where: short stacking energy: -148.496
Base-Backbone interact. energy: -1.020
local terms energy: -229.645134
where:
bonds (distance) C4'-P energy: -60.732
bonds (distance) P-C4' energy: -52.718
flat angles C4'-P-C4' energy: -59.499
flat angles P-C4'-P energy: -33.752
tors. eta vs tors. theta energy: -22.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.445 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -403.964164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.964164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.964164 (E_RNA)
where:
Base-Base interactions energy: -206.714
where: short stacking energy: -104.185
Base-Backbone interact. energy: 1.870
local terms energy: -199.119595
where:
bonds (distance) C4'-P energy: -52.389
bonds (distance) P-C4' energy: -64.199
flat angles C4'-P-C4' energy: -49.739
flat angles P-C4'-P energy: -27.674
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -421.072338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.072338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.072338 (E_RNA)
where:
Base-Base interactions energy: -217.640
where: short stacking energy: -95.942
Base-Backbone interact. energy: -1.674
local terms energy: -201.758140
where:
bonds (distance) C4'-P energy: -49.775
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -62.362
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: -4.271
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: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -268.583256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.583256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.583256 (E_RNA)
where:
Base-Base interactions energy: -106.558
where: short stacking energy: -84.413
Base-Backbone interact. energy: 5.016
local terms energy: -167.040631
where:
bonds (distance) C4'-P energy: -48.038
bonds (distance) P-C4' energy: -44.992
flat angles C4'-P-C4' energy: -47.091
flat angles P-C4'-P energy: -31.203
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: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1133.482296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.482296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.482296 (E_RNA)
where:
Base-Base interactions energy: -765.894
where: short stacking energy: -317.917
Base-Backbone interact. energy: 0.451
local terms energy: -368.039668
where:
bonds (distance) C4'-P energy: -73.179
bonds (distance) P-C4' energy: -74.779
flat angles C4'-P-C4' energy: -70.365
flat angles P-C4'-P energy: -53.362
tors. eta vs tors. theta energy: -96.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1098.196944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.196944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.196944 (E_RNA)
where:
Base-Base interactions energy: -747.919
where: short stacking energy: -321.694
Base-Backbone interact. energy: 4.699
local terms energy: -354.976063
where:
bonds (distance) C4'-P energy: -68.048
bonds (distance) P-C4' energy: -56.429
flat angles C4'-P-C4' energy: -66.903
flat angles P-C4'-P energy: -58.373
tors. eta vs tors. theta energy: -105.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -965.179699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.179699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.179699 (E_RNA)
where:
Base-Base interactions energy: -649.196
where: short stacking energy: -280.180
Base-Backbone interact. energy: 3.754
local terms energy: -319.737892
where:
bonds (distance) C4'-P energy: -50.754
bonds (distance) P-C4' energy: -66.235
flat angles C4'-P-C4' energy: -74.819
flat angles P-C4'-P energy: -48.384
tors. eta vs tors. theta energy: -79.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -936.043297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.043297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.043297 (E_RNA)
where:
Base-Base interactions energy: -632.851
where: short stacking energy: -272.601
Base-Backbone interact. energy: -0.635
local terms energy: -303.258330
where:
bonds (distance) C4'-P energy: -69.983
bonds (distance) P-C4' energy: -60.402
flat angles C4'-P-C4' energy: -65.865
flat angles P-C4'-P energy: -31.721
tors. eta vs tors. theta energy: -75.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.701 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -856.145120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.145120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.145120 (E_RNA)
where:
Base-Base interactions energy: -568.719
where: short stacking energy: -247.623
Base-Backbone interact. energy: 0.571
local terms energy: -287.996409
where:
bonds (distance) C4'-P energy: -56.385
bonds (distance) P-C4' energy: -59.499
flat angles C4'-P-C4' energy: -70.255
flat angles P-C4'-P energy: -29.458
tors. eta vs tors. theta energy: -72.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -780.019077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.019077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.019077 (E_RNA)
where:
Base-Base interactions energy: -505.166
where: short stacking energy: -219.505
Base-Backbone interact. energy: -2.704
local terms energy: -272.149153
where:
bonds (distance) C4'-P energy: -53.610
bonds (distance) P-C4' energy: -59.196
flat angles C4'-P-C4' energy: -65.439
flat angles P-C4'-P energy: -39.764
tors. eta vs tors. theta energy: -54.141
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: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -593.409595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.409595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.409595 (E_RNA)
where:
Base-Base interactions energy: -358.630
where: short stacking energy: -157.514
Base-Backbone interact. energy: -1.185
local terms energy: -233.593919
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -59.517
flat angles P-C4'-P energy: -38.588
tors. eta vs tors. theta energy: -31.813
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: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -469.660277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.660277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.660277 (E_RNA)
where:
Base-Base interactions energy: -256.358
where: short stacking energy: -132.694
Base-Backbone interact. energy: -0.694
local terms energy: -212.608038
where:
bonds (distance) C4'-P energy: -44.655
bonds (distance) P-C4' energy: -59.507
flat angles C4'-P-C4' energy: -51.061
flat angles P-C4'-P energy: -31.797
tors. eta vs tors. theta energy: -25.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -362.619850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.619850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.619850 (E_RNA)
where:
Base-Base interactions energy: -165.062
where: short stacking energy: -85.834
Base-Backbone interact. energy: 1.397
local terms energy: -198.954680
where:
bonds (distance) C4'-P energy: -55.173
bonds (distance) P-C4' energy: -60.606
flat angles C4'-P-C4' energy: -54.748
flat angles P-C4'-P energy: -31.202
tors. eta vs tors. theta energy: 2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -261.173409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.173409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.173409 (E_RNA)
where:
Base-Base interactions energy: -84.060
where: short stacking energy: -59.483
Base-Backbone interact. energy: 1.377
local terms energy: -178.490425
where:
bonds (distance) C4'-P energy: -55.599
bonds (distance) P-C4' energy: -66.357
flat angles C4'-P-C4' energy: -54.889
flat angles P-C4'-P energy: -26.366
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: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1163.850967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.850967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.850967 (E_RNA)
where:
Base-Base interactions energy: -803.333
where: short stacking energy: -307.883
Base-Backbone interact. energy: -0.143
local terms energy: -360.374459
where:
bonds (distance) C4'-P energy: -55.197
bonds (distance) P-C4' energy: -67.726
flat angles C4'-P-C4' energy: -80.226
flat angles P-C4'-P energy: -55.128
tors. eta vs tors. theta energy: -102.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1054.666849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.666849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.666849 (E_RNA)
where:
Base-Base interactions energy: -715.963
where: short stacking energy: -312.801
Base-Backbone interact. energy: -0.571
local terms energy: -338.133524
where:
bonds (distance) C4'-P energy: -63.595
bonds (distance) P-C4' energy: -70.500
flat angles C4'-P-C4' energy: -65.212
flat angles P-C4'-P energy: -43.011
tors. eta vs tors. theta energy: -95.815
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: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1004.822086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.822086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.822086 (E_RNA)
where:
Base-Base interactions energy: -675.524
where: short stacking energy: -294.043
Base-Backbone interact. energy: -2.374
local terms energy: -326.923685
where:
bonds (distance) C4'-P energy: -60.268
bonds (distance) P-C4' energy: -67.812
flat angles C4'-P-C4' energy: -68.206
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -87.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -931.687889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.687889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.687889 (E_RNA)
where:
Base-Base interactions energy: -627.481
where: short stacking energy: -265.807
Base-Backbone interact. energy: -2.173
local terms energy: -302.033668
where:
bonds (distance) C4'-P energy: -57.906
bonds (distance) P-C4' energy: -61.199
flat angles C4'-P-C4' energy: -63.518
flat angles P-C4'-P energy: -35.456
tors. eta vs tors. theta energy: -83.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -882.392338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.392338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.392338 (E_RNA)
where:
Base-Base interactions energy: -575.473
where: short stacking energy: -242.589
Base-Backbone interact. energy: -1.633
local terms energy: -305.286632
where:
bonds (distance) C4'-P energy: -53.083
bonds (distance) P-C4' energy: -61.784
flat angles C4'-P-C4' energy: -69.726
flat angles P-C4'-P energy: -52.808
tors. eta vs tors. theta energy: -67.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -815.945240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.945240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.945240 (E_RNA)
where:
Base-Base interactions energy: -515.841
where: short stacking energy: -234.896
Base-Backbone interact. energy: 1.834
local terms energy: -303.253297
where:
bonds (distance) C4'-P energy: -54.842
bonds (distance) P-C4' energy: -66.044
flat angles C4'-P-C4' energy: -64.232
flat angles P-C4'-P energy: -44.446
tors. eta vs tors. theta energy: -73.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.315 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -545.648349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.648349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.648349 (E_RNA)
where:
Base-Base interactions energy: -324.065
where: short stacking energy: -142.589
Base-Backbone interact. energy: 0.296
local terms energy: -221.879670
where:
bonds (distance) C4'-P energy: -40.081
bonds (distance) P-C4' energy: -62.938
flat angles C4'-P-C4' energy: -60.036
flat angles P-C4'-P energy: -36.241
tors. eta vs tors. theta energy: -22.585
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: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -456.713285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.713285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.713285 (E_RNA)
where:
Base-Base interactions energy: -238.118
where: short stacking energy: -137.373
Base-Backbone interact. energy: -0.067
local terms energy: -218.528565
where:
bonds (distance) C4'-P energy: -52.063
bonds (distance) P-C4' energy: -60.789
flat angles C4'-P-C4' energy: -53.926
flat angles P-C4'-P energy: -36.708
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -377.486658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.486658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.486658 (E_RNA)
where:
Base-Base interactions energy: -161.371
where: short stacking energy: -98.595
Base-Backbone interact. energy: 1.894
local terms energy: -218.009657
where:
bonds (distance) C4'-P energy: -54.848
bonds (distance) P-C4' energy: -71.318
flat angles C4'-P-C4' energy: -51.167
flat angles P-C4'-P energy: -34.118
tors. eta vs tors. theta energy: -6.559
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: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -267.948095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.948095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.948095 (E_RNA)
where:
Base-Base interactions energy: -74.688
where: short stacking energy: -67.106
Base-Backbone interact. energy: -0.973
local terms energy: -192.286629
where:
bonds (distance) C4'-P energy: -54.056
bonds (distance) P-C4' energy: -61.973
flat angles C4'-P-C4' energy: -50.647
flat angles P-C4'-P energy: -40.822
tors. eta vs tors. theta energy: 15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1150.020373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.020373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.020373 (E_RNA)
where:
Base-Base interactions energy: -785.496
where: short stacking energy: -319.907
Base-Backbone interact. energy: -0.698
local terms energy: -363.826496
where:
bonds (distance) C4'-P energy: -65.938
bonds (distance) P-C4' energy: -65.055
flat angles C4'-P-C4' energy: -77.239
flat angles P-C4'-P energy: -55.772
tors. eta vs tors. theta energy: -99.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1075.508372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.508372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.508372 (E_RNA)
where:
Base-Base interactions energy: -729.384
where: short stacking energy: -317.896
Base-Backbone interact. energy: 0.018
local terms energy: -346.142220
where:
bonds (distance) C4'-P energy: -66.808
bonds (distance) P-C4' energy: -69.766
flat angles C4'-P-C4' energy: -70.627
flat angles P-C4'-P energy: -41.246
tors. eta vs tors. theta energy: -97.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -986.576604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.576604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.576604 (E_RNA)
where:
Base-Base interactions energy: -657.963
where: short stacking energy: -285.457
Base-Backbone interact. energy: 0.394
local terms energy: -329.007171
where:
bonds (distance) C4'-P energy: -60.733
bonds (distance) P-C4' energy: -61.735
flat angles C4'-P-C4' energy: -76.038
flat angles P-C4'-P energy: -39.796
tors. eta vs tors. theta energy: -90.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -928.886722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.886722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.886722 (E_RNA)
where:
Base-Base interactions energy: -599.722
where: short stacking energy: -247.135
Base-Backbone interact. energy: -1.311
local terms energy: -327.916666
where:
bonds (distance) C4'-P energy: -67.694
bonds (distance) P-C4' energy: -73.316
flat angles C4'-P-C4' energy: -63.711
flat angles P-C4'-P energy: -42.353
tors. eta vs tors. theta energy: -80.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -835.629599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.629599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.629599 (E_RNA)
where:
Base-Base interactions energy: -561.196
where: short stacking energy: -246.189
Base-Backbone interact. energy: -0.330
local terms energy: -274.102825
where:
bonds (distance) C4'-P energy: -49.730
bonds (distance) P-C4' energy: -53.519
flat angles C4'-P-C4' energy: -73.685
flat angles P-C4'-P energy: -33.554
tors. eta vs tors. theta energy: -63.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -738.650996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.650996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.650996 (E_RNA)
where:
Base-Base interactions energy: -501.193
where: short stacking energy: -217.385
Base-Backbone interact. energy: -2.341
local terms energy: -235.262387
where:
bonds (distance) C4'-P energy: -56.079
bonds (distance) P-C4' energy: -47.891
flat angles C4'-P-C4' energy: -53.251
flat angles P-C4'-P energy: -38.449
tors. eta vs tors. theta energy: -39.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.145 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -609.460484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.460484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.460484 (E_RNA)
where:
Base-Base interactions energy: -349.501
where: short stacking energy: -156.846
Base-Backbone interact. energy: -1.075
local terms energy: -258.884618
where:
bonds (distance) C4'-P energy: -69.779
bonds (distance) P-C4' energy: -56.235
flat angles C4'-P-C4' energy: -62.370
flat angles P-C4'-P energy: -37.116
tors. eta vs tors. theta energy: -33.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -409.426081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.426081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.426081 (E_RNA)
where:
Base-Base interactions energy: -211.785
where: short stacking energy: -85.121
Base-Backbone interact. energy: 1.441
local terms energy: -199.082926
where:
bonds (distance) C4'-P energy: -54.684
bonds (distance) P-C4' energy: -60.776
flat angles C4'-P-C4' energy: -61.867
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: 6.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -417.158924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.158924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.158924 (E_RNA)
where:
Base-Base interactions energy: -201.337
where: short stacking energy: -126.358
Base-Backbone interact. energy: -0.648
local terms energy: -215.174214
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -58.224
flat angles C4'-P-C4' energy: -56.474
flat angles P-C4'-P energy: -33.324
tors. eta vs tors. theta energy: -20.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -259.207273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.207273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.207273 (E_RNA)
where:
Base-Base interactions energy: -99.766
where: short stacking energy: -77.524
Base-Backbone interact. energy: 5.133
local terms energy: -165.187698
where:
bonds (distance) C4'-P energy: -66.562
bonds (distance) P-C4' energy: -54.485
flat angles C4'-P-C4' energy: -39.770
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: 14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.614 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1148.885123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.885123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.885123 (E_RNA)
where:
Base-Base interactions energy: -787.345
where: short stacking energy: -326.912
Base-Backbone interact. energy: -1.774
local terms energy: -359.766101
where:
bonds (distance) C4'-P energy: -62.363
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -75.326
flat angles P-C4'-P energy: -58.680
tors. eta vs tors. theta energy: -94.146
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: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1085.839952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.839952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.839952 (E_RNA)
where:
Base-Base interactions energy: -735.813
where: short stacking energy: -327.223
Base-Backbone interact. energy: -0.581
local terms energy: -349.445478
where:
bonds (distance) C4'-P energy: -57.547
bonds (distance) P-C4' energy: -68.134
flat angles C4'-P-C4' energy: -74.385
flat angles P-C4'-P energy: -45.861
tors. eta vs tors. theta energy: -103.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1017.084806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.084806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.084806 (E_RNA)
where:
Base-Base interactions energy: -670.642
where: short stacking energy: -298.387
Base-Backbone interact. energy: 1.888
local terms energy: -348.331586
where:
bonds (distance) C4'-P energy: -62.171
bonds (distance) P-C4' energy: -70.728
flat angles C4'-P-C4' energy: -65.926
flat angles P-C4'-P energy: -58.726
tors. eta vs tors. theta energy: -90.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -923.751408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.751408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.751408 (E_RNA)
where:
Base-Base interactions energy: -599.359
where: short stacking energy: -274.000
Base-Backbone interact. energy: 1.190
local terms energy: -325.583058
where:
bonds (distance) C4'-P energy: -62.974
bonds (distance) P-C4' energy: -57.545
flat angles C4'-P-C4' energy: -70.374
flat angles P-C4'-P energy: -48.806
tors. eta vs tors. theta energy: -85.884
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: 210
Temperature: 1.100000
Total energy: -789.607344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.607344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.607344 (E_RNA)
where:
Base-Base interactions energy: -501.487
where: short stacking energy: -224.076
Base-Backbone interact. energy: 5.921
local terms energy: -294.041340
where:
bonds (distance) C4'-P energy: -60.917
bonds (distance) P-C4' energy: -75.696
flat angles C4'-P-C4' energy: -66.692
flat angles P-C4'-P energy: -39.376
tors. eta vs tors. theta energy: -51.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -826.827000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.827000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.827000 (E_RNA)
where:
Base-Base interactions energy: -536.358
where: short stacking energy: -234.623
Base-Backbone interact. energy: -0.836
local terms energy: -289.632828
where:
bonds (distance) C4'-P energy: -53.579
bonds (distance) P-C4' energy: -61.867
flat angles C4'-P-C4' energy: -62.063
flat angles P-C4'-P energy: -41.405
tors. eta vs tors. theta energy: -70.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -565.374845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.374845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.374845 (E_RNA)
where:
Base-Base interactions energy: -340.193
where: short stacking energy: -154.859
Base-Backbone interact. energy: -0.139
local terms energy: -225.042782
where:
bonds (distance) C4'-P energy: -60.651
bonds (distance) P-C4' energy: -55.211
flat angles C4'-P-C4' energy: -38.241
flat angles P-C4'-P energy: -36.855
tors. eta vs tors. theta energy: -34.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -442.575207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.575207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.575207 (E_RNA)
where:
Base-Base interactions energy: -220.798
where: short stacking energy: -119.606
Base-Backbone interact. energy: 1.071
local terms energy: -223.245524
where:
bonds (distance) C4'-P energy: -53.227
bonds (distance) P-C4' energy: -70.120
flat angles C4'-P-C4' energy: -46.375
flat angles P-C4'-P energy: -37.726
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.397 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -429.540989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.540989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.540989 (E_RNA)
where:
Base-Base interactions energy: -221.305
where: short stacking energy: -129.318
Base-Backbone interact. energy: -1.042
local terms energy: -207.194807
where:
bonds (distance) C4'-P energy: -44.466
bonds (distance) P-C4' energy: -66.721
flat angles C4'-P-C4' energy: -51.257
flat angles P-C4'-P energy: -27.558
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -277.527473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.527473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.527473 (E_RNA)
where:
Base-Base interactions energy: -80.848
where: short stacking energy: -73.321
Base-Backbone interact. energy: -1.316
local terms energy: -195.363688
where:
bonds (distance) C4'-P energy: -55.986
bonds (distance) P-C4' energy: -65.035
flat angles C4'-P-C4' energy: -44.342
flat angles P-C4'-P energy: -39.781
tors. eta vs tors. theta energy: 9.781
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: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1131.538324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.538324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.538324 (E_RNA)
where:
Base-Base interactions energy: -798.029
where: short stacking energy: -311.110
Base-Backbone interact. energy: 3.021
local terms energy: -336.530052
where:
bonds (distance) C4'-P energy: -66.678
bonds (distance) P-C4' energy: -56.175
flat angles C4'-P-C4' energy: -73.415
flat angles P-C4'-P energy: -40.615
tors. eta vs tors. theta energy: -99.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1062.276795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.276795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.276795 (E_RNA)
where:
Base-Base interactions energy: -710.224
where: short stacking energy: -302.773
Base-Backbone interact. energy: -0.789
local terms energy: -351.263028
where:
bonds (distance) C4'-P energy: -62.766
bonds (distance) P-C4' energy: -64.008
flat angles C4'-P-C4' energy: -75.012
flat angles P-C4'-P energy: -45.846
tors. eta vs tors. theta energy: -103.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1010.670848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.670848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.670848 (E_RNA)
where:
Base-Base interactions energy: -680.492
where: short stacking energy: -283.045
Base-Backbone interact. energy: -2.265
local terms energy: -327.914214
where:
bonds (distance) C4'-P energy: -51.295
bonds (distance) P-C4' energy: -67.211
flat angles C4'-P-C4' energy: -74.193
flat angles P-C4'-P energy: -58.775
tors. eta vs tors. theta energy: -76.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -934.650020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.650020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.650020 (E_RNA)
where:
Base-Base interactions energy: -610.180
where: short stacking energy: -280.579
Base-Backbone interact. energy: -0.301
local terms energy: -324.169081
where:
bonds (distance) C4'-P energy: -59.785
bonds (distance) P-C4' energy: -64.415
flat angles C4'-P-C4' energy: -69.612
flat angles P-C4'-P energy: -46.196
tors. eta vs tors. theta energy: -84.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -819.051670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.051670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.051670 (E_RNA)
where:
Base-Base interactions energy: -534.880
where: short stacking energy: -224.534
Base-Backbone interact. energy: -1.227
local terms energy: -282.945359
where:
bonds (distance) C4'-P energy: -48.489
bonds (distance) P-C4' energy: -57.896
flat angles C4'-P-C4' energy: -67.296
flat angles P-C4'-P energy: -49.699
tors. eta vs tors. theta energy: -59.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -791.757199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.757199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.757199 (E_RNA)
where:
Base-Base interactions energy: -530.711
where: short stacking energy: -218.693
Base-Backbone interact. energy: 0.002
local terms energy: -261.048197
where:
bonds (distance) C4'-P energy: -58.889
bonds (distance) P-C4' energy: -61.880
flat angles C4'-P-C4' energy: -59.150
flat angles P-C4'-P energy: -39.492
tors. eta vs tors. theta energy: -41.637
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: 211
Temperature: 1.200000
Total energy: -584.471382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.471382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.471382 (E_RNA)
where:
Base-Base interactions energy: -356.742
where: short stacking energy: -145.159
Base-Backbone interact. energy: 3.965
local terms energy: -231.695239
where:
bonds (distance) C4'-P energy: -62.607
bonds (distance) P-C4' energy: -77.523
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -40.533
tors. eta vs tors. theta energy: -14.946
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: 211
Temperature: 1.250000
Total energy: -443.979910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.979910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.979910 (E_RNA)
where:
Base-Base interactions energy: -239.744
where: short stacking energy: -119.741
Base-Backbone interact. energy: -0.129
local terms energy: -204.106608
where:
bonds (distance) C4'-P energy: -67.532
bonds (distance) P-C4' energy: -67.102
flat angles C4'-P-C4' energy: -36.262
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -419.572767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.572767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.572767 (E_RNA)
where:
Base-Base interactions energy: -199.012
where: short stacking energy: -125.906
Base-Backbone interact. energy: 0.199
local terms energy: -220.760222
where:
bonds (distance) C4'-P energy: -63.012
bonds (distance) P-C4' energy: -52.198
flat angles C4'-P-C4' energy: -51.096
flat angles P-C4'-P energy: -45.395
tors. eta vs tors. theta energy: -9.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -286.900872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.900872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.900872 (E_RNA)
where:
Base-Base interactions energy: -108.677
where: short stacking energy: -81.861
Base-Backbone interact. energy: -0.974
local terms energy: -177.250135
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -60.935
flat angles C4'-P-C4' energy: -49.703
flat angles P-C4'-P energy: -24.088
tors. eta vs tors. theta energy: 5.931
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: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1141.008773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.008773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.008773 (E_RNA)
where:
Base-Base interactions energy: -781.539
where: short stacking energy: -333.700
Base-Backbone interact. energy: -0.467
local terms energy: -359.002700
where:
bonds (distance) C4'-P energy: -66.958
bonds (distance) P-C4' energy: -70.561
flat angles C4'-P-C4' energy: -66.446
flat angles P-C4'-P energy: -56.073
tors. eta vs tors. theta energy: -98.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1071.992463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.992463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.992463 (E_RNA)
where:
Base-Base interactions energy: -730.166
where: short stacking energy: -312.340
Base-Backbone interact. energy: -1.236
local terms energy: -340.590920
where:
bonds (distance) C4'-P energy: -65.595
bonds (distance) P-C4' energy: -65.910
flat angles C4'-P-C4' energy: -67.368
flat angles P-C4'-P energy: -44.756
tors. eta vs tors. theta energy: -96.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -966.683253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.683253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.683253 (E_RNA)
where:
Base-Base interactions energy: -648.399
where: short stacking energy: -273.751
Base-Backbone interact. energy: -1.164
local terms energy: -317.119874
where:
bonds (distance) C4'-P energy: -60.851
bonds (distance) P-C4' energy: -71.408
flat angles C4'-P-C4' energy: -68.732
flat angles P-C4'-P energy: -42.072
tors. eta vs tors. theta energy: -74.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -950.292587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.292587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.292587 (E_RNA)
where:
Base-Base interactions energy: -623.504
where: short stacking energy: -272.912
Base-Backbone interact. energy: -0.370
local terms energy: -326.418680
where:
bonds (distance) C4'-P energy: -67.160
bonds (distance) P-C4' energy: -71.411
flat angles C4'-P-C4' energy: -63.940
flat angles P-C4'-P energy: -41.813
tors. eta vs tors. theta energy: -82.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -809.911952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.911952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.911952 (E_RNA)
where:
Base-Base interactions energy: -528.839
where: short stacking energy: -227.943
Base-Backbone interact. energy: -1.676
local terms energy: -279.396257
where:
bonds (distance) C4'-P energy: -47.782
bonds (distance) P-C4' energy: -60.603
flat angles C4'-P-C4' energy: -75.008
flat angles P-C4'-P energy: -41.994
tors. eta vs tors. theta energy: -54.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -796.317363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.317363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.317363 (E_RNA)
where:
Base-Base interactions energy: -530.378
where: short stacking energy: -213.942
Base-Backbone interact. energy: -0.460
local terms energy: -265.479260
where:
bonds (distance) C4'-P energy: -48.817
bonds (distance) P-C4' energy: -59.286
flat angles C4'-P-C4' energy: -69.013
flat angles P-C4'-P energy: -33.715
tors. eta vs tors. theta energy: -54.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -582.261007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.261007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.261007 (E_RNA)
where:
Base-Base interactions energy: -361.358
where: short stacking energy: -142.242
Base-Backbone interact. energy: -0.174
local terms energy: -220.729835
where:
bonds (distance) C4'-P energy: -60.219
bonds (distance) P-C4' energy: -59.900
flat angles C4'-P-C4' energy: -65.871
flat angles P-C4'-P energy: -24.802
tors. eta vs tors. theta energy: -9.937
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: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -445.492771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.492771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.492771 (E_RNA)
where:
Base-Base interactions energy: -244.762
where: short stacking energy: -131.057
Base-Backbone interact. energy: -2.185
local terms energy: -198.545715
where:
bonds (distance) C4'-P energy: -60.399
bonds (distance) P-C4' energy: -59.019
flat angles C4'-P-C4' energy: -53.175
flat angles P-C4'-P energy: -19.192
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -403.415777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.415777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.415777 (E_RNA)
where:
Base-Base interactions energy: -202.797
where: short stacking energy: -102.851
Base-Backbone interact. energy: -2.010
local terms energy: -198.608228
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -59.662
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -269.222032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.222032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.222032 (E_RNA)
where:
Base-Base interactions energy: -63.932
where: short stacking energy: -44.477
Base-Backbone interact. energy: -1.506
local terms energy: -203.784283
where:
bonds (distance) C4'-P energy: -63.108
bonds (distance) P-C4' energy: -69.649
flat angles C4'-P-C4' energy: -50.834
flat angles P-C4'-P energy: -33.839
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: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1149.772423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.772423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.772423 (E_RNA)
where:
Base-Base interactions energy: -795.154
where: short stacking energy: -331.735
Base-Backbone interact. energy: -0.749
local terms energy: -353.869881
where:
bonds (distance) C4'-P energy: -63.363
bonds (distance) P-C4' energy: -70.477
flat angles C4'-P-C4' energy: -68.978
flat angles P-C4'-P energy: -54.078
tors. eta vs tors. theta energy: -96.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1069.140554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.140554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.140554 (E_RNA)
where:
Base-Base interactions energy: -717.959
where: short stacking energy: -320.122
Base-Backbone interact. energy: -0.592
local terms energy: -350.589333
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -71.794
flat angles C4'-P-C4' energy: -78.000
flat angles P-C4'-P energy: -46.162
tors. eta vs tors. theta energy: -96.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -992.721091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.721091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.721091 (E_RNA)
where:
Base-Base interactions energy: -673.312
where: short stacking energy: -277.439
Base-Backbone interact. energy: -0.085
local terms energy: -319.323543
where:
bonds (distance) C4'-P energy: -68.027
bonds (distance) P-C4' energy: -68.350
flat angles C4'-P-C4' energy: -66.276
flat angles P-C4'-P energy: -41.428
tors. eta vs tors. theta energy: -75.242
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: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -941.460746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.460746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.460746 (E_RNA)
where:
Base-Base interactions energy: -625.193
where: short stacking energy: -262.791
Base-Backbone interact. energy: -0.518
local terms energy: -315.749739
where:
bonds (distance) C4'-P energy: -63.090
bonds (distance) P-C4' energy: -60.039
flat angles C4'-P-C4' energy: -68.069
flat angles P-C4'-P energy: -47.348
tors. eta vs tors. theta energy: -77.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -746.469945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.469945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.469945 (E_RNA)
where:
Base-Base interactions energy: -458.167
where: short stacking energy: -203.025
Base-Backbone interact. energy: 3.227
local terms energy: -291.528955
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -72.850
flat angles C4'-P-C4' energy: -68.949
flat angles P-C4'-P energy: -42.240
tors. eta vs tors. theta energy: -48.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -823.447793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.447793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.447793 (E_RNA)
where:
Base-Base interactions energy: -528.623
where: short stacking energy: -245.411
Base-Backbone interact. energy: -0.450
local terms energy: -294.375064
where:
bonds (distance) C4'-P energy: -58.740
bonds (distance) P-C4' energy: -73.927
flat angles C4'-P-C4' energy: -58.295
flat angles P-C4'-P energy: -38.112
tors. eta vs tors. theta energy: -65.301
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: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -635.569708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.569708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.569708 (E_RNA)
where:
Base-Base interactions energy: -405.376
where: short stacking energy: -163.283
Base-Backbone interact. energy: 0.336
local terms energy: -231.705163
where:
bonds (distance) C4'-P energy: -39.177
bonds (distance) P-C4' energy: -51.960
flat angles C4'-P-C4' energy: -63.824
flat angles P-C4'-P energy: -42.250
tors. eta vs tors. theta energy: -34.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.176 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -476.097447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.097447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.097447 (E_RNA)
where:
Base-Base interactions energy: -255.622
where: short stacking energy: -132.670
Base-Backbone interact. energy: -2.290
local terms energy: -218.185407
where:
bonds (distance) C4'-P energy: -63.811
bonds (distance) P-C4' energy: -54.848
flat angles C4'-P-C4' energy: -49.188
flat angles P-C4'-P energy: -29.714
tors. eta vs tors. theta energy: -20.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -363.952394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.952394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.952394 (E_RNA)
where:
Base-Base interactions energy: -160.786
where: short stacking energy: -96.272
Base-Backbone interact. energy: -0.058
local terms energy: -203.107871
where:
bonds (distance) C4'-P energy: -56.175
bonds (distance) P-C4' energy: -66.839
flat angles C4'-P-C4' energy: -24.705
flat angles P-C4'-P energy: -46.110
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -261.351580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.351580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.351580 (E_RNA)
where:
Base-Base interactions energy: -73.824
where: short stacking energy: -70.254
Base-Backbone interact. energy: -2.260
local terms energy: -185.267800
where:
bonds (distance) C4'-P energy: -50.512
bonds (distance) P-C4' energy: -59.500
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -30.750
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: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1132.484993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.484993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.484993 (E_RNA)
where:
Base-Base interactions energy: -770.422
where: short stacking energy: -301.826
Base-Backbone interact. energy: -0.455
local terms energy: -361.864780
where:
bonds (distance) C4'-P energy: -71.655
bonds (distance) P-C4' energy: -76.003
flat angles C4'-P-C4' energy: -77.874
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -93.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.257 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1056.721161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.721161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.721161 (E_RNA)
where:
Base-Base interactions energy: -714.797
where: short stacking energy: -311.590
Base-Backbone interact. energy: 1.576
local terms energy: -343.500347
where:
bonds (distance) C4'-P energy: -65.203
bonds (distance) P-C4' energy: -59.149
flat angles C4'-P-C4' energy: -72.955
flat angles P-C4'-P energy: -51.026
tors. eta vs tors. theta energy: -95.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -985.131218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.131218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.131218 (E_RNA)
where:
Base-Base interactions energy: -663.549
where: short stacking energy: -282.108
Base-Backbone interact. energy: -1.330
local terms energy: -320.252360
where:
bonds (distance) C4'-P energy: -64.360
bonds (distance) P-C4' energy: -64.322
flat angles C4'-P-C4' energy: -64.452
flat angles P-C4'-P energy: -50.157
tors. eta vs tors. theta energy: -76.962
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: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -929.336749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.336749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.336749 (E_RNA)
where:
Base-Base interactions energy: -628.074
where: short stacking energy: -249.829
Base-Backbone interact. energy: -0.983
local terms energy: -300.280430
where:
bonds (distance) C4'-P energy: -57.060
bonds (distance) P-C4' energy: -60.649
flat angles C4'-P-C4' energy: -73.214
flat angles P-C4'-P energy: -38.372
tors. eta vs tors. theta energy: -70.984
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: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -844.351296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.351296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.351296 (E_RNA)
where:
Base-Base interactions energy: -535.498
where: short stacking energy: -239.458
Base-Backbone interact. energy: -2.440
local terms energy: -306.413113
where:
bonds (distance) C4'-P energy: -59.245
bonds (distance) P-C4' energy: -61.198
flat angles C4'-P-C4' energy: -70.608
flat angles P-C4'-P energy: -48.414
tors. eta vs tors. theta energy: -66.947
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: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -719.167335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.167335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.167335 (E_RNA)
where:
Base-Base interactions energy: -453.119
where: short stacking energy: -207.210
Base-Backbone interact. energy: -1.718
local terms energy: -264.330402
where:
bonds (distance) C4'-P energy: -52.499
bonds (distance) P-C4' energy: -70.091
flat angles C4'-P-C4' energy: -59.385
flat angles P-C4'-P energy: -29.212
tors. eta vs tors. theta energy: -53.143
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: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -653.032241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.032241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.032241 (E_RNA)
where:
Base-Base interactions energy: -407.202
where: short stacking energy: -194.069
Base-Backbone interact. energy: -0.452
local terms energy: -245.378419
where:
bonds (distance) C4'-P energy: -51.338
bonds (distance) P-C4' energy: -59.016
flat angles C4'-P-C4' energy: -52.978
flat angles P-C4'-P energy: -36.726
tors. eta vs tors. theta energy: -45.321
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: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -488.642135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.642135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.642135 (E_RNA)
where:
Base-Base interactions energy: -260.881
where: short stacking energy: -130.732
Base-Backbone interact. energy: 1.972
local terms energy: -229.732724
where:
bonds (distance) C4'-P energy: -63.232
bonds (distance) P-C4' energy: -59.819
flat angles C4'-P-C4' energy: -59.020
flat angles P-C4'-P energy: -32.509
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -350.978674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.978674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.978674 (E_RNA)
where:
Base-Base interactions energy: -155.287
where: short stacking energy: -86.050
Base-Backbone interact. energy: -0.879
local terms energy: -194.812967
where:
bonds (distance) C4'-P energy: -56.132
bonds (distance) P-C4' energy: -63.269
flat angles C4'-P-C4' energy: -53.084
flat angles P-C4'-P energy: -31.072
tors. eta vs tors. theta energy: 8.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -267.631308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.631308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.631308 (E_RNA)
where:
Base-Base interactions energy: -93.515
where: short stacking energy: -77.223
Base-Backbone interact. energy: -1.768
local terms energy: -172.348208
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -61.456
flat angles C4'-P-C4' energy: -50.150
flat angles P-C4'-P energy: -33.416
tors. eta vs tors. theta energy: 11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1160.641704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.641704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.641704 (E_RNA)
where:
Base-Base interactions energy: -800.913
where: short stacking energy: -320.268
Base-Backbone interact. energy: -0.560
local terms energy: -359.168779
where:
bonds (distance) C4'-P energy: -67.723
bonds (distance) P-C4' energy: -71.611
flat angles C4'-P-C4' energy: -72.063
flat angles P-C4'-P energy: -54.091
tors. eta vs tors. theta energy: -93.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1082.274597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.274597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.274597 (E_RNA)
where:
Base-Base interactions energy: -722.745
where: short stacking energy: -305.119
Base-Backbone interact. energy: -1.161
local terms energy: -358.368256
where:
bonds (distance) C4'-P energy: -73.990
bonds (distance) P-C4' energy: -66.317
flat angles C4'-P-C4' energy: -72.473
flat angles P-C4'-P energy: -48.720
tors. eta vs tors. theta energy: -96.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1010.749056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.749056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.749056 (E_RNA)
where:
Base-Base interactions energy: -679.453
where: short stacking energy: -287.674
Base-Backbone interact. energy: -3.670
local terms energy: -327.625946
where:
bonds (distance) C4'-P energy: -48.045
bonds (distance) P-C4' energy: -78.340
flat angles C4'-P-C4' energy: -71.588
flat angles P-C4'-P energy: -49.193
tors. eta vs tors. theta energy: -80.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -947.970173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.970173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.970173 (E_RNA)
where:
Base-Base interactions energy: -619.353
where: short stacking energy: -249.792
Base-Backbone interact. energy: -1.670
local terms energy: -326.946988
where:
bonds (distance) C4'-P energy: -67.051
bonds (distance) P-C4' energy: -64.875
flat angles C4'-P-C4' energy: -74.831
flat angles P-C4'-P energy: -43.862
tors. eta vs tors. theta energy: -76.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -861.869718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.869718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.869718 (E_RNA)
where:
Base-Base interactions energy: -566.067
where: short stacking energy: -227.729
Base-Backbone interact. energy: -0.817
local terms energy: -294.985790
where:
bonds (distance) C4'-P energy: -57.901
bonds (distance) P-C4' energy: -63.961
flat angles C4'-P-C4' energy: -64.119
flat angles P-C4'-P energy: -44.328
tors. eta vs tors. theta energy: -64.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -718.608853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.608853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.608853 (E_RNA)
where:
Base-Base interactions energy: -447.640
where: short stacking energy: -217.268
Base-Backbone interact. energy: -1.841
local terms energy: -269.127184
where:
bonds (distance) C4'-P energy: -48.990
bonds (distance) P-C4' energy: -50.577
flat angles C4'-P-C4' energy: -68.841
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -61.842
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: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -679.915757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.915757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.915757 (E_RNA)
where:
Base-Base interactions energy: -406.606
where: short stacking energy: -199.963
Base-Backbone interact. energy: -0.888
local terms energy: -272.634495
where:
bonds (distance) C4'-P energy: -52.064
bonds (distance) P-C4' energy: -61.266
flat angles C4'-P-C4' energy: -66.130
flat angles P-C4'-P energy: -36.041
tors. eta vs tors. theta energy: -57.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.212 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -408.525691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.525691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.525691 (E_RNA)
where:
Base-Base interactions energy: -185.837
where: short stacking energy: -104.341
Base-Backbone interact. energy: -0.220
local terms energy: -222.468534
where:
bonds (distance) C4'-P energy: -61.065
bonds (distance) P-C4' energy: -48.820
flat angles C4'-P-C4' energy: -58.745
flat angles P-C4'-P energy: -45.072
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -325.508596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.508596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.508596 (E_RNA)
where:
Base-Base interactions energy: -139.792
where: short stacking energy: -83.082
Base-Backbone interact. energy: -1.628
local terms energy: -184.088886
where:
bonds (distance) C4'-P energy: -50.007
bonds (distance) P-C4' energy: -71.919
flat angles C4'-P-C4' energy: -44.682
flat angles P-C4'-P energy: -31.252
tors. eta vs tors. theta energy: 13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -261.033826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.033826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.033826 (E_RNA)
where:
Base-Base interactions energy: -91.111
where: short stacking energy: -74.246
Base-Backbone interact. energy: 1.418
local terms energy: -171.340636
where:
bonds (distance) C4'-P energy: -45.099
bonds (distance) P-C4' energy: -56.586
flat angles C4'-P-C4' energy: -56.739
flat angles P-C4'-P energy: -24.989
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: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1154.595609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.595609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.595609 (E_RNA)
where:
Base-Base interactions energy: -793.583
where: short stacking energy: -314.100
Base-Backbone interact. energy: -2.381
local terms energy: -358.733663
where:
bonds (distance) C4'-P energy: -70.158
bonds (distance) P-C4' energy: -62.835
flat angles C4'-P-C4' energy: -73.321
flat angles P-C4'-P energy: -59.679
tors. eta vs tors. theta energy: -92.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1028.822837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.822837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.822837 (E_RNA)
where:
Base-Base interactions energy: -684.594
where: short stacking energy: -278.838
Base-Backbone interact. energy: -1.241
local terms energy: -342.988146
where:
bonds (distance) C4'-P energy: -65.488
bonds (distance) P-C4' energy: -66.770
flat angles C4'-P-C4' energy: -65.764
flat angles P-C4'-P energy: -56.097
tors. eta vs tors. theta energy: -88.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -996.750081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.750081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.750081 (E_RNA)
where:
Base-Base interactions energy: -661.046
where: short stacking energy: -271.401
Base-Backbone interact. energy: -1.970
local terms energy: -333.734197
where:
bonds (distance) C4'-P energy: -64.322
bonds (distance) P-C4' energy: -72.934
flat angles C4'-P-C4' energy: -74.144
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -78.327
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: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -914.002622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.002622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.002622 (E_RNA)
where:
Base-Base interactions energy: -592.060
where: short stacking energy: -249.452
Base-Backbone interact. energy: -1.340
local terms energy: -320.602944
where:
bonds (distance) C4'-P energy: -68.487
bonds (distance) P-C4' energy: -67.322
flat angles C4'-P-C4' energy: -65.544
flat angles P-C4'-P energy: -49.487
tors. eta vs tors. theta energy: -69.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -831.751390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.751390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.751390 (E_RNA)
where:
Base-Base interactions energy: -539.215
where: short stacking energy: -250.029
Base-Backbone interact. energy: -1.544
local terms energy: -290.991953
where:
bonds (distance) C4'-P energy: -65.625
bonds (distance) P-C4' energy: -64.702
flat angles C4'-P-C4' energy: -63.754
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -63.024
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: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -711.876637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.876637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.876637 (E_RNA)
where:
Base-Base interactions energy: -415.370
where: short stacking energy: -205.105
Base-Backbone interact. energy: 0.196
local terms energy: -296.703161
where:
bonds (distance) C4'-P energy: -57.632
bonds (distance) P-C4' energy: -64.701
flat angles C4'-P-C4' energy: -70.069
flat angles P-C4'-P energy: -51.075
tors. eta vs tors. theta energy: -53.226
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: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -676.854210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.854210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.854210 (E_RNA)
where:
Base-Base interactions energy: -420.628
where: short stacking energy: -196.974
Base-Backbone interact. energy: -1.157
local terms energy: -255.069817
where:
bonds (distance) C4'-P energy: -51.458
bonds (distance) P-C4' energy: -65.600
flat angles C4'-P-C4' energy: -52.920
flat angles P-C4'-P energy: -42.181
tors. eta vs tors. theta energy: -42.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -488.114985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.114985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.114985 (E_RNA)
where:
Base-Base interactions energy: -269.884
where: short stacking energy: -128.504
Base-Backbone interact. energy: 1.050
local terms energy: -219.501133
where:
bonds (distance) C4'-P energy: -63.296
bonds (distance) P-C4' energy: -54.108
flat angles C4'-P-C4' energy: -46.047
flat angles P-C4'-P energy: -24.683
tors. eta vs tors. theta energy: -31.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.220 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -304.991334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.991334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.991334 (E_RNA)
where:
Base-Base interactions energy: -91.149
where: short stacking energy: -79.609
Base-Backbone interact. energy: 2.758
local terms energy: -216.599617
where:
bonds (distance) C4'-P energy: -54.489
bonds (distance) P-C4' energy: -70.431
flat angles C4'-P-C4' energy: -43.411
flat angles P-C4'-P energy: -39.909
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -266.539942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.539942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.539942 (E_RNA)
where:
Base-Base interactions energy: -104.561
where: short stacking energy: -74.058
Base-Backbone interact. energy: -0.743
local terms energy: -161.235482
where:
bonds (distance) C4'-P energy: -55.030
bonds (distance) P-C4' energy: -38.627
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: 10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1145.830447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.830447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.830447 (E_RNA)
where:
Base-Base interactions energy: -777.485
where: short stacking energy: -315.263
Base-Backbone interact. energy: -0.681
local terms energy: -367.863051
where:
bonds (distance) C4'-P energy: -70.411
bonds (distance) P-C4' energy: -69.250
flat angles C4'-P-C4' energy: -67.797
flat angles P-C4'-P energy: -61.427
tors. eta vs tors. theta energy: -98.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.199 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1053.363158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.363158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.363158 (E_RNA)
where:
Base-Base interactions energy: -704.670
where: short stacking energy: -304.802
Base-Backbone interact. energy: -0.674
local terms energy: -348.018738
where:
bonds (distance) C4'-P energy: -50.482
bonds (distance) P-C4' energy: -61.811
flat angles C4'-P-C4' energy: -79.678
flat angles P-C4'-P energy: -57.183
tors. eta vs tors. theta energy: -98.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -990.562413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.562413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.562413 (E_RNA)
where:
Base-Base interactions energy: -663.500
where: short stacking energy: -278.037
Base-Backbone interact. energy: 0.271
local terms energy: -327.333201
where:
bonds (distance) C4'-P energy: -61.332
bonds (distance) P-C4' energy: -75.855
flat angles C4'-P-C4' energy: -74.877
flat angles P-C4'-P energy: -43.087
tors. eta vs tors. theta energy: -72.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -926.747400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.747400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.747400 (E_RNA)
where:
Base-Base interactions energy: -628.541
where: short stacking energy: -274.930
Base-Backbone interact. energy: -0.405
local terms energy: -298.032115
where:
bonds (distance) C4'-P energy: -60.952
bonds (distance) P-C4' energy: -52.633
flat angles C4'-P-C4' energy: -70.725
flat angles P-C4'-P energy: -40.414
tors. eta vs tors. theta energy: -73.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.231 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -854.058959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.058959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.058959 (E_RNA)
where:
Base-Base interactions energy: -572.251
where: short stacking energy: -246.616
Base-Backbone interact. energy: -0.995
local terms energy: -280.813354
where:
bonds (distance) C4'-P energy: -62.869
bonds (distance) P-C4' energy: -52.221
flat angles C4'-P-C4' energy: -55.990
flat angles P-C4'-P energy: -40.871
tors. eta vs tors. theta energy: -68.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -758.986525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.986525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.986525 (E_RNA)
where:
Base-Base interactions energy: -474.927
where: short stacking energy: -231.894
Base-Backbone interact. energy: -0.490
local terms energy: -283.570059
where:
bonds (distance) C4'-P energy: -61.579
bonds (distance) P-C4' energy: -67.737
flat angles C4'-P-C4' energy: -56.166
flat angles P-C4'-P energy: -42.657
tors. eta vs tors. theta energy: -55.431
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: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -625.372101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.372101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.372101 (E_RNA)
where:
Base-Base interactions energy: -400.647
where: short stacking energy: -174.519
Base-Backbone interact. energy: 3.062
local terms energy: -227.786755
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -61.815
flat angles C4'-P-C4' energy: -61.666
flat angles P-C4'-P energy: -23.458
tors. eta vs tors. theta energy: -35.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -435.992642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.992642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.992642 (E_RNA)
where:
Base-Base interactions energy: -246.537
where: short stacking energy: -120.465
Base-Backbone interact. energy: -1.064
local terms energy: -188.392363
where:
bonds (distance) C4'-P energy: -49.521
bonds (distance) P-C4' energy: -59.177
flat angles C4'-P-C4' energy: -46.318
flat angles P-C4'-P energy: -28.930
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -296.653819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.653819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.653819 (E_RNA)
where:
Base-Base interactions energy: -105.605
where: short stacking energy: -62.409
Base-Backbone interact. energy: 1.485
local terms energy: -192.533549
where:
bonds (distance) C4'-P energy: -50.478
bonds (distance) P-C4' energy: -66.302
flat angles C4'-P-C4' energy: -52.156
flat angles P-C4'-P energy: -32.105
tors. eta vs tors. theta energy: 8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -266.275577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.275577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.275577 (E_RNA)
where:
Base-Base interactions energy: -77.875
where: short stacking energy: -63.478
Base-Backbone interact. energy: -0.417
local terms energy: -187.982814
where:
bonds (distance) C4'-P energy: -65.454
bonds (distance) P-C4' energy: -54.916
flat angles C4'-P-C4' energy: -46.995
flat angles P-C4'-P energy: -31.213
tors. eta vs tors. theta energy: 10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1152.629318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.629318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.629318 (E_RNA)
where:
Base-Base interactions energy: -790.969
where: short stacking energy: -311.809
Base-Backbone interact. energy: -1.086
local terms energy: -360.574067
where:
bonds (distance) C4'-P energy: -61.052
bonds (distance) P-C4' energy: -66.413
flat angles C4'-P-C4' energy: -82.185
flat angles P-C4'-P energy: -49.326
tors. eta vs tors. theta energy: -101.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1044.642401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.642401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.642401 (E_RNA)
where:
Base-Base interactions energy: -707.375
where: short stacking energy: -303.728
Base-Backbone interact. energy: -0.445
local terms energy: -336.821467
where:
bonds (distance) C4'-P energy: -59.903
bonds (distance) P-C4' energy: -65.044
flat angles C4'-P-C4' energy: -71.561
flat angles P-C4'-P energy: -46.432
tors. eta vs tors. theta energy: -93.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -988.370478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.370478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.370478 (E_RNA)
where:
Base-Base interactions energy: -678.036
where: short stacking energy: -277.400
Base-Backbone interact. energy: -1.488
local terms energy: -308.846971
where:
bonds (distance) C4'-P energy: -65.794
bonds (distance) P-C4' energy: -61.123
flat angles C4'-P-C4' energy: -63.808
flat angles P-C4'-P energy: -41.505
tors. eta vs tors. theta energy: -76.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -933.356821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.356821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.356821 (E_RNA)
where:
Base-Base interactions energy: -603.754
where: short stacking energy: -263.825
Base-Backbone interact. energy: -4.448
local terms energy: -325.220835
where:
bonds (distance) C4'-P energy: -55.198
bonds (distance) P-C4' energy: -73.483
flat angles C4'-P-C4' energy: -78.131
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -79.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.066 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -873.312877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.312877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.312877 (E_RNA)
where:
Base-Base interactions energy: -576.647
where: short stacking energy: -248.649
Base-Backbone interact. energy: -1.646
local terms energy: -295.020051
where:
bonds (distance) C4'-P energy: -56.813
bonds (distance) P-C4' energy: -62.900
flat angles C4'-P-C4' energy: -74.043
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -65.543
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: 218
Temperature: 1.150000
Total energy: -734.130863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.130863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.130863 (E_RNA)
where:
Base-Base interactions energy: -453.926
where: short stacking energy: -211.906
Base-Backbone interact. energy: -0.959
local terms energy: -279.245627
where:
bonds (distance) C4'-P energy: -65.590
bonds (distance) P-C4' energy: -59.412
flat angles C4'-P-C4' energy: -56.103
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -59.050
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: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -607.782006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.782006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.782006 (E_RNA)
where:
Base-Base interactions energy: -370.918
where: short stacking energy: -174.634
Base-Backbone interact. energy: -1.083
local terms energy: -235.780575
where:
bonds (distance) C4'-P energy: -53.433
bonds (distance) P-C4' energy: -60.678
flat angles C4'-P-C4' energy: -55.612
flat angles P-C4'-P energy: -36.886
tors. eta vs tors. theta energy: -29.171
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: 3
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -398.691540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.691540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.691540 (E_RNA)
where:
Base-Base interactions energy: -176.494
where: short stacking energy: -108.997
Base-Backbone interact. energy: -1.293
local terms energy: -220.904792
where:
bonds (distance) C4'-P energy: -59.937
bonds (distance) P-C4' energy: -69.598
flat angles C4'-P-C4' energy: -52.639
flat angles P-C4'-P energy: -26.215
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: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -322.373738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.373738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.373738 (E_RNA)
where:
Base-Base interactions energy: -126.800
where: short stacking energy: -110.719
Base-Backbone interact. energy: 1.862
local terms energy: -197.435506
where:
bonds (distance) C4'-P energy: -42.357
bonds (distance) P-C4' energy: -63.901
flat angles C4'-P-C4' energy: -51.176
flat angles P-C4'-P energy: -31.645
tors. eta vs tors. theta energy: -8.356
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: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -270.947805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.947805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.947805 (E_RNA)
where:
Base-Base interactions energy: -85.718
where: short stacking energy: -72.472
Base-Backbone interact. energy: -1.767
local terms energy: -183.463083
where:
bonds (distance) C4'-P energy: -54.965
bonds (distance) P-C4' energy: -52.095
flat angles C4'-P-C4' energy: -48.124
flat angles P-C4'-P energy: -32.825
tors. eta vs tors. theta energy: 4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1149.012156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.012156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.012156 (E_RNA)
where:
Base-Base interactions energy: -786.900
where: short stacking energy: -317.472
Base-Backbone interact. energy: -0.249
local terms energy: -361.863187
where:
bonds (distance) C4'-P energy: -64.419
bonds (distance) P-C4' energy: -64.406
flat angles C4'-P-C4' energy: -75.735
flat angles P-C4'-P energy: -58.861
tors. eta vs tors. theta energy: -98.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1083.523860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.523860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.523860 (E_RNA)
where:
Base-Base interactions energy: -742.821
where: short stacking energy: -319.355
Base-Backbone interact. energy: -0.271
local terms energy: -340.432409
where:
bonds (distance) C4'-P energy: -62.280
bonds (distance) P-C4' energy: -58.615
flat angles C4'-P-C4' energy: -63.568
flat angles P-C4'-P energy: -56.411
tors. eta vs tors. theta energy: -99.557
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: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -959.692524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.692524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.692524 (E_RNA)
where:
Base-Base interactions energy: -645.957
where: short stacking energy: -273.396
Base-Backbone interact. energy: 1.076
local terms energy: -314.812027
where:
bonds (distance) C4'-P energy: -60.551
bonds (distance) P-C4' energy: -69.467
flat angles C4'-P-C4' energy: -63.058
flat angles P-C4'-P energy: -48.972
tors. eta vs tors. theta energy: -72.763
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: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -932.012382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.012382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.012382 (E_RNA)
where:
Base-Base interactions energy: -605.477
where: short stacking energy: -242.704
Base-Backbone interact. energy: 0.157
local terms energy: -326.692836
where:
bonds (distance) C4'-P energy: -66.191
bonds (distance) P-C4' energy: -62.977
flat angles C4'-P-C4' energy: -77.423
flat angles P-C4'-P energy: -47.916
tors. eta vs tors. theta energy: -72.185
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: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -903.526964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.526964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.526964 (E_RNA)
where:
Base-Base interactions energy: -591.392
where: short stacking energy: -232.304
Base-Backbone interact. energy: -3.059
local terms energy: -309.076315
where:
bonds (distance) C4'-P energy: -61.217
bonds (distance) P-C4' energy: -61.391
flat angles C4'-P-C4' energy: -70.238
flat angles P-C4'-P energy: -43.613
tors. eta vs tors. theta energy: -72.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -729.963414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.963414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.963414 (E_RNA)
where:
Base-Base interactions energy: -469.933
where: short stacking energy: -211.692
Base-Backbone interact. energy: 2.335
local terms energy: -262.365553
where:
bonds (distance) C4'-P energy: -49.963
bonds (distance) P-C4' energy: -63.751
flat angles C4'-P-C4' energy: -63.991
flat angles P-C4'-P energy: -32.890
tors. eta vs tors. theta energy: -51.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -613.433252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.433252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.433252 (E_RNA)
where:
Base-Base interactions energy: -391.919
where: short stacking energy: -183.828
Base-Backbone interact. energy: -4.163
local terms energy: -217.351308
where:
bonds (distance) C4'-P energy: -57.183
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -58.659
flat angles P-C4'-P energy: -28.433
tors. eta vs tors. theta energy: -27.963
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: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -361.956523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.956523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.956523 (E_RNA)
where:
Base-Base interactions energy: -172.333
where: short stacking energy: -99.760
Base-Backbone interact. energy: -2.266
local terms energy: -187.357630
where:
bonds (distance) C4'-P energy: -51.583
bonds (distance) P-C4' energy: -57.445
flat angles C4'-P-C4' energy: -49.734
flat angles P-C4'-P energy: -19.666
tors. eta vs tors. theta energy: -8.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -290.198312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.198312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.198312 (E_RNA)
where:
Base-Base interactions energy: -102.567
where: short stacking energy: -93.886
Base-Backbone interact. energy: -0.087
local terms energy: -187.543535
where:
bonds (distance) C4'-P energy: -51.026
bonds (distance) P-C4' energy: -69.939
flat angles C4'-P-C4' energy: -49.188
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: 9.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -278.552379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.552379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.552379 (E_RNA)
where:
Base-Base interactions energy: -105.688
where: short stacking energy: -72.457
Base-Backbone interact. energy: 1.446
local terms energy: -174.310620
where:
bonds (distance) C4'-P energy: -44.832
bonds (distance) P-C4' energy: -59.681
flat angles C4'-P-C4' energy: -56.698
flat angles P-C4'-P energy: -26.019
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: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1146.431502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.431502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.431502 (E_RNA)
where:
Base-Base interactions energy: -782.803
where: short stacking energy: -306.647
Base-Backbone interact. energy: -0.487
local terms energy: -363.141723
where:
bonds (distance) C4'-P energy: -63.983
bonds (distance) P-C4' energy: -75.419
flat angles C4'-P-C4' energy: -68.458
flat angles P-C4'-P energy: -57.028
tors. eta vs tors. theta energy: -98.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1088.906942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.906942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.906942 (E_RNA)
where:
Base-Base interactions energy: -729.067
where: short stacking energy: -309.852
Base-Backbone interact. energy: -0.619
local terms energy: -359.220796
where:
bonds (distance) C4'-P energy: -67.608
bonds (distance) P-C4' energy: -67.162
flat angles C4'-P-C4' energy: -74.406
flat angles P-C4'-P energy: -54.880
tors. eta vs tors. theta energy: -95.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -966.055898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.055898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.055898 (E_RNA)
where:
Base-Base interactions energy: -647.234
where: short stacking energy: -265.963
Base-Backbone interact. energy: -1.441
local terms energy: -317.381283
where:
bonds (distance) C4'-P energy: -63.741
bonds (distance) P-C4' energy: -62.593
flat angles C4'-P-C4' energy: -66.944
flat angles P-C4'-P energy: -44.435
tors. eta vs tors. theta energy: -79.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -918.763216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.763216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.763216 (E_RNA)
where:
Base-Base interactions energy: -591.972
where: short stacking energy: -245.845
Base-Backbone interact. energy: -1.584
local terms energy: -325.207299
where:
bonds (distance) C4'-P energy: -63.145
bonds (distance) P-C4' energy: -65.370
flat angles C4'-P-C4' energy: -76.219
flat angles P-C4'-P energy: -45.221
tors. eta vs tors. theta energy: -75.253
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: 220
Temperature: 1.100000
Total energy: -869.284670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.284670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.284670 (E_RNA)
where:
Base-Base interactions energy: -545.790
where: short stacking energy: -217.517
Base-Backbone interact. energy: -1.259
local terms energy: -322.235990
where:
bonds (distance) C4'-P energy: -69.961
bonds (distance) P-C4' energy: -71.417
flat angles C4'-P-C4' energy: -66.260
flat angles P-C4'-P energy: -51.442
tors. eta vs tors. theta energy: -63.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -681.732565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.732565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.732565 (E_RNA)
where:
Base-Base interactions energy: -402.338
where: short stacking energy: -191.411
Base-Backbone interact. energy: -0.279
local terms energy: -279.115267
where:
bonds (distance) C4'-P energy: -62.515
bonds (distance) P-C4' energy: -68.566
flat angles C4'-P-C4' energy: -59.698
flat angles P-C4'-P energy: -42.648
tors. eta vs tors. theta energy: -45.689
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: 220
Temperature: 1.200000
Total energy: -574.560075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.560075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.560075 (E_RNA)
where:
Base-Base interactions energy: -348.575
where: short stacking energy: -166.770
Base-Backbone interact. energy: -0.601
local terms energy: -225.654204
where:
bonds (distance) C4'-P energy: -55.264
bonds (distance) P-C4' energy: -65.843
flat angles C4'-P-C4' energy: -49.817
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.270 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -397.079469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.079469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.079469 (E_RNA)
where:
Base-Base interactions energy: -207.562
where: short stacking energy: -131.136
Base-Backbone interact. energy: 3.463
local terms energy: -193.536252
where:
bonds (distance) C4'-P energy: -58.450
bonds (distance) P-C4' energy: -42.151
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -32.017
tors. eta vs tors. theta energy: -25.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.556 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -278.918068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.918068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.918068 (E_RNA)
where:
Base-Base interactions energy: -87.276
where: short stacking energy: -72.690
Base-Backbone interact. energy: 1.792
local terms energy: -193.433762
where:
bonds (distance) C4'-P energy: -57.694
bonds (distance) P-C4' energy: -64.420
flat angles C4'-P-C4' energy: -52.087
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: 2.427
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: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -264.366349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.366349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.366349 (E_RNA)
where:
Base-Base interactions energy: -93.902
where: short stacking energy: -76.566
Base-Backbone interact. energy: -0.307
local terms energy: -170.157176
where:
bonds (distance) C4'-P energy: -54.822
bonds (distance) P-C4' energy: -60.415
flat angles C4'-P-C4' energy: -37.582
flat angles P-C4'-P energy: -28.245
tors. eta vs tors. theta energy: 10.907
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: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1150.298291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.298291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.298291 (E_RNA)
where:
Base-Base interactions energy: -803.639
where: short stacking energy: -322.740
Base-Backbone interact. energy: -0.381
local terms energy: -346.278234
where:
bonds (distance) C4'-P energy: -52.634
bonds (distance) P-C4' energy: -62.763
flat angles C4'-P-C4' energy: -80.817
flat angles P-C4'-P energy: -55.942
tors. eta vs tors. theta energy: -94.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1105.830070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.830070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.830070 (E_RNA)
where:
Base-Base interactions energy: -758.242
where: short stacking energy: -324.964
Base-Backbone interact. energy: 0.173
local terms energy: -347.761193
where:
bonds (distance) C4'-P energy: -68.675
bonds (distance) P-C4' energy: -68.265
flat angles C4'-P-C4' energy: -70.886
flat angles P-C4'-P energy: -49.657
tors. eta vs tors. theta energy: -90.278
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: 3, replica: 10
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -963.540368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.540368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.540368 (E_RNA)
where:
Base-Base interactions energy: -636.254
where: short stacking energy: -264.019
Base-Backbone interact. energy: -5.573
local terms energy: -321.713480
where:
bonds (distance) C4'-P energy: -66.814
bonds (distance) P-C4' energy: -61.936
flat angles C4'-P-C4' energy: -72.040
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -76.265
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: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -947.964225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.964225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.964225 (E_RNA)
where:
Base-Base interactions energy: -646.103
where: short stacking energy: -250.497
Base-Backbone interact. energy: -0.075
local terms energy: -301.785320
where:
bonds (distance) C4'-P energy: -56.991
bonds (distance) P-C4' energy: -59.615
flat angles C4'-P-C4' energy: -66.999
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: -78.604
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: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -890.341934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.341934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.341934 (E_RNA)
where:
Base-Base interactions energy: -584.980
where: short stacking energy: -264.275
Base-Backbone interact. energy: -2.084
local terms energy: -303.278742
where:
bonds (distance) C4'-P energy: -59.604
bonds (distance) P-C4' energy: -64.694
flat angles C4'-P-C4' energy: -69.346
flat angles P-C4'-P energy: -37.646
tors. eta vs tors. theta energy: -71.989
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: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -722.550753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.550753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.550753 (E_RNA)
where:
Base-Base interactions energy: -438.889
where: short stacking energy: -196.908
Base-Backbone interact. energy: -0.288
local terms energy: -283.372996
where:
bonds (distance) C4'-P energy: -67.258
bonds (distance) P-C4' energy: -58.124
flat angles C4'-P-C4' energy: -67.337
flat angles P-C4'-P energy: -38.159
tors. eta vs tors. theta energy: -52.496
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: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -522.492348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.492348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.492348 (E_RNA)
where:
Base-Base interactions energy: -294.344
where: short stacking energy: -135.974
Base-Backbone interact. energy: 0.634
local terms energy: -228.783000
where:
bonds (distance) C4'-P energy: -65.807
bonds (distance) P-C4' energy: -61.685
flat angles C4'-P-C4' energy: -53.276
flat angles P-C4'-P energy: -35.041
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -447.179996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.179996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.179996 (E_RNA)
where:
Base-Base interactions energy: -237.077
where: short stacking energy: -126.792
Base-Backbone interact. energy: -0.304
local terms energy: -209.799021
where:
bonds (distance) C4'-P energy: -60.546
bonds (distance) P-C4' energy: -49.686
flat angles C4'-P-C4' energy: -53.144
flat angles P-C4'-P energy: -38.356
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -277.178986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.178986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.178986 (E_RNA)
where:
Base-Base interactions energy: -62.909
where: short stacking energy: -46.305
Base-Backbone interact. energy: 2.754
local terms energy: -217.023451
where:
bonds (distance) C4'-P energy: -67.916
bonds (distance) P-C4' energy: -60.768
flat angles C4'-P-C4' energy: -61.325
flat angles P-C4'-P energy: -31.030
tors. eta vs tors. theta energy: 4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -265.211418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.211418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.211418 (E_RNA)
where:
Base-Base interactions energy: -104.398
where: short stacking energy: -65.021
Base-Backbone interact. energy: 1.199
local terms energy: -162.012345
where:
bonds (distance) C4'-P energy: -62.081
bonds (distance) P-C4' energy: -48.301
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -34.412
tors. eta vs tors. theta energy: 10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1163.787134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.787134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.787134 (E_RNA)
where:
Base-Base interactions energy: -804.446
where: short stacking energy: -314.853
Base-Backbone interact. energy: -0.334
local terms energy: -359.262596
where:
bonds (distance) C4'-P energy: -67.469
bonds (distance) P-C4' energy: -73.787
flat angles C4'-P-C4' energy: -73.368
flat angles P-C4'-P energy: -50.387
tors. eta vs tors. theta energy: -94.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.255 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1092.683916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.683916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.683916 (E_RNA)
where:
Base-Base interactions energy: -736.143
where: short stacking energy: -312.916
Base-Backbone interact. energy: -0.826
local terms energy: -355.714892
where:
bonds (distance) C4'-P energy: -63.529
bonds (distance) P-C4' energy: -61.976
flat angles C4'-P-C4' energy: -76.956
flat angles P-C4'-P energy: -53.482
tors. eta vs tors. theta energy: -99.771
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: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -983.778798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.778798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.778798 (E_RNA)
where:
Base-Base interactions energy: -657.375
where: short stacking energy: -281.446
Base-Backbone interact. energy: -1.087
local terms energy: -326.457740
where:
bonds (distance) C4'-P energy: -63.402
bonds (distance) P-C4' energy: -70.846
flat angles C4'-P-C4' energy: -69.833
flat angles P-C4'-P energy: -40.863
tors. eta vs tors. theta energy: -81.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.141 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -946.890360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.890360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.890360 (E_RNA)
where:
Base-Base interactions energy: -628.466
where: short stacking energy: -240.066
Base-Backbone interact. energy: -2.392
local terms energy: -316.032340
where:
bonds (distance) C4'-P energy: -64.659
bonds (distance) P-C4' energy: -71.167
flat angles C4'-P-C4' energy: -65.345
flat angles P-C4'-P energy: -46.196
tors. eta vs tors. theta energy: -68.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -873.005189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.005189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.005189 (E_RNA)
where:
Base-Base interactions energy: -575.675
where: short stacking energy: -231.562
Base-Backbone interact. energy: -1.372
local terms energy: -295.957674
where:
bonds (distance) C4'-P energy: -56.180
bonds (distance) P-C4' energy: -68.350
flat angles C4'-P-C4' energy: -66.068
flat angles P-C4'-P energy: -40.368
tors. eta vs tors. theta energy: -64.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -745.501106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.501106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.501106 (E_RNA)
where:
Base-Base interactions energy: -466.954
where: short stacking energy: -199.811
Base-Backbone interact. energy: -1.061
local terms energy: -277.486445
where:
bonds (distance) C4'-P energy: -63.299
bonds (distance) P-C4' energy: -56.394
flat angles C4'-P-C4' energy: -56.718
flat angles P-C4'-P energy: -42.174
tors. eta vs tors. theta energy: -58.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -478.043549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.043549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.043549 (E_RNA)
where:
Base-Base interactions energy: -229.321
where: short stacking energy: -136.598
Base-Backbone interact. energy: -0.464
local terms energy: -248.258662
where:
bonds (distance) C4'-P energy: -67.618
bonds (distance) P-C4' energy: -68.150
flat angles C4'-P-C4' energy: -53.187
flat angles P-C4'-P energy: -39.520
tors. eta vs tors. theta energy: -19.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -513.603206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.603206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.603206 (E_RNA)
where:
Base-Base interactions energy: -303.169
where: short stacking energy: -140.700
Base-Backbone interact. energy: -0.109
local terms energy: -210.325319
where:
bonds (distance) C4'-P energy: -48.675
bonds (distance) P-C4' energy: -60.935
flat angles C4'-P-C4' energy: -44.267
flat angles P-C4'-P energy: -35.407
tors. eta vs tors. theta energy: -21.041
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: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -280.922331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.922331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.922331 (E_RNA)
where:
Base-Base interactions energy: -102.053
where: short stacking energy: -95.613
Base-Backbone interact. energy: -1.874
local terms energy: -176.996086
where:
bonds (distance) C4'-P energy: -54.996
bonds (distance) P-C4' energy: -42.744
flat angles C4'-P-C4' energy: -56.515
flat angles P-C4'-P energy: -25.266
tors. eta vs tors. theta energy: 2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -276.139864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.139864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.139864 (E_RNA)
where:
Base-Base interactions energy: -83.258
where: short stacking energy: -63.613
Base-Backbone interact. energy: -0.356
local terms energy: -192.525847
where:
bonds (distance) C4'-P energy: -67.461
bonds (distance) P-C4' energy: -61.355
flat angles C4'-P-C4' energy: -53.522
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: 9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1151.522918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.522918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.522918 (E_RNA)
where:
Base-Base interactions energy: -774.680
where: short stacking energy: -313.671
Base-Backbone interact. energy: 0.272
local terms energy: -377.115283
where:
bonds (distance) C4'-P energy: -70.207
bonds (distance) P-C4' energy: -72.389
flat angles C4'-P-C4' energy: -78.730
flat angles P-C4'-P energy: -54.757
tors. eta vs tors. theta energy: -101.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1085.024622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.024622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.024622 (E_RNA)
where:
Base-Base interactions energy: -705.722
where: short stacking energy: -307.098
Base-Backbone interact. energy: 0.523
local terms energy: -379.825855
where:
bonds (distance) C4'-P energy: -69.254
bonds (distance) P-C4' energy: -77.337
flat angles C4'-P-C4' energy: -73.568
flat angles P-C4'-P energy: -60.038
tors. eta vs tors. theta energy: -99.629
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: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -972.748860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.748860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.748860 (E_RNA)
where:
Base-Base interactions energy: -661.926
where: short stacking energy: -283.401
Base-Backbone interact. energy: -0.336
local terms energy: -310.486626
where:
bonds (distance) C4'-P energy: -58.630
bonds (distance) P-C4' energy: -63.185
flat angles C4'-P-C4' energy: -62.480
flat angles P-C4'-P energy: -38.737
tors. eta vs tors. theta energy: -87.454
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: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -930.055116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.055116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.055116 (E_RNA)
where:
Base-Base interactions energy: -628.884
where: short stacking energy: -256.577
Base-Backbone interact. energy: -0.898
local terms energy: -300.273343
where:
bonds (distance) C4'-P energy: -64.596
bonds (distance) P-C4' energy: -61.263
flat angles C4'-P-C4' energy: -68.542
flat angles P-C4'-P energy: -40.492
tors. eta vs tors. theta energy: -65.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -914.568358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.568358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.568358 (E_RNA)
where:
Base-Base interactions energy: -603.503
where: short stacking energy: -260.045
Base-Backbone interact. energy: -1.968
local terms energy: -309.097283
where:
bonds (distance) C4'-P energy: -68.861
bonds (distance) P-C4' energy: -70.027
flat angles C4'-P-C4' energy: -60.160
flat angles P-C4'-P energy: -35.534
tors. eta vs tors. theta energy: -74.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -736.221786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.221786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.221786 (E_RNA)
where:
Base-Base interactions energy: -468.976
where: short stacking energy: -194.533
Base-Backbone interact. energy: -0.165
local terms energy: -267.080327
where:
bonds (distance) C4'-P energy: -62.145
bonds (distance) P-C4' energy: -61.308
flat angles C4'-P-C4' energy: -63.798
flat angles P-C4'-P energy: -32.812
tors. eta vs tors. theta energy: -47.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -525.833293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.833293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.833293 (E_RNA)
where:
Base-Base interactions energy: -290.572
where: short stacking energy: -146.085
Base-Backbone interact. energy: -0.901
local terms energy: -234.359607
where:
bonds (distance) C4'-P energy: -66.163
bonds (distance) P-C4' energy: -67.083
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -29.939
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: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -551.303516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.303516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.303516 (E_RNA)
where:
Base-Base interactions energy: -343.440
where: short stacking energy: -171.717
Base-Backbone interact. energy: -1.524
local terms energy: -206.339767
where:
bonds (distance) C4'-P energy: -51.383
bonds (distance) P-C4' energy: -47.307
flat angles C4'-P-C4' energy: -39.597
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: -25.046
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: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -290.654722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.654722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.654722 (E_RNA)
where:
Base-Base interactions energy: -102.092
where: short stacking energy: -75.139
Base-Backbone interact. energy: -0.329
local terms energy: -188.233691
where:
bonds (distance) C4'-P energy: -54.593
bonds (distance) P-C4' energy: -57.406
flat angles C4'-P-C4' energy: -49.984
flat angles P-C4'-P energy: -31.399
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: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -263.050655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.050655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.050655 (E_RNA)
where:
Base-Base interactions energy: -100.010
where: short stacking energy: -88.140
Base-Backbone interact. energy: 0.697
local terms energy: -163.737101
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -61.665
flat angles C4'-P-C4' energy: -39.029
flat angles P-C4'-P energy: -32.726
tors. eta vs tors. theta energy: 4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1164.804324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.804324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.804324 (E_RNA)
where:
Base-Base interactions energy: -814.425
where: short stacking energy: -319.813
Base-Backbone interact. energy: 0.284
local terms energy: -350.662613
where:
bonds (distance) C4'-P energy: -60.736
bonds (distance) P-C4' energy: -63.608
flat angles C4'-P-C4' energy: -69.253
flat angles P-C4'-P energy: -59.148
tors. eta vs tors. theta energy: -97.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1088.937500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.937500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.937500 (E_RNA)
where:
Base-Base interactions energy: -730.341
where: short stacking energy: -320.648
Base-Backbone interact. energy: 0.047
local terms energy: -358.643484
where:
bonds (distance) C4'-P energy: -64.372
bonds (distance) P-C4' energy: -67.767
flat angles C4'-P-C4' energy: -69.881
flat angles P-C4'-P energy: -53.821
tors. eta vs tors. theta energy: -102.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -965.215530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.215530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.215530 (E_RNA)
where:
Base-Base interactions energy: -636.749
where: short stacking energy: -280.897
Base-Backbone interact. energy: -1.850
local terms energy: -326.616265
where:
bonds (distance) C4'-P energy: -65.148
bonds (distance) P-C4' energy: -55.257
flat angles C4'-P-C4' energy: -71.623
flat angles P-C4'-P energy: -42.707
tors. eta vs tors. theta energy: -91.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -953.151103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.151103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.151103 (E_RNA)
where:
Base-Base interactions energy: -623.168
where: short stacking energy: -261.769
Base-Backbone interact. energy: -1.072
local terms energy: -328.910143
where:
bonds (distance) C4'-P energy: -62.802
bonds (distance) P-C4' energy: -72.222
flat angles C4'-P-C4' energy: -71.105
flat angles P-C4'-P energy: -49.181
tors. eta vs tors. theta energy: -73.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -915.421497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.421497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.421497 (E_RNA)
where:
Base-Base interactions energy: -618.742
where: short stacking energy: -262.414
Base-Backbone interact. energy: 0.800
local terms energy: -297.478867
where:
bonds (distance) C4'-P energy: -60.552
bonds (distance) P-C4' energy: -63.596
flat angles C4'-P-C4' energy: -61.755
flat angles P-C4'-P energy: -43.257
tors. eta vs tors. theta energy: -68.320
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: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -704.955258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.955258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.955258 (E_RNA)
where:
Base-Base interactions energy: -442.786
where: short stacking energy: -207.093
Base-Backbone interact. energy: 0.315
local terms energy: -262.483491
where:
bonds (distance) C4'-P energy: -59.476
bonds (distance) P-C4' energy: -56.758
flat angles C4'-P-C4' energy: -60.543
flat angles P-C4'-P energy: -36.437
tors. eta vs tors. theta energy: -49.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -579.141600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.141600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.141600 (E_RNA)
where:
Base-Base interactions energy: -353.780
where: short stacking energy: -165.479
Base-Backbone interact. energy: 3.565
local terms energy: -228.926922
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -54.617
flat angles C4'-P-C4' energy: -67.927
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -29.278
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: 8, replica: 3
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -471.413446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.413446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.413446 (E_RNA)
where:
Base-Base interactions energy: -263.968
where: short stacking energy: -127.348
Base-Backbone interact. energy: 0.242
local terms energy: -207.687801
where:
bonds (distance) C4'-P energy: -52.673
bonds (distance) P-C4' energy: -55.116
flat angles C4'-P-C4' energy: -52.708
flat angles P-C4'-P energy: -31.377
tors. eta vs tors. theta energy: -15.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -301.330603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.330603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.330603 (E_RNA)
where:
Base-Base interactions energy: -129.218
where: short stacking energy: -104.090
Base-Backbone interact. energy: 0.374
local terms energy: -172.485846
where:
bonds (distance) C4'-P energy: -52.913
bonds (distance) P-C4' energy: -57.034
flat angles C4'-P-C4' energy: -51.823
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: 6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -272.203983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.203983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.203983 (E_RNA)
where:
Base-Base interactions energy: -93.860
where: short stacking energy: -70.283
Base-Backbone interact. energy: -0.862
local terms energy: -177.482164
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -62.731
flat angles C4'-P-C4' energy: -44.343
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: 7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1153.405187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.405187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.405187 (E_RNA)
where:
Base-Base interactions energy: -783.498
where: short stacking energy: -323.569
Base-Backbone interact. energy: -0.586
local terms energy: -369.321906
where:
bonds (distance) C4'-P energy: -71.420
bonds (distance) P-C4' energy: -75.135
flat angles C4'-P-C4' energy: -73.904
flat angles P-C4'-P energy: -49.002
tors. eta vs tors. theta energy: -99.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1123.020106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.020106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.020106 (E_RNA)
where:
Base-Base interactions energy: -766.724
where: short stacking energy: -330.035
Base-Backbone interact. energy: 1.369
local terms energy: -357.664740
where:
bonds (distance) C4'-P energy: -54.717
bonds (distance) P-C4' energy: -69.170
flat angles C4'-P-C4' energy: -78.202
flat angles P-C4'-P energy: -49.096
tors. eta vs tors. theta energy: -106.480
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: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -997.832773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.832773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.832773 (E_RNA)
where:
Base-Base interactions energy: -660.093
where: short stacking energy: -292.355
Base-Backbone interact. energy: -0.198
local terms energy: -337.541580
where:
bonds (distance) C4'-P energy: -61.683
bonds (distance) P-C4' energy: -59.926
flat angles C4'-P-C4' energy: -75.849
flat angles P-C4'-P energy: -52.105
tors. eta vs tors. theta energy: -87.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -934.125987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.125987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.125987 (E_RNA)
where:
Base-Base interactions energy: -611.021
where: short stacking energy: -271.156
Base-Backbone interact. energy: 1.724
local terms energy: -324.829622
where:
bonds (distance) C4'-P energy: -58.266
bonds (distance) P-C4' energy: -76.744
flat angles C4'-P-C4' energy: -70.324
flat angles P-C4'-P energy: -47.441
tors. eta vs tors. theta energy: -72.055
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: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -876.283024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.283024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.283024 (E_RNA)
where:
Base-Base interactions energy: -598.997
where: short stacking energy: -254.321
Base-Backbone interact. energy: -1.909
local terms energy: -275.377278
where:
bonds (distance) C4'-P energy: -56.157
bonds (distance) P-C4' energy: -62.832
flat angles C4'-P-C4' energy: -63.821
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -65.079
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: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -707.585637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.585637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.585637 (E_RNA)
where:
Base-Base interactions energy: -423.014
where: short stacking energy: -208.088
Base-Backbone interact. energy: -1.713
local terms energy: -282.858600
where:
bonds (distance) C4'-P energy: -66.357
bonds (distance) P-C4' energy: -69.215
flat angles C4'-P-C4' energy: -56.193
flat angles P-C4'-P energy: -48.567
tors. eta vs tors. theta energy: -42.527
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: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -635.342191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.342191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.342191 (E_RNA)
where:
Base-Base interactions energy: -362.566
where: short stacking energy: -184.872
Base-Backbone interact. energy: -1.340
local terms energy: -271.436555
where:
bonds (distance) C4'-P energy: -53.156
bonds (distance) P-C4' energy: -67.330
flat angles C4'-P-C4' energy: -70.123
flat angles P-C4'-P energy: -31.150
tors. eta vs tors. theta energy: -49.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -443.729389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.729389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.729389 (E_RNA)
where:
Base-Base interactions energy: -240.820
where: short stacking energy: -123.565
Base-Backbone interact. energy: -0.243
local terms energy: -202.666028
where:
bonds (distance) C4'-P energy: -51.735
bonds (distance) P-C4' energy: -47.824
flat angles C4'-P-C4' energy: -58.183
flat angles P-C4'-P energy: -36.347
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -308.944943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.944943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.944943 (E_RNA)
where:
Base-Base interactions energy: -120.576
where: short stacking energy: -75.427
Base-Backbone interact. energy: 3.473
local terms energy: -191.841608
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -68.277
flat angles C4'-P-C4' energy: -47.706
flat angles P-C4'-P energy: -31.839
tors. eta vs tors. theta energy: 7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -287.032339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.032339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.032339 (E_RNA)
where:
Base-Base interactions energy: -114.085
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.863
local terms energy: -172.084452
where:
bonds (distance) C4'-P energy: -57.956
bonds (distance) P-C4' energy: -41.158
flat angles C4'-P-C4' energy: -54.125
flat angles P-C4'-P energy: -26.033
tors. eta vs tors. theta energy: 7.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1134.865871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.865871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.865871 (E_RNA)
where:
Base-Base interactions energy: -767.035
where: short stacking energy: -341.744
Base-Backbone interact. energy: -0.914
local terms energy: -366.917040
where:
bonds (distance) C4'-P energy: -59.541
bonds (distance) P-C4' energy: -71.231
flat angles C4'-P-C4' energy: -73.756
flat angles P-C4'-P energy: -56.796
tors. eta vs tors. theta energy: -105.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1114.669719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.669719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.669719 (E_RNA)
where:
Base-Base interactions energy: -769.923
where: short stacking energy: -315.558
Base-Backbone interact. energy: 0.928
local terms energy: -345.674972
where:
bonds (distance) C4'-P energy: -49.018
bonds (distance) P-C4' energy: -62.208
flat angles C4'-P-C4' energy: -73.864
flat angles P-C4'-P energy: -55.791
tors. eta vs tors. theta energy: -104.794
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: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -977.094506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.094506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.094506 (E_RNA)
where:
Base-Base interactions energy: -648.102
where: short stacking energy: -277.165
Base-Backbone interact. energy: -0.154
local terms energy: -328.838960
where:
bonds (distance) C4'-P energy: -61.459
bonds (distance) P-C4' energy: -60.324
flat angles C4'-P-C4' energy: -70.020
flat angles P-C4'-P energy: -51.978
tors. eta vs tors. theta energy: -85.058
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: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -935.321980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.321980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.321980 (E_RNA)
where:
Base-Base interactions energy: -611.334
where: short stacking energy: -289.931
Base-Backbone interact. energy: -3.356
local terms energy: -320.632439
where:
bonds (distance) C4'-P energy: -69.086
bonds (distance) P-C4' energy: -58.963
flat angles C4'-P-C4' energy: -69.900
flat angles P-C4'-P energy: -44.670
tors. eta vs tors. theta energy: -78.013
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: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -866.639737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.639737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.639737 (E_RNA)
where:
Base-Base interactions energy: -567.684
where: short stacking energy: -217.274
Base-Backbone interact. energy: -1.389
local terms energy: -297.566711
where:
bonds (distance) C4'-P energy: -57.336
bonds (distance) P-C4' energy: -58.820
flat angles C4'-P-C4' energy: -76.733
flat angles P-C4'-P energy: -44.376
tors. eta vs tors. theta energy: -60.302
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: 226
Temperature: 1.150000
Total energy: -761.856573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.856573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.856573 (E_RNA)
where:
Base-Base interactions energy: -471.768
where: short stacking energy: -207.518
Base-Backbone interact. energy: -0.058
local terms energy: -290.030696
where:
bonds (distance) C4'-P energy: -62.039
bonds (distance) P-C4' energy: -60.207
flat angles C4'-P-C4' energy: -69.791
flat angles P-C4'-P energy: -38.890
tors. eta vs tors. theta energy: -59.104
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: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -566.880663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.880663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.880663 (E_RNA)
where:
Base-Base interactions energy: -324.155
where: short stacking energy: -143.422
Base-Backbone interact. energy: -0.153
local terms energy: -242.572395
where:
bonds (distance) C4'-P energy: -58.012
bonds (distance) P-C4' energy: -63.528
flat angles C4'-P-C4' energy: -54.945
flat angles P-C4'-P energy: -36.141
tors. eta vs tors. theta energy: -29.946
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: 226
Temperature: 1.250000
Total energy: -440.718473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.718473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.718473 (E_RNA)
where:
Base-Base interactions energy: -226.284
where: short stacking energy: -124.257
Base-Backbone interact. energy: 2.470
local terms energy: -217.694368
where:
bonds (distance) C4'-P energy: -61.257
bonds (distance) P-C4' energy: -58.964
flat angles C4'-P-C4' energy: -46.383
flat angles P-C4'-P energy: -40.709
tors. eta vs tors. theta energy: -10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.790 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -306.209367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.209367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.209367 (E_RNA)
where:
Base-Base interactions energy: -127.386
where: short stacking energy: -90.480
Base-Backbone interact. energy: -0.793
local terms energy: -178.029997
where:
bonds (distance) C4'-P energy: -52.469
bonds (distance) P-C4' energy: -49.399
flat angles C4'-P-C4' energy: -46.560
flat angles P-C4'-P energy: -29.307
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -272.556514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.556514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.556514 (E_RNA)
where:
Base-Base interactions energy: -89.577
where: short stacking energy: -59.792
Base-Backbone interact. energy: 0.604
local terms energy: -183.583853
where:
bonds (distance) C4'-P energy: -51.428
bonds (distance) P-C4' energy: -60.622
flat angles C4'-P-C4' energy: -49.780
flat angles P-C4'-P energy: -32.932
tors. eta vs tors. theta energy: 11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1102.345155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.345155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.345155 (E_RNA)
where:
Base-Base interactions energy: -757.026
where: short stacking energy: -325.875
Base-Backbone interact. energy: -0.711
local terms energy: -345.030344
where:
bonds (distance) C4'-P energy: -58.208
bonds (distance) P-C4' energy: -64.280
flat angles C4'-P-C4' energy: -66.109
flat angles P-C4'-P energy: -55.252
tors. eta vs tors. theta energy: -101.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1118.726244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.726244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.726244 (E_RNA)
where:
Base-Base interactions energy: -769.647
where: short stacking energy: -327.845
Base-Backbone interact. energy: 0.727
local terms energy: -349.947480
where:
bonds (distance) C4'-P energy: -51.377
bonds (distance) P-C4' energy: -63.683
flat angles C4'-P-C4' energy: -78.779
flat angles P-C4'-P energy: -52.117
tors. eta vs tors. theta energy: -103.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.141 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -972.582790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.582790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.582790 (E_RNA)
where:
Base-Base interactions energy: -661.219
where: short stacking energy: -287.102
Base-Backbone interact. energy: 1.436
local terms energy: -312.799767
where:
bonds (distance) C4'-P energy: -59.626
bonds (distance) P-C4' energy: -53.218
flat angles C4'-P-C4' energy: -77.650
flat angles P-C4'-P energy: -37.770
tors. eta vs tors. theta energy: -84.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -936.227880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.227880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.227880 (E_RNA)
where:
Base-Base interactions energy: -614.582
where: short stacking energy: -272.804
Base-Backbone interact. energy: -1.240
local terms energy: -320.405963
where:
bonds (distance) C4'-P energy: -66.618
bonds (distance) P-C4' energy: -64.772
flat angles C4'-P-C4' energy: -69.539
flat angles P-C4'-P energy: -37.877
tors. eta vs tors. theta energy: -81.600
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: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -886.038117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.038117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.038117 (E_RNA)
where:
Base-Base interactions energy: -594.261
where: short stacking energy: -265.726
Base-Backbone interact. energy: -1.827
local terms energy: -289.950003
where:
bonds (distance) C4'-P energy: -62.453
bonds (distance) P-C4' energy: -57.244
flat angles C4'-P-C4' energy: -67.670
flat angles P-C4'-P energy: -43.442
tors. eta vs tors. theta energy: -59.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -695.689857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.689857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.689857 (E_RNA)
where:
Base-Base interactions energy: -427.779
where: short stacking energy: -186.457
Base-Backbone interact. energy: -0.220
local terms energy: -267.691078
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -58.608
flat angles C4'-P-C4' energy: -60.400
flat angles P-C4'-P energy: -36.712
tors. eta vs tors. theta energy: -48.048
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: 227
Temperature: 1.200000
Total energy: -513.121913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.121913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.121913 (E_RNA)
where:
Base-Base interactions energy: -281.719
where: short stacking energy: -154.667
Base-Backbone interact. energy: 1.038
local terms energy: -232.441894
where:
bonds (distance) C4'-P energy: -52.236
bonds (distance) P-C4' energy: -61.428
flat angles C4'-P-C4' energy: -60.512
flat angles P-C4'-P energy: -33.465
tors. eta vs tors. theta energy: -24.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -440.643848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.643848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.643848 (E_RNA)
where:
Base-Base interactions energy: -220.092
where: short stacking energy: -129.444
Base-Backbone interact. energy: 2.336
local terms energy: -222.887298
where:
bonds (distance) C4'-P energy: -62.857
bonds (distance) P-C4' energy: -59.350
flat angles C4'-P-C4' energy: -58.999
flat angles P-C4'-P energy: -30.499
tors. eta vs tors. theta energy: -11.182
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: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -302.177132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.177132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.177132 (E_RNA)
where:
Base-Base interactions energy: -107.841
where: short stacking energy: -73.750
Base-Backbone interact. energy: 1.214
local terms energy: -195.550013
where:
bonds (distance) C4'-P energy: -55.945
bonds (distance) P-C4' energy: -57.271
flat angles C4'-P-C4' energy: -55.427
flat angles P-C4'-P energy: -31.691
tors. eta vs tors. theta energy: 4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -278.483068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.483068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.483068 (E_RNA)
where:
Base-Base interactions energy: -83.691
where: short stacking energy: -78.070
Base-Backbone interact. energy: -0.938
local terms energy: -193.854540
where:
bonds (distance) C4'-P energy: -59.028
bonds (distance) P-C4' energy: -63.051
flat angles C4'-P-C4' energy: -48.610
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1158.218666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.218666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.218666 (E_RNA)
where:
Base-Base interactions energy: -786.241
where: short stacking energy: -320.856
Base-Backbone interact. energy: -0.716
local terms energy: -371.657115
where:
bonds (distance) C4'-P energy: -65.950
bonds (distance) P-C4' energy: -73.967
flat angles C4'-P-C4' energy: -72.956
flat angles P-C4'-P energy: -55.009
tors. eta vs tors. theta energy: -103.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.395 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1082.805468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.805468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.805468 (E_RNA)
where:
Base-Base interactions energy: -732.263
where: short stacking energy: -319.811
Base-Backbone interact. energy: -1.153
local terms energy: -349.389038
where:
bonds (distance) C4'-P energy: -64.236
bonds (distance) P-C4' energy: -68.092
flat angles C4'-P-C4' energy: -78.845
flat angles P-C4'-P energy: -45.215
tors. eta vs tors. theta energy: -93.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -994.597452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.597452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.597452 (E_RNA)
where:
Base-Base interactions energy: -669.993
where: short stacking energy: -278.282
Base-Backbone interact. energy: -0.916
local terms energy: -323.687659
where:
bonds (distance) C4'-P energy: -59.284
bonds (distance) P-C4' energy: -60.261
flat angles C4'-P-C4' energy: -72.370
flat angles P-C4'-P energy: -53.920
tors. eta vs tors. theta energy: -77.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -915.419599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.419599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.419599 (E_RNA)
where:
Base-Base interactions energy: -601.276
where: short stacking energy: -266.191
Base-Backbone interact. energy: -1.712
local terms energy: -312.431274
where:
bonds (distance) C4'-P energy: -58.900
bonds (distance) P-C4' energy: -62.081
flat angles C4'-P-C4' energy: -64.206
flat angles P-C4'-P energy: -47.116
tors. eta vs tors. theta energy: -80.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -848.686034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.686034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.686034 (E_RNA)
where:
Base-Base interactions energy: -575.700
where: short stacking energy: -236.829
Base-Backbone interact. energy: -2.465
local terms energy: -270.521268
where:
bonds (distance) C4'-P energy: -52.732
bonds (distance) P-C4' energy: -46.342
flat angles C4'-P-C4' energy: -61.104
flat angles P-C4'-P energy: -51.742
tors. eta vs tors. theta energy: -58.601
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: 6
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -650.323363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.323363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.323363 (E_RNA)
where:
Base-Base interactions energy: -394.693
where: short stacking energy: -197.027
Base-Backbone interact. energy: -0.978
local terms energy: -254.652649
where:
bonds (distance) C4'-P energy: -61.361
bonds (distance) P-C4' energy: -64.644
flat angles C4'-P-C4' energy: -52.859
flat angles P-C4'-P energy: -36.945
tors. eta vs tors. theta energy: -38.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -489.214866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.214866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.214866 (E_RNA)
where:
Base-Base interactions energy: -261.661
where: short stacking energy: -152.195
Base-Backbone interact. energy: -1.287
local terms energy: -226.267137
where:
bonds (distance) C4'-P energy: -45.796
bonds (distance) P-C4' energy: -55.320
flat angles C4'-P-C4' energy: -52.373
flat angles P-C4'-P energy: -45.736
tors. eta vs tors. theta energy: -27.041
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: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -426.730871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.730871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.730871 (E_RNA)
where:
Base-Base interactions energy: -206.918
where: short stacking energy: -120.259
Base-Backbone interact. energy: -1.403
local terms energy: -218.410033
where:
bonds (distance) C4'-P energy: -55.512
bonds (distance) P-C4' energy: -69.937
flat angles C4'-P-C4' energy: -40.864
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -299.975394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.975394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.975394 (E_RNA)
where:
Base-Base interactions energy: -118.269
where: short stacking energy: -108.610
Base-Backbone interact. energy: 1.507
local terms energy: -183.213414
where:
bonds (distance) C4'-P energy: -50.724
bonds (distance) P-C4' energy: -66.897
flat angles C4'-P-C4' energy: -44.899
flat angles P-C4'-P energy: -24.962
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: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -270.359394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.359394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.359394 (E_RNA)
where:
Base-Base interactions energy: -100.285
where: short stacking energy: -84.694
Base-Backbone interact. energy: -1.042
local terms energy: -169.296168
where:
bonds (distance) C4'-P energy: -51.600
bonds (distance) P-C4' energy: -49.715
flat angles C4'-P-C4' energy: -45.804
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: 1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.264 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1159.595514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.595514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.595514 (E_RNA)
where:
Base-Base interactions energy: -796.865
where: short stacking energy: -313.455
Base-Backbone interact. energy: -2.655
local terms energy: -360.075663
where:
bonds (distance) C4'-P energy: -64.600
bonds (distance) P-C4' energy: -76.170
flat angles C4'-P-C4' energy: -67.968
flat angles P-C4'-P energy: -47.700
tors. eta vs tors. theta energy: -103.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1088.149736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.149736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.149736 (E_RNA)
where:
Base-Base interactions energy: -736.252
where: short stacking energy: -330.609
Base-Backbone interact. energy: -0.380
local terms energy: -351.517838
where:
bonds (distance) C4'-P energy: -65.705
bonds (distance) P-C4' energy: -64.735
flat angles C4'-P-C4' energy: -80.378
flat angles P-C4'-P energy: -41.473
tors. eta vs tors. theta energy: -99.227
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: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -965.267160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.267160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.267160 (E_RNA)
where:
Base-Base interactions energy: -650.699
where: short stacking energy: -273.460
Base-Backbone interact. energy: 0.184
local terms energy: -314.752337
where:
bonds (distance) C4'-P energy: -70.603
bonds (distance) P-C4' energy: -67.455
flat angles C4'-P-C4' energy: -59.687
flat angles P-C4'-P energy: -38.278
tors. eta vs tors. theta energy: -78.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -947.215655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.215655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.215655 (E_RNA)
where:
Base-Base interactions energy: -628.406
where: short stacking energy: -280.479
Base-Backbone interact. energy: -1.463
local terms energy: -317.346010
where:
bonds (distance) C4'-P energy: -65.939
bonds (distance) P-C4' energy: -65.696
flat angles C4'-P-C4' energy: -62.946
flat angles P-C4'-P energy: -43.148
tors. eta vs tors. theta energy: -79.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -867.280057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.280057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.280057 (E_RNA)
where:
Base-Base interactions energy: -576.842
where: short stacking energy: -241.679
Base-Backbone interact. energy: -0.992
local terms energy: -289.445371
where:
bonds (distance) C4'-P energy: -51.818
bonds (distance) P-C4' energy: -60.258
flat angles C4'-P-C4' energy: -65.352
flat angles P-C4'-P energy: -49.091
tors. eta vs tors. theta energy: -62.926
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: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -668.800114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.800114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.800114 (E_RNA)
where:
Base-Base interactions energy: -402.900
where: short stacking energy: -197.121
Base-Backbone interact. energy: -2.583
local terms energy: -263.316418
where:
bonds (distance) C4'-P energy: -55.708
bonds (distance) P-C4' energy: -55.521
flat angles C4'-P-C4' energy: -69.940
flat angles P-C4'-P energy: -38.781
tors. eta vs tors. theta energy: -43.367
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: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -490.205935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.205935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.205935 (E_RNA)
where:
Base-Base interactions energy: -227.005
where: short stacking energy: -126.037
Base-Backbone interact. energy: -2.280
local terms energy: -260.920541
where:
bonds (distance) C4'-P energy: -66.983
bonds (distance) P-C4' energy: -70.576
flat angles C4'-P-C4' energy: -65.434
flat angles P-C4'-P energy: -30.470
tors. eta vs tors. theta energy: -27.458
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: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -429.163913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.163913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.163913 (E_RNA)
where:
Base-Base interactions energy: -218.508
where: short stacking energy: -123.570
Base-Backbone interact. energy: 0.463
local terms energy: -211.118777
where:
bonds (distance) C4'-P energy: -61.052
bonds (distance) P-C4' energy: -74.984
flat angles C4'-P-C4' energy: -49.962
flat angles P-C4'-P energy: -18.270
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -293.755895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.755895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.755895 (E_RNA)
where:
Base-Base interactions energy: -104.307
where: short stacking energy: -90.958
Base-Backbone interact. energy: -0.546
local terms energy: -188.902545
where:
bonds (distance) C4'-P energy: -57.745
bonds (distance) P-C4' energy: -56.901
flat angles C4'-P-C4' energy: -42.516
flat angles P-C4'-P energy: -36.310
tors. eta vs tors. theta energy: 4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -263.298868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.298868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.298868 (E_RNA)
where:
Base-Base interactions energy: -98.250
where: short stacking energy: -72.363
Base-Backbone interact. energy: -2.171
local terms energy: -162.877551
where:
bonds (distance) C4'-P energy: -49.197
bonds (distance) P-C4' energy: -64.447
flat angles C4'-P-C4' energy: -46.268
flat angles P-C4'-P energy: -19.201
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: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1166.185754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.185754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.185754 (E_RNA)
where:
Base-Base interactions energy: -798.115
where: short stacking energy: -307.181
Base-Backbone interact. energy: -0.862
local terms energy: -367.208825
where:
bonds (distance) C4'-P energy: -66.230
bonds (distance) P-C4' energy: -64.069
flat angles C4'-P-C4' energy: -75.102
flat angles P-C4'-P energy: -55.182
tors. eta vs tors. theta energy: -106.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1092.593602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.593602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.593602 (E_RNA)
where:
Base-Base interactions energy: -754.709
where: short stacking energy: -304.699
Base-Backbone interact. energy: -0.108
local terms energy: -337.776326
where:
bonds (distance) C4'-P energy: -66.616
bonds (distance) P-C4' energy: -70.247
flat angles C4'-P-C4' energy: -63.105
flat angles P-C4'-P energy: -48.323
tors. eta vs tors. theta energy: -89.486
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: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -988.902212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.902212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.902212 (E_RNA)
where:
Base-Base interactions energy: -660.903
where: short stacking energy: -293.826
Base-Backbone interact. energy: -0.238
local terms energy: -327.761366
where:
bonds (distance) C4'-P energy: -64.962
bonds (distance) P-C4' energy: -66.905
flat angles C4'-P-C4' energy: -74.401
flat angles P-C4'-P energy: -38.490
tors. eta vs tors. theta energy: -83.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -898.560714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.560714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.560714 (E_RNA)
where:
Base-Base interactions energy: -587.929
where: short stacking energy: -266.493
Base-Backbone interact. energy: -1.819
local terms energy: -308.812639
where:
bonds (distance) C4'-P energy: -71.446
bonds (distance) P-C4' energy: -62.254
flat angles C4'-P-C4' energy: -64.298
flat angles P-C4'-P energy: -41.685
tors. eta vs tors. theta energy: -69.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -863.639894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.639894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.639894 (E_RNA)
where:
Base-Base interactions energy: -567.089
where: short stacking energy: -237.203
Base-Backbone interact. energy: -0.699
local terms energy: -295.852216
where:
bonds (distance) C4'-P energy: -64.654
bonds (distance) P-C4' energy: -60.707
flat angles C4'-P-C4' energy: -74.999
flat angles P-C4'-P energy: -38.009
tors. eta vs tors. theta energy: -57.482
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: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -694.748449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.748449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.748449 (E_RNA)
where:
Base-Base interactions energy: -445.497
where: short stacking energy: -195.160
Base-Backbone interact. energy: -2.121
local terms energy: -247.130699
where:
bonds (distance) C4'-P energy: -57.131
bonds (distance) P-C4' energy: -58.613
flat angles C4'-P-C4' energy: -64.351
flat angles P-C4'-P energy: -32.758
tors. eta vs tors. theta energy: -34.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -477.064037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.064037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.064037 (E_RNA)
where:
Base-Base interactions energy: -248.375
where: short stacking energy: -135.124
Base-Backbone interact. energy: 3.422
local terms energy: -232.110445
where:
bonds (distance) C4'-P energy: -61.509
bonds (distance) P-C4' energy: -63.452
flat angles C4'-P-C4' energy: -53.012
flat angles P-C4'-P energy: -38.282
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -440.001124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.001124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.001124 (E_RNA)
where:
Base-Base interactions energy: -238.474
where: short stacking energy: -130.866
Base-Backbone interact. energy: -1.315
local terms energy: -200.212063
where:
bonds (distance) C4'-P energy: -48.785
bonds (distance) P-C4' energy: -54.375
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -28.533
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -292.579869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.579869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.579869 (E_RNA)
where:
Base-Base interactions energy: -105.066
where: short stacking energy: -70.949
Base-Backbone interact. energy: 0.044
local terms energy: -187.557205
where:
bonds (distance) C4'-P energy: -55.915
bonds (distance) P-C4' energy: -62.829
flat angles C4'-P-C4' energy: -49.726
flat angles P-C4'-P energy: -29.047
tors. eta vs tors. theta energy: 9.960
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: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -271.192561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.192561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.192561 (E_RNA)
where:
Base-Base interactions energy: -111.320
where: short stacking energy: -93.401
Base-Backbone interact. energy: -1.435
local terms energy: -158.437922
where:
bonds (distance) C4'-P energy: -46.487
bonds (distance) P-C4' energy: -33.579
flat angles C4'-P-C4' energy: -41.769
flat angles P-C4'-P energy: -34.738
tors. eta vs tors. theta energy: -1.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1152.729002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.729002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.729002 (E_RNA)
where:
Base-Base interactions energy: -809.145
where: short stacking energy: -305.436
Base-Backbone interact. energy: -0.627
local terms energy: -342.956719
where:
bonds (distance) C4'-P energy: -57.106
bonds (distance) P-C4' energy: -64.162
flat angles C4'-P-C4' energy: -74.020
flat angles P-C4'-P energy: -48.282
tors. eta vs tors. theta energy: -99.386
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: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1069.188973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.188973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.188973 (E_RNA)
where:
Base-Base interactions energy: -727.512
where: short stacking energy: -302.591
Base-Backbone interact. energy: -0.341
local terms energy: -341.336001
where:
bonds (distance) C4'-P energy: -64.522
bonds (distance) P-C4' energy: -63.039
flat angles C4'-P-C4' energy: -70.096
flat angles P-C4'-P energy: -44.997
tors. eta vs tors. theta energy: -98.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -985.505816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.505816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.505816 (E_RNA)
where:
Base-Base interactions energy: -670.786
where: short stacking energy: -277.133
Base-Backbone interact. energy: 0.817
local terms energy: -315.536954
where:
bonds (distance) C4'-P energy: -62.811
bonds (distance) P-C4' energy: -56.829
flat angles C4'-P-C4' energy: -62.281
flat angles P-C4'-P energy: -49.076
tors. eta vs tors. theta energy: -84.539
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: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -918.620659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.620659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.620659 (E_RNA)
where:
Base-Base interactions energy: -614.402
where: short stacking energy: -264.085
Base-Backbone interact. energy: 2.881
local terms energy: -307.099557
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -59.631
flat angles C4'-P-C4' energy: -65.187
flat angles P-C4'-P energy: -48.688
tors. eta vs tors. theta energy: -68.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -844.747316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.747316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.747316 (E_RNA)
where:
Base-Base interactions energy: -548.312
where: short stacking energy: -224.637
Base-Backbone interact. energy: 0.237
local terms energy: -296.672793
where:
bonds (distance) C4'-P energy: -65.387
bonds (distance) P-C4' energy: -61.439
flat angles C4'-P-C4' energy: -65.874
flat angles P-C4'-P energy: -41.564
tors. eta vs tors. theta energy: -62.409
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: 231
Temperature: 1.150000
Total energy: -701.370959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.370959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.370959 (E_RNA)
where:
Base-Base interactions energy: -424.757
where: short stacking energy: -191.944
Base-Backbone interact. energy: -1.049
local terms energy: -275.564305
where:
bonds (distance) C4'-P energy: -63.824
bonds (distance) P-C4' energy: -65.731
flat angles C4'-P-C4' energy: -69.762
flat angles P-C4'-P energy: -34.892
tors. eta vs tors. theta energy: -41.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -550.686183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.686183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.686183 (E_RNA)
where:
Base-Base interactions energy: -316.190
where: short stacking energy: -146.675
Base-Backbone interact. energy: -1.836
local terms energy: -233.235840
where:
bonds (distance) C4'-P energy: -60.581
bonds (distance) P-C4' energy: -62.454
flat angles C4'-P-C4' energy: -51.963
flat angles P-C4'-P energy: -26.098
tors. eta vs tors. theta energy: -32.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.576 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -432.631862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.631862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.631862 (E_RNA)
where:
Base-Base interactions energy: -234.166
where: short stacking energy: -116.348
Base-Backbone interact. energy: -1.645
local terms energy: -196.820408
where:
bonds (distance) C4'-P energy: -47.997
bonds (distance) P-C4' energy: -49.529
flat angles C4'-P-C4' energy: -46.815
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -14.207
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: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -290.854320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.854320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.854320 (E_RNA)
where:
Base-Base interactions energy: -113.433
where: short stacking energy: -78.269
Base-Backbone interact. energy: 1.631
local terms energy: -179.051645
where:
bonds (distance) C4'-P energy: -44.271
bonds (distance) P-C4' energy: -58.058
flat angles C4'-P-C4' energy: -56.064
flat angles P-C4'-P energy: -34.798
tors. eta vs tors. theta energy: 14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -257.360936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.360936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.360936 (E_RNA)
where:
Base-Base interactions energy: -76.986
where: short stacking energy: -50.917
Base-Backbone interact. energy: -1.188
local terms energy: -179.187197
where:
bonds (distance) C4'-P energy: -45.271
bonds (distance) P-C4' energy: -58.152
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: 12.332
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: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1128.743181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.743181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.743181 (E_RNA)
where:
Base-Base interactions energy: -767.802
where: short stacking energy: -306.173
Base-Backbone interact. energy: -1.712
local terms energy: -360.099599
where:
bonds (distance) C4'-P energy: -71.309
bonds (distance) P-C4' energy: -72.625
flat angles C4'-P-C4' energy: -73.890
flat angles P-C4'-P energy: -43.540
tors. eta vs tors. theta energy: -98.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.871 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1081.382360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.382360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.382360 (E_RNA)
where:
Base-Base interactions energy: -727.027
where: short stacking energy: -293.356
Base-Backbone interact. energy: -1.213
local terms energy: -353.142592
where:
bonds (distance) C4'-P energy: -60.075
bonds (distance) P-C4' energy: -71.436
flat angles C4'-P-C4' energy: -68.581
flat angles P-C4'-P energy: -55.081
tors. eta vs tors. theta energy: -97.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -978.984658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.984658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.984658 (E_RNA)
where:
Base-Base interactions energy: -649.060
where: short stacking energy: -262.006
Base-Backbone interact. energy: -2.515
local terms energy: -327.409714
where:
bonds (distance) C4'-P energy: -64.554
bonds (distance) P-C4' energy: -70.920
flat angles C4'-P-C4' energy: -61.483
flat angles P-C4'-P energy: -46.703
tors. eta vs tors. theta energy: -83.750
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: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -937.229438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.229438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.229438 (E_RNA)
where:
Base-Base interactions energy: -622.094
where: short stacking energy: -261.540
Base-Backbone interact. energy: -1.855
local terms energy: -313.281139
where:
bonds (distance) C4'-P energy: -54.662
bonds (distance) P-C4' energy: -71.060
flat angles C4'-P-C4' energy: -64.151
flat angles P-C4'-P energy: -46.203
tors. eta vs tors. theta energy: -77.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -861.637492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.637492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.637492 (E_RNA)
where:
Base-Base interactions energy: -548.411
where: short stacking energy: -241.123
Base-Backbone interact. energy: 0.387
local terms energy: -313.613269
where:
bonds (distance) C4'-P energy: -64.798
bonds (distance) P-C4' energy: -66.856
flat angles C4'-P-C4' energy: -58.382
flat angles P-C4'-P energy: -42.983
tors. eta vs tors. theta energy: -80.594
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: 232
Temperature: 1.150000
Total energy: -711.193402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.193402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.193402 (E_RNA)
where:
Base-Base interactions energy: -447.996
where: short stacking energy: -188.057
Base-Backbone interact. energy: -1.554
local terms energy: -261.643747
where:
bonds (distance) C4'-P energy: -60.580
bonds (distance) P-C4' energy: -59.796
flat angles C4'-P-C4' energy: -62.350
flat angles P-C4'-P energy: -39.077
tors. eta vs tors. theta energy: -39.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -539.850908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.850908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.850908 (E_RNA)
where:
Base-Base interactions energy: -297.871
where: short stacking energy: -165.968
Base-Backbone interact. energy: -0.285
local terms energy: -242.372520
where:
bonds (distance) C4'-P energy: -59.210
bonds (distance) P-C4' energy: -51.997
flat angles C4'-P-C4' energy: -61.292
flat angles P-C4'-P energy: -32.962
tors. eta vs tors. theta energy: -36.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.678 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -405.276572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.276572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.276572 (E_RNA)
where:
Base-Base interactions energy: -218.436
where: short stacking energy: -140.038
Base-Backbone interact. energy: -2.962
local terms energy: -183.877949
where:
bonds (distance) C4'-P energy: -51.729
bonds (distance) P-C4' energy: -50.145
flat angles C4'-P-C4' energy: -41.985
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -11.866
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: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -287.067875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.067875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.067875 (E_RNA)
where:
Base-Base interactions energy: -81.847
where: short stacking energy: -67.571
Base-Backbone interact. energy: 2.338
local terms energy: -207.559355
where:
bonds (distance) C4'-P energy: -62.395
bonds (distance) P-C4' energy: -68.258
flat angles C4'-P-C4' energy: -57.740
flat angles P-C4'-P energy: -33.379
tors. eta vs tors. theta energy: 14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -255.474143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.474143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.474143 (E_RNA)
where:
Base-Base interactions energy: -92.090
where: short stacking energy: -74.790
Base-Backbone interact. energy: 0.885
local terms energy: -164.269826
where:
bonds (distance) C4'-P energy: -56.189
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -58.449
flat angles P-C4'-P energy: -29.573
tors. eta vs tors. theta energy: 29.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1161.402325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.402325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.402325 (E_RNA)
where:
Base-Base interactions energy: -811.035
where: short stacking energy: -317.221
Base-Backbone interact. energy: -1.541
local terms energy: -348.826483
where:
bonds (distance) C4'-P energy: -70.799
bonds (distance) P-C4' energy: -73.307
flat angles C4'-P-C4' energy: -65.983
flat angles P-C4'-P energy: -41.181
tors. eta vs tors. theta energy: -97.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1098.567729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.567729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.567729 (E_RNA)
where:
Base-Base interactions energy: -732.344
where: short stacking energy: -319.279
Base-Backbone interact. energy: 0.071
local terms energy: -366.294658
where:
bonds (distance) C4'-P energy: -64.089
bonds (distance) P-C4' energy: -73.490
flat angles C4'-P-C4' energy: -74.302
flat angles P-C4'-P energy: -50.481
tors. eta vs tors. theta energy: -103.932
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: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -994.493367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.493367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.493367 (E_RNA)
where:
Base-Base interactions energy: -691.988
where: short stacking energy: -285.696
Base-Backbone interact. energy: -0.301
local terms energy: -302.321762
where:
bonds (distance) C4'-P energy: -54.034
bonds (distance) P-C4' energy: -64.391
flat angles C4'-P-C4' energy: -61.724
flat angles P-C4'-P energy: -40.339
tors. eta vs tors. theta energy: -81.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -890.951640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.951640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.951640 (E_RNA)
where:
Base-Base interactions energy: -594.147
where: short stacking energy: -244.209
Base-Backbone interact. energy: -0.065
local terms energy: -296.739478
where:
bonds (distance) C4'-P energy: -59.145
bonds (distance) P-C4' energy: -67.434
flat angles C4'-P-C4' energy: -56.353
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -70.036
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: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -831.704363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.704363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.704363 (E_RNA)
where:
Base-Base interactions energy: -538.838
where: short stacking energy: -244.479
Base-Backbone interact. energy: -0.137
local terms energy: -292.729273
where:
bonds (distance) C4'-P energy: -65.011
bonds (distance) P-C4' energy: -65.363
flat angles C4'-P-C4' energy: -59.690
flat angles P-C4'-P energy: -34.862
tors. eta vs tors. theta energy: -67.803
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: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -743.626517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.626517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.626517 (E_RNA)
where:
Base-Base interactions energy: -455.314
where: short stacking energy: -191.941
Base-Backbone interact. energy: 1.827
local terms energy: -290.139897
where:
bonds (distance) C4'-P energy: -63.972
bonds (distance) P-C4' energy: -65.641
flat angles C4'-P-C4' energy: -62.642
flat angles P-C4'-P energy: -42.568
tors. eta vs tors. theta energy: -55.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -549.144523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.144523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.144523 (E_RNA)
where:
Base-Base interactions energy: -324.771
where: short stacking energy: -152.195
Base-Backbone interact. energy: -0.923
local terms energy: -223.451244
where:
bonds (distance) C4'-P energy: -52.476
bonds (distance) P-C4' energy: -69.412
flat angles C4'-P-C4' energy: -50.420
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -24.473
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: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -423.342462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.342462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.342462 (E_RNA)
where:
Base-Base interactions energy: -214.110
where: short stacking energy: -126.947
Base-Backbone interact. energy: 0.324
local terms energy: -209.556617
where:
bonds (distance) C4'-P energy: -46.975
bonds (distance) P-C4' energy: -50.642
flat angles C4'-P-C4' energy: -62.968
flat angles P-C4'-P energy: -38.042
tors. eta vs tors. theta energy: -10.929
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: 233
Temperature: 1.300000
Total energy: -301.902183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.902183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.902183 (E_RNA)
where:
Base-Base interactions energy: -121.538
where: short stacking energy: -67.435
Base-Backbone interact. energy: -1.910
local terms energy: -178.454216
where:
bonds (distance) C4'-P energy: -52.728
bonds (distance) P-C4' energy: -62.627
flat angles C4'-P-C4' energy: -52.329
flat angles P-C4'-P energy: -25.606
tors. eta vs tors. theta energy: 14.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -271.282859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.282859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.282859 (E_RNA)
where:
Base-Base interactions energy: -67.937
where: short stacking energy: -58.539
Base-Backbone interact. energy: -0.282
local terms energy: -203.064392
where:
bonds (distance) C4'-P energy: -53.475
bonds (distance) P-C4' energy: -60.778
flat angles C4'-P-C4' energy: -60.420
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1127.159595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.159595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.159595 (E_RNA)
where:
Base-Base interactions energy: -743.134
where: short stacking energy: -327.474
Base-Backbone interact. energy: -0.553
local terms energy: -383.472040
where:
bonds (distance) C4'-P energy: -72.331
bonds (distance) P-C4' energy: -74.397
flat angles C4'-P-C4' energy: -72.263
flat angles P-C4'-P energy: -62.454
tors. eta vs tors. theta energy: -102.027
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: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1132.852406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.852406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.852406 (E_RNA)
where:
Base-Base interactions energy: -774.339
where: short stacking energy: -304.101
Base-Backbone interact. energy: -0.385
local terms energy: -358.129198
where:
bonds (distance) C4'-P energy: -66.736
bonds (distance) P-C4' energy: -74.190
flat angles C4'-P-C4' energy: -70.390
flat angles P-C4'-P energy: -49.362
tors. eta vs tors. theta energy: -97.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -994.229833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.229833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.229833 (E_RNA)
where:
Base-Base interactions energy: -653.242
where: short stacking energy: -274.683
Base-Backbone interact. energy: -0.671
local terms energy: -340.316381
where:
bonds (distance) C4'-P energy: -69.856
bonds (distance) P-C4' energy: -63.801
flat angles C4'-P-C4' energy: -73.002
flat angles P-C4'-P energy: -42.276
tors. eta vs tors. theta energy: -91.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -895.693880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.693880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.693880 (E_RNA)
where:
Base-Base interactions energy: -568.572
where: short stacking energy: -241.761
Base-Backbone interact. energy: 0.626
local terms energy: -327.747606
where:
bonds (distance) C4'-P energy: -70.922
bonds (distance) P-C4' energy: -73.637
flat angles C4'-P-C4' energy: -73.913
flat angles P-C4'-P energy: -39.585
tors. eta vs tors. theta energy: -69.691
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: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -830.355772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.355772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.355772 (E_RNA)
where:
Base-Base interactions energy: -553.254
where: short stacking energy: -226.939
Base-Backbone interact. energy: -0.375
local terms energy: -276.727589
where:
bonds (distance) C4'-P energy: -59.854
bonds (distance) P-C4' energy: -64.796
flat angles C4'-P-C4' energy: -50.644
flat angles P-C4'-P energy: -40.765
tors. eta vs tors. theta energy: -60.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -700.438112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.438112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.438112 (E_RNA)
where:
Base-Base interactions energy: -460.995
where: short stacking energy: -198.294
Base-Backbone interact. energy: -0.991
local terms energy: -238.452038
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -62.895
flat angles C4'-P-C4' energy: -51.606
flat angles P-C4'-P energy: -43.025
tors. eta vs tors. theta energy: -38.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -568.726159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.726159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.726159 (E_RNA)
where:
Base-Base interactions energy: -319.488
where: short stacking energy: -178.868
Base-Backbone interact. energy: -1.049
local terms energy: -248.189155
where:
bonds (distance) C4'-P energy: -58.512
bonds (distance) P-C4' energy: -59.731
flat angles C4'-P-C4' energy: -61.237
flat angles P-C4'-P energy: -36.297
tors. eta vs tors. theta energy: -32.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -417.758481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.758481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.758481 (E_RNA)
where:
Base-Base interactions energy: -201.241
where: short stacking energy: -116.591
Base-Backbone interact. energy: 0.015
local terms energy: -216.532444
where:
bonds (distance) C4'-P energy: -54.261
bonds (distance) P-C4' energy: -63.110
flat angles C4'-P-C4' energy: -57.505
flat angles P-C4'-P energy: -33.579
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -295.214771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.214771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.214771 (E_RNA)
where:
Base-Base interactions energy: -102.894
where: short stacking energy: -80.780
Base-Backbone interact. energy: -2.152
local terms energy: -190.169023
where:
bonds (distance) C4'-P energy: -44.270
bonds (distance) P-C4' energy: -64.642
flat angles C4'-P-C4' energy: -55.024
flat angles P-C4'-P energy: -31.804
tors. eta vs tors. theta energy: 5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -261.833859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.833859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.833859 (E_RNA)
where:
Base-Base interactions energy: -90.695
where: short stacking energy: -62.895
Base-Backbone interact. energy: -0.627
local terms energy: -170.512351
where:
bonds (distance) C4'-P energy: -61.661
bonds (distance) P-C4' energy: -51.610
flat angles C4'-P-C4' energy: -44.080
flat angles P-C4'-P energy: -37.453
tors. eta vs tors. theta energy: 24.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1126.209653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.209653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.209653 (E_RNA)
where:
Base-Base interactions energy: -765.466
where: short stacking energy: -313.496
Base-Backbone interact. energy: -2.553
local terms energy: -358.190358
where:
bonds (distance) C4'-P energy: -65.382
bonds (distance) P-C4' energy: -62.973
flat angles C4'-P-C4' energy: -74.457
flat angles P-C4'-P energy: -55.806
tors. eta vs tors. theta energy: -99.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1130.384486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.384486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.384486 (E_RNA)
where:
Base-Base interactions energy: -772.701
where: short stacking energy: -301.822
Base-Backbone interact. energy: -1.201
local terms energy: -356.482150
where:
bonds (distance) C4'-P energy: -70.400
bonds (distance) P-C4' energy: -69.098
flat angles C4'-P-C4' energy: -70.004
flat angles P-C4'-P energy: -53.795
tors. eta vs tors. theta energy: -93.185
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: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1049.285004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.285004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.285004 (E_RNA)
where:
Base-Base interactions energy: -696.969
where: short stacking energy: -309.726
Base-Backbone interact. energy: -1.129
local terms energy: -351.187167
where:
bonds (distance) C4'-P energy: -68.518
bonds (distance) P-C4' energy: -66.583
flat angles C4'-P-C4' energy: -75.720
flat angles P-C4'-P energy: -51.487
tors. eta vs tors. theta energy: -88.879
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: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -884.759739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.759739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.759739 (E_RNA)
where:
Base-Base interactions energy: -602.715
where: short stacking energy: -259.593
Base-Backbone interact. energy: 0.308
local terms energy: -282.352688
where:
bonds (distance) C4'-P energy: -52.865
bonds (distance) P-C4' energy: -54.034
flat angles C4'-P-C4' energy: -63.767
flat angles P-C4'-P energy: -43.659
tors. eta vs tors. theta energy: -68.027
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: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -850.434511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.434511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.434511 (E_RNA)
where:
Base-Base interactions energy: -566.433
where: short stacking energy: -224.952
Base-Backbone interact. energy: 0.215
local terms energy: -284.216072
where:
bonds (distance) C4'-P energy: -60.242
bonds (distance) P-C4' energy: -63.308
flat angles C4'-P-C4' energy: -60.300
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -61.424
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: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -640.760289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.760289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.760289 (E_RNA)
where:
Base-Base interactions energy: -390.393
where: short stacking energy: -189.200
Base-Backbone interact. energy: -0.994
local terms energy: -249.373473
where:
bonds (distance) C4'-P energy: -50.145
bonds (distance) P-C4' energy: -67.200
flat angles C4'-P-C4' energy: -61.501
flat angles P-C4'-P energy: -38.334
tors. eta vs tors. theta energy: -32.195
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: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -540.646865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.646865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.646865 (E_RNA)
where:
Base-Base interactions energy: -309.265
where: short stacking energy: -144.005
Base-Backbone interact. energy: 3.313
local terms energy: -234.695497
where:
bonds (distance) C4'-P energy: -56.161
bonds (distance) P-C4' energy: -73.455
flat angles C4'-P-C4' energy: -53.271
flat angles P-C4'-P energy: -39.264
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -410.059093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.059093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.059093 (E_RNA)
where:
Base-Base interactions energy: -209.017
where: short stacking energy: -138.216
Base-Backbone interact. energy: 7.140
local terms energy: -208.181922
where:
bonds (distance) C4'-P energy: -55.527
bonds (distance) P-C4' energy: -61.087
flat angles C4'-P-C4' energy: -44.985
flat angles P-C4'-P energy: -34.171
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -285.052619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.052619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.052619 (E_RNA)
where:
Base-Base interactions energy: -118.124
where: short stacking energy: -85.453
Base-Backbone interact. energy: 1.450
local terms energy: -168.378430
where:
bonds (distance) C4'-P energy: -53.756
bonds (distance) P-C4' energy: -73.081
flat angles C4'-P-C4' energy: -47.215
flat angles P-C4'-P energy: -1.481
tors. eta vs tors. theta energy: 7.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -277.598044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.598044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.598044 (E_RNA)
where:
Base-Base interactions energy: -93.762
where: short stacking energy: -78.139
Base-Backbone interact. energy: -0.982
local terms energy: -182.853660
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -51.046
flat angles C4'-P-C4' energy: -57.833
flat angles P-C4'-P energy: -35.348
tors. eta vs tors. theta energy: 3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1137.702766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.702766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.702766 (E_RNA)
where:
Base-Base interactions energy: -777.195
where: short stacking energy: -320.248
Base-Backbone interact. energy: -0.175
local terms energy: -360.331912
where:
bonds (distance) C4'-P energy: -63.749
bonds (distance) P-C4' energy: -68.223
flat angles C4'-P-C4' energy: -78.790
flat angles P-C4'-P energy: -52.288
tors. eta vs tors. theta energy: -97.282
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: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1080.787141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.787141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.787141 (E_RNA)
where:
Base-Base interactions energy: -720.059
where: short stacking energy: -331.319
Base-Backbone interact. energy: -0.702
local terms energy: -360.025649
where:
bonds (distance) C4'-P energy: -63.809
bonds (distance) P-C4' energy: -68.009
flat angles C4'-P-C4' energy: -70.559
flat angles P-C4'-P energy: -58.164
tors. eta vs tors. theta energy: -99.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -985.040490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.040490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.040490 (E_RNA)
where:
Base-Base interactions energy: -668.709
where: short stacking energy: -287.177
Base-Backbone interact. energy: 0.033
local terms energy: -316.364228
where:
bonds (distance) C4'-P energy: -55.999
bonds (distance) P-C4' energy: -64.615
flat angles C4'-P-C4' energy: -70.224
flat angles P-C4'-P energy: -48.985
tors. eta vs tors. theta energy: -76.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -920.909526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.909526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.909526 (E_RNA)
where:
Base-Base interactions energy: -605.449
where: short stacking energy: -272.481
Base-Backbone interact. energy: -1.447
local terms energy: -314.013732
where:
bonds (distance) C4'-P energy: -74.419
bonds (distance) P-C4' energy: -59.387
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -40.141
tors. eta vs tors. theta energy: -78.456
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: 10
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -843.833556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.833556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.833556 (E_RNA)
where:
Base-Base interactions energy: -537.225
where: short stacking energy: -225.887
Base-Backbone interact. energy: 0.539
local terms energy: -307.146808
where:
bonds (distance) C4'-P energy: -49.909
bonds (distance) P-C4' energy: -69.946
flat angles C4'-P-C4' energy: -70.712
flat angles P-C4'-P energy: -51.058
tors. eta vs tors. theta energy: -65.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -703.063282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.063282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.063282 (E_RNA)
where:
Base-Base interactions energy: -419.619
where: short stacking energy: -202.072
Base-Backbone interact. energy: -0.645
local terms energy: -282.799794
where:
bonds (distance) C4'-P energy: -65.951
bonds (distance) P-C4' energy: -62.636
flat angles C4'-P-C4' energy: -52.486
flat angles P-C4'-P energy: -37.301
tors. eta vs tors. theta energy: -64.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -629.075744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.075744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.075744 (E_RNA)
where:
Base-Base interactions energy: -381.177
where: short stacking energy: -175.733
Base-Backbone interact. energy: -0.475
local terms energy: -247.424395
where:
bonds (distance) C4'-P energy: -56.896
bonds (distance) P-C4' energy: -51.906
flat angles C4'-P-C4' energy: -63.823
flat angles P-C4'-P energy: -35.718
tors. eta vs tors. theta energy: -39.081
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: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -408.412060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.412060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.412060 (E_RNA)
where:
Base-Base interactions energy: -200.218
where: short stacking energy: -117.206
Base-Backbone interact. energy: -2.475
local terms energy: -207.759864
where:
bonds (distance) C4'-P energy: -64.974
bonds (distance) P-C4' energy: -72.286
flat angles C4'-P-C4' energy: -50.095
flat angles P-C4'-P energy: -23.959
tors. eta vs tors. theta energy: 3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.041 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -283.875914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.875914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.875914 (E_RNA)
where:
Base-Base interactions energy: -85.666
where: short stacking energy: -47.600
Base-Backbone interact. energy: -1.608
local terms energy: -196.602358
where:
bonds (distance) C4'-P energy: -61.548
bonds (distance) P-C4' energy: -65.326
flat angles C4'-P-C4' energy: -47.213
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: 7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -278.331603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.331603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.331603 (E_RNA)
where:
Base-Base interactions energy: -96.574
where: short stacking energy: -85.673
Base-Backbone interact. energy: -3.388
local terms energy: -178.369259
where:
bonds (distance) C4'-P energy: -42.544
bonds (distance) P-C4' energy: -67.459
flat angles C4'-P-C4' energy: -45.765
flat angles P-C4'-P energy: -27.210
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: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1141.309647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.309647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.309647 (E_RNA)
where:
Base-Base interactions energy: -790.364
where: short stacking energy: -316.037
Base-Backbone interact. energy: 0.994
local terms energy: -353.118084
where:
bonds (distance) C4'-P energy: -68.062
bonds (distance) P-C4' energy: -68.453
flat angles C4'-P-C4' energy: -72.923
flat angles P-C4'-P energy: -49.542
tors. eta vs tors. theta energy: -94.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.178 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1089.750695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.750695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.750695 (E_RNA)
where:
Base-Base interactions energy: -746.764
where: short stacking energy: -315.766
Base-Backbone interact. energy: -1.737
local terms energy: -341.250018
where:
bonds (distance) C4'-P energy: -68.507
bonds (distance) P-C4' energy: -57.571
flat angles C4'-P-C4' energy: -70.999
flat angles P-C4'-P energy: -48.271
tors. eta vs tors. theta energy: -95.902
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: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -980.708933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.708933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.708933 (E_RNA)
where:
Base-Base interactions energy: -667.128
where: short stacking energy: -274.407
Base-Backbone interact. energy: -1.046
local terms energy: -312.535134
where:
bonds (distance) C4'-P energy: -55.687
bonds (distance) P-C4' energy: -64.964
flat angles C4'-P-C4' energy: -76.084
flat angles P-C4'-P energy: -36.897
tors. eta vs tors. theta energy: -78.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -939.874149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.874149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.874149 (E_RNA)
where:
Base-Base interactions energy: -620.784
where: short stacking energy: -279.632
Base-Backbone interact. energy: -0.350
local terms energy: -318.739198
where:
bonds (distance) C4'-P energy: -61.732
bonds (distance) P-C4' energy: -61.954
flat angles C4'-P-C4' energy: -69.040
flat angles P-C4'-P energy: -45.415
tors. eta vs tors. theta energy: -80.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -850.286305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.286305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.286305 (E_RNA)
where:
Base-Base interactions energy: -554.570
where: short stacking energy: -238.421
Base-Backbone interact. energy: -0.288
local terms energy: -295.441153
where:
bonds (distance) C4'-P energy: -62.074
bonds (distance) P-C4' energy: -64.820
flat angles C4'-P-C4' energy: -65.444
flat angles P-C4'-P energy: -33.724
tors. eta vs tors. theta energy: -69.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.013 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -672.001159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.001159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.001159 (E_RNA)
where:
Base-Base interactions energy: -406.428
where: short stacking energy: -171.912
Base-Backbone interact. energy: -0.439
local terms energy: -265.133655
where:
bonds (distance) C4'-P energy: -61.021
bonds (distance) P-C4' energy: -65.162
flat angles C4'-P-C4' energy: -61.569
flat angles P-C4'-P energy: -36.863
tors. eta vs tors. theta energy: -40.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -696.994338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.994338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.994338 (E_RNA)
where:
Base-Base interactions energy: -447.155
where: short stacking energy: -216.130
Base-Backbone interact. energy: -0.314
local terms energy: -249.525234
where:
bonds (distance) C4'-P energy: -42.542
bonds (distance) P-C4' energy: -57.584
flat angles C4'-P-C4' energy: -60.516
flat angles P-C4'-P energy: -42.209
tors. eta vs tors. theta energy: -46.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -405.025582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.025582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.025582 (E_RNA)
where:
Base-Base interactions energy: -200.466
where: short stacking energy: -102.618
Base-Backbone interact. energy: -0.414
local terms energy: -204.145352
where:
bonds (distance) C4'-P energy: -71.246
bonds (distance) P-C4' energy: -56.301
flat angles C4'-P-C4' energy: -38.705
flat angles P-C4'-P energy: -35.923
tors. eta vs tors. theta energy: -1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -326.877513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.877513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.877513 (E_RNA)
where:
Base-Base interactions energy: -131.530
where: short stacking energy: -92.035
Base-Backbone interact. energy: 0.244
local terms energy: -195.591480
where:
bonds (distance) C4'-P energy: -68.037
bonds (distance) P-C4' energy: -57.272
flat angles C4'-P-C4' energy: -43.698
flat angles P-C4'-P energy: -26.603
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: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -282.688128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.688128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.688128 (E_RNA)
where:
Base-Base interactions energy: -99.419
where: short stacking energy: -81.841
Base-Backbone interact. energy: -2.166
local terms energy: -181.103537
where:
bonds (distance) C4'-P energy: -55.177
bonds (distance) P-C4' energy: -55.490
flat angles C4'-P-C4' energy: -52.473
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: 11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1144.482272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.482272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.482272 (E_RNA)
where:
Base-Base interactions energy: -785.086
where: short stacking energy: -303.748
Base-Backbone interact. energy: 1.316
local terms energy: -360.711548
where:
bonds (distance) C4'-P energy: -68.985
bonds (distance) P-C4' energy: -70.927
flat angles C4'-P-C4' energy: -74.060
flat angles P-C4'-P energy: -50.710
tors. eta vs tors. theta energy: -96.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1086.156826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.156826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.156826 (E_RNA)
where:
Base-Base interactions energy: -727.946
where: short stacking energy: -302.418
Base-Backbone interact. energy: -0.683
local terms energy: -357.527805
where:
bonds (distance) C4'-P energy: -70.860
bonds (distance) P-C4' energy: -71.953
flat angles C4'-P-C4' energy: -73.074
flat angles P-C4'-P energy: -48.096
tors. eta vs tors. theta energy: -93.544
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: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -959.623090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.623090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.623090 (E_RNA)
where:
Base-Base interactions energy: -625.709
where: short stacking energy: -269.312
Base-Backbone interact. energy: -0.944
local terms energy: -332.970253
where:
bonds (distance) C4'-P energy: -67.802
bonds (distance) P-C4' energy: -63.893
flat angles C4'-P-C4' energy: -70.901
flat angles P-C4'-P energy: -50.201
tors. eta vs tors. theta energy: -80.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -929.854168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.854168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.854168 (E_RNA)
where:
Base-Base interactions energy: -607.172
where: short stacking energy: -249.487
Base-Backbone interact. energy: -1.923
local terms energy: -320.759821
where:
bonds (distance) C4'-P energy: -65.228
bonds (distance) P-C4' energy: -69.324
flat angles C4'-P-C4' energy: -70.593
flat angles P-C4'-P energy: -47.679
tors. eta vs tors. theta energy: -67.935
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: 5, replica: 10
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -856.654674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.654674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.654674 (E_RNA)
where:
Base-Base interactions energy: -577.027
where: short stacking energy: -252.464
Base-Backbone interact. energy: 0.491
local terms energy: -280.118743
where:
bonds (distance) C4'-P energy: -63.813
bonds (distance) P-C4' energy: -54.662
flat angles C4'-P-C4' energy: -71.819
flat angles P-C4'-P energy: -26.770
tors. eta vs tors. theta energy: -63.054
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: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -666.774824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.774824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.774824 (E_RNA)
where:
Base-Base interactions energy: -416.370
where: short stacking energy: -191.343
Base-Backbone interact. energy: -1.117
local terms energy: -249.287802
where:
bonds (distance) C4'-P energy: -52.332
bonds (distance) P-C4' energy: -56.021
flat angles C4'-P-C4' energy: -64.679
flat angles P-C4'-P energy: -37.313
tors. eta vs tors. theta energy: -38.942
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: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -680.524634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.524634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.524634 (E_RNA)
where:
Base-Base interactions energy: -409.776
where: short stacking energy: -210.811
Base-Backbone interact. energy: -1.209
local terms energy: -269.959727
where:
bonds (distance) C4'-P energy: -60.371
bonds (distance) P-C4' energy: -63.305
flat angles C4'-P-C4' energy: -50.474
flat angles P-C4'-P energy: -40.228
tors. eta vs tors. theta energy: -55.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.419 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -445.650536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.650536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.650536 (E_RNA)
where:
Base-Base interactions energy: -234.033
where: short stacking energy: -132.871
Base-Backbone interact. energy: -0.634
local terms energy: -210.982694
where:
bonds (distance) C4'-P energy: -54.707
bonds (distance) P-C4' energy: -55.997
flat angles C4'-P-C4' energy: -52.170
flat angles P-C4'-P energy: -38.045
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -289.528010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.528010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.528010 (E_RNA)
where:
Base-Base interactions energy: -103.595
where: short stacking energy: -75.744
Base-Backbone interact. energy: 0.302
local terms energy: -186.234979
where:
bonds (distance) C4'-P energy: -50.186
bonds (distance) P-C4' energy: -57.430
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: 1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -279.148709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.148709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.148709 (E_RNA)
where:
Base-Base interactions energy: -110.220
where: short stacking energy: -78.428
Base-Backbone interact. energy: 2.840
local terms energy: -171.769071
where:
bonds (distance) C4'-P energy: -52.232
bonds (distance) P-C4' energy: -54.800
flat angles C4'-P-C4' energy: -38.935
flat angles P-C4'-P energy: -31.907
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: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1148.588092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.588092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.588092 (E_RNA)
where:
Base-Base interactions energy: -797.534
where: short stacking energy: -306.636
Base-Backbone interact. energy: -1.085
local terms energy: -349.968773
where:
bonds (distance) C4'-P energy: -69.687
bonds (distance) P-C4' energy: -71.860
flat angles C4'-P-C4' energy: -71.739
flat angles P-C4'-P energy: -45.704
tors. eta vs tors. theta energy: -90.979
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: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1107.173185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.173185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.173185 (E_RNA)
where:
Base-Base interactions energy: -758.097
where: short stacking energy: -332.697
Base-Backbone interact. energy: 0.664
local terms energy: -349.740281
where:
bonds (distance) C4'-P energy: -66.359
bonds (distance) P-C4' energy: -69.440
flat angles C4'-P-C4' energy: -69.048
flat angles P-C4'-P energy: -51.467
tors. eta vs tors. theta energy: -93.425
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: 239
Temperature: 1.000000
Total energy: -952.758288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.758288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.758288 (E_RNA)
where:
Base-Base interactions energy: -625.516
where: short stacking energy: -262.645
Base-Backbone interact. energy: -1.273
local terms energy: -325.969691
where:
bonds (distance) C4'-P energy: -57.982
bonds (distance) P-C4' energy: -70.078
flat angles C4'-P-C4' energy: -67.490
flat angles P-C4'-P energy: -49.022
tors. eta vs tors. theta energy: -81.399
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: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -972.620843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.620843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.620843 (E_RNA)
where:
Base-Base interactions energy: -634.043
where: short stacking energy: -270.978
Base-Backbone interact. energy: -0.545
local terms energy: -338.032165
where:
bonds (distance) C4'-P energy: -63.213
bonds (distance) P-C4' energy: -65.130
flat angles C4'-P-C4' energy: -67.691
flat angles P-C4'-P energy: -54.871
tors. eta vs tors. theta energy: -87.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -888.873677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.873677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.873677 (E_RNA)
where:
Base-Base interactions energy: -575.308
where: short stacking energy: -254.804
Base-Backbone interact. energy: 0.440
local terms energy: -314.028148
where:
bonds (distance) C4'-P energy: -59.169
bonds (distance) P-C4' energy: -66.922
flat angles C4'-P-C4' energy: -60.454
flat angles P-C4'-P energy: -47.937
tors. eta vs tors. theta energy: -79.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.023 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -701.260948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.260948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.260948 (E_RNA)
where:
Base-Base interactions energy: -419.445
where: short stacking energy: -202.459
Base-Backbone interact. energy: -0.501
local terms energy: -281.314767
where:
bonds (distance) C4'-P energy: -60.216
bonds (distance) P-C4' energy: -55.861
flat angles C4'-P-C4' energy: -57.297
flat angles P-C4'-P energy: -46.808
tors. eta vs tors. theta energy: -61.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -596.241541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.241541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.241541 (E_RNA)
where:
Base-Base interactions energy: -352.736
where: short stacking energy: -162.462
Base-Backbone interact. energy: -1.497
local terms energy: -242.008286
where:
bonds (distance) C4'-P energy: -49.683
bonds (distance) P-C4' energy: -68.869
flat angles C4'-P-C4' energy: -54.608
flat angles P-C4'-P energy: -36.860
tors. eta vs tors. theta energy: -31.987
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: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -417.188858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.188858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.188858 (E_RNA)
where:
Base-Base interactions energy: -188.548
where: short stacking energy: -115.494
Base-Backbone interact. energy: -0.702
local terms energy: -227.938891
where:
bonds (distance) C4'-P energy: -65.386
bonds (distance) P-C4' energy: -68.210
flat angles C4'-P-C4' energy: -54.863
flat angles P-C4'-P energy: -31.604
tors. eta vs tors. theta energy: -7.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -291.218068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.218068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.218068 (E_RNA)
where:
Base-Base interactions energy: -116.594
where: short stacking energy: -94.748
Base-Backbone interact. energy: 4.495
local terms energy: -179.118294
where:
bonds (distance) C4'-P energy: -43.890
bonds (distance) P-C4' energy: -58.146
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -33.747
tors. eta vs tors. theta energy: 6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -274.472094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.472094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.472094 (E_RNA)
where:
Base-Base interactions energy: -115.815
where: short stacking energy: -68.837
Base-Backbone interact. energy: 0.345
local terms energy: -159.001757
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -49.769
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -24.742
tors. eta vs tors. theta energy: 13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1155.364434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.364434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.364434 (E_RNA)
where:
Base-Base interactions energy: -800.225
where: short stacking energy: -306.057
Base-Backbone interact. energy: -0.506
local terms energy: -354.634029
where:
bonds (distance) C4'-P energy: -69.327
bonds (distance) P-C4' energy: -63.812
flat angles C4'-P-C4' energy: -71.040
flat angles P-C4'-P energy: -53.452
tors. eta vs tors. theta energy: -97.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1088.505350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.505350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.505350 (E_RNA)
where:
Base-Base interactions energy: -734.797
where: short stacking energy: -298.586
Base-Backbone interact. energy: 0.370
local terms energy: -354.078184
where:
bonds (distance) C4'-P energy: -68.494
bonds (distance) P-C4' energy: -77.457
flat angles C4'-P-C4' energy: -74.324
flat angles P-C4'-P energy: -47.515
tors. eta vs tors. theta energy: -86.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -968.526068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.526068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.526068 (E_RNA)
where:
Base-Base interactions energy: -646.858
where: short stacking energy: -267.413
Base-Backbone interact. energy: -0.707
local terms energy: -320.961423
where:
bonds (distance) C4'-P energy: -59.498
bonds (distance) P-C4' energy: -67.883
flat angles C4'-P-C4' energy: -64.938
flat angles P-C4'-P energy: -51.054
tors. eta vs tors. theta energy: -77.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -950.708883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.708883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.708883 (E_RNA)
where:
Base-Base interactions energy: -641.405
where: short stacking energy: -261.727
Base-Backbone interact. energy: -0.489
local terms energy: -308.814948
where:
bonds (distance) C4'-P energy: -58.333
bonds (distance) P-C4' energy: -70.009
flat angles C4'-P-C4' energy: -63.393
flat angles P-C4'-P energy: -41.722
tors. eta vs tors. theta energy: -75.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -890.039894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.039894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.039894 (E_RNA)
where:
Base-Base interactions energy: -579.964
where: short stacking energy: -247.782
Base-Backbone interact. energy: -0.796
local terms energy: -309.279649
where:
bonds (distance) C4'-P energy: -59.255
bonds (distance) P-C4' energy: -53.470
flat angles C4'-P-C4' energy: -74.335
flat angles P-C4'-P energy: -47.217
tors. eta vs tors. theta energy: -75.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -693.050706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.050706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.050706 (E_RNA)
where:
Base-Base interactions energy: -396.604
where: short stacking energy: -181.189
Base-Backbone interact. energy: -1.077
local terms energy: -295.394644
where:
bonds (distance) C4'-P energy: -72.388
bonds (distance) P-C4' energy: -76.520
flat angles C4'-P-C4' energy: -62.365
flat angles P-C4'-P energy: -38.472
tors. eta vs tors. theta energy: -45.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.025 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -453.909717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.909717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.909717 (E_RNA)
where:
Base-Base interactions energy: -264.336
where: short stacking energy: -133.125
Base-Backbone interact. energy: 0.589
local terms energy: -190.162169
where:
bonds (distance) C4'-P energy: -52.136
bonds (distance) P-C4' energy: -52.395
flat angles C4'-P-C4' energy: -55.492
flat angles P-C4'-P energy: -14.457
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: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -524.617784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.617784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.617784 (E_RNA)
where:
Base-Base interactions energy: -303.494
where: short stacking energy: -145.859
Base-Backbone interact. energy: -1.154
local terms energy: -220.709136
where:
bonds (distance) C4'-P energy: -51.800
bonds (distance) P-C4' energy: -52.686
flat angles C4'-P-C4' energy: -65.249
flat angles P-C4'-P energy: -33.716
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.739 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -304.286887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.286887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.286887 (E_RNA)
where:
Base-Base interactions energy: -96.125
where: short stacking energy: -81.585
Base-Backbone interact. energy: -2.364
local terms energy: -205.797634
where:
bonds (distance) C4'-P energy: -55.459
bonds (distance) P-C4' energy: -57.917
flat angles C4'-P-C4' energy: -56.119
flat angles P-C4'-P energy: -35.350
tors. eta vs tors. theta energy: -0.952
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: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -338.212036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.212036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.212036 (E_RNA)
where:
Base-Base interactions energy: -124.842
where: short stacking energy: -88.307
Base-Backbone interact. energy: 0.408
local terms energy: -213.778029
where:
bonds (distance) C4'-P energy: -62.150
bonds (distance) P-C4' energy: -62.292
flat angles C4'-P-C4' energy: -53.515
flat angles P-C4'-P energy: -32.248
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: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1131.570554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.570554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.570554 (E_RNA)
where:
Base-Base interactions energy: -770.644
where: short stacking energy: -309.567
Base-Backbone interact. energy: -1.093
local terms energy: -359.833452
where:
bonds (distance) C4'-P energy: -71.035
bonds (distance) P-C4' energy: -70.657
flat angles C4'-P-C4' energy: -69.938
flat angles P-C4'-P energy: -57.519
tors. eta vs tors. theta energy: -90.684
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: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1082.210598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.210598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.210598 (E_RNA)
where:
Base-Base interactions energy: -744.971
where: short stacking energy: -318.554
Base-Backbone interact. energy: -0.181
local terms energy: -337.059183
where:
bonds (distance) C4'-P energy: -60.273
bonds (distance) P-C4' energy: -64.712
flat angles C4'-P-C4' energy: -67.157
flat angles P-C4'-P energy: -49.547
tors. eta vs tors. theta energy: -95.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -953.798425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.798425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.798425 (E_RNA)
where:
Base-Base interactions energy: -613.679
where: short stacking energy: -270.698
Base-Backbone interact. energy: -2.184
local terms energy: -337.934894
where:
bonds (distance) C4'-P energy: -65.344
bonds (distance) P-C4' energy: -63.031
flat angles C4'-P-C4' energy: -73.803
flat angles P-C4'-P energy: -46.004
tors. eta vs tors. theta energy: -89.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -934.908333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.908333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.908333 (E_RNA)
where:
Base-Base interactions energy: -622.327
where: short stacking energy: -263.307
Base-Backbone interact. energy: -0.408
local terms energy: -312.172922
where:
bonds (distance) C4'-P energy: -53.461
bonds (distance) P-C4' energy: -54.923
flat angles C4'-P-C4' energy: -74.559
flat angles P-C4'-P energy: -44.673
tors. eta vs tors. theta energy: -84.557
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: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -831.878858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.878858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.878858 (E_RNA)
where:
Base-Base interactions energy: -533.804
where: short stacking energy: -226.572
Base-Backbone interact. energy: 1.503
local terms energy: -300.789002
where:
bonds (distance) C4'-P energy: -56.726
bonds (distance) P-C4' energy: -69.165
flat angles C4'-P-C4' energy: -67.158
flat angles P-C4'-P energy: -48.024
tors. eta vs tors. theta energy: -59.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.211 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -733.995044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.995044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.995044 (E_RNA)
where:
Base-Base interactions energy: -462.933
where: short stacking energy: -223.127
Base-Backbone interact. energy: -0.496
local terms energy: -270.565636
where:
bonds (distance) C4'-P energy: -53.822
bonds (distance) P-C4' energy: -62.004
flat angles C4'-P-C4' energy: -65.303
flat angles P-C4'-P energy: -34.289
tors. eta vs tors. theta energy: -55.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -451.160443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.160443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.160443 (E_RNA)
where:
Base-Base interactions energy: -230.207
where: short stacking energy: -132.786
Base-Backbone interact. energy: 2.497
local terms energy: -223.450434
where:
bonds (distance) C4'-P energy: -65.707
bonds (distance) P-C4' energy: -61.700
flat angles C4'-P-C4' energy: -47.643
flat angles P-C4'-P energy: -30.318
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -534.725821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.725821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.725821 (E_RNA)
where:
Base-Base interactions energy: -310.887
where: short stacking energy: -132.224
Base-Backbone interact. energy: -1.081
local terms energy: -222.757543
where:
bonds (distance) C4'-P energy: -61.856
bonds (distance) P-C4' energy: -63.690
flat angles C4'-P-C4' energy: -50.180
flat angles P-C4'-P energy: -27.928
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: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -273.446718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.446718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.446718 (E_RNA)
where:
Base-Base interactions energy: -95.363
where: short stacking energy: -79.907
Base-Backbone interact. energy: 0.031
local terms energy: -178.114940
where:
bonds (distance) C4'-P energy: -56.921
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: 4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -305.018687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.018687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.018687 (E_RNA)
where:
Base-Base interactions energy: -117.978
where: short stacking energy: -65.144
Base-Backbone interact. energy: 2.564
local terms energy: -189.804702
where:
bonds (distance) C4'-P energy: -56.262
bonds (distance) P-C4' energy: -60.538
flat angles C4'-P-C4' energy: -53.413
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: 3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.199 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1151.715270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.715270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.715270 (E_RNA)
where:
Base-Base interactions energy: -792.163
where: short stacking energy: -317.167
Base-Backbone interact. energy: -2.438
local terms energy: -357.114738
where:
bonds (distance) C4'-P energy: -65.418
bonds (distance) P-C4' energy: -75.548
flat angles C4'-P-C4' energy: -75.363
flat angles P-C4'-P energy: -50.144
tors. eta vs tors. theta energy: -90.642
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: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1049.631416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.631416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.631416 (E_RNA)
where:
Base-Base interactions energy: -698.970
where: short stacking energy: -297.523
Base-Backbone interact. energy: -0.645
local terms energy: -350.016384
where:
bonds (distance) C4'-P energy: -69.136
bonds (distance) P-C4' energy: -59.339
flat angles C4'-P-C4' energy: -73.566
flat angles P-C4'-P energy: -54.336
tors. eta vs tors. theta energy: -93.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -936.955598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.955598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.955598 (E_RNA)
where:
Base-Base interactions energy: -602.157
where: short stacking energy: -287.104
Base-Backbone interact. energy: -1.768
local terms energy: -333.029939
where:
bonds (distance) C4'-P energy: -66.741
bonds (distance) P-C4' energy: -62.764
flat angles C4'-P-C4' energy: -70.845
flat angles P-C4'-P energy: -44.840
tors. eta vs tors. theta energy: -87.840
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: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -948.071875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.071875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.071875 (E_RNA)
where:
Base-Base interactions energy: -634.007
where: short stacking energy: -267.489
Base-Backbone interact. energy: 0.621
local terms energy: -314.685400
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -67.318
flat angles C4'-P-C4' energy: -62.842
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -78.632
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: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -815.589830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.589830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.589830 (E_RNA)
where:
Base-Base interactions energy: -525.222
where: short stacking energy: -225.050
Base-Backbone interact. energy: 0.992
local terms energy: -291.386058
where:
bonds (distance) C4'-P energy: -47.342
bonds (distance) P-C4' energy: -69.329
flat angles C4'-P-C4' energy: -71.042
flat angles P-C4'-P energy: -47.081
tors. eta vs tors. theta energy: -56.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.026 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -713.291295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.291295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.291295 (E_RNA)
where:
Base-Base interactions energy: -435.736
where: short stacking energy: -191.313
Base-Backbone interact. energy: 0.268
local terms energy: -277.822475
where:
bonds (distance) C4'-P energy: -59.918
bonds (distance) P-C4' energy: -64.132
flat angles C4'-P-C4' energy: -65.681
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: -44.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -532.859964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.859964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.859964 (E_RNA)
where:
Base-Base interactions energy: -314.199
where: short stacking energy: -133.941
Base-Backbone interact. energy: -1.591
local terms energy: -217.657339
where:
bonds (distance) C4'-P energy: -54.832
bonds (distance) P-C4' energy: -49.703
flat angles C4'-P-C4' energy: -57.478
flat angles P-C4'-P energy: -40.722
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.587 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -434.291277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.291277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.291277 (E_RNA)
where:
Base-Base interactions energy: -223.930
where: short stacking energy: -98.601
Base-Backbone interact. energy: -0.784
local terms energy: -209.577829
where:
bonds (distance) C4'-P energy: -62.378
bonds (distance) P-C4' energy: -60.874
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -38.167
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: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -305.818750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.818750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.818750 (E_RNA)
where:
Base-Base interactions energy: -122.953
where: short stacking energy: -75.293
Base-Backbone interact. energy: -0.544
local terms energy: -182.321887
where:
bonds (distance) C4'-P energy: -52.119
bonds (distance) P-C4' energy: -68.983
flat angles C4'-P-C4' energy: -49.342
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: 7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -258.723317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.723317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.723317 (E_RNA)
where:
Base-Base interactions energy: -85.226
where: short stacking energy: -81.957
Base-Backbone interact. energy: 0.029
local terms energy: -173.526540
where:
bonds (distance) C4'-P energy: -62.468
bonds (distance) P-C4' energy: -52.132
flat angles C4'-P-C4' energy: -45.123
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: 13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1133.957979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.957979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.957979 (E_RNA)
where:
Base-Base interactions energy: -776.950
where: short stacking energy: -302.532
Base-Backbone interact. energy: -0.938
local terms energy: -356.069568
where:
bonds (distance) C4'-P energy: -74.252
bonds (distance) P-C4' energy: -67.303
flat angles C4'-P-C4' energy: -69.363
flat angles P-C4'-P energy: -53.633
tors. eta vs tors. theta energy: -91.518
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: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1067.977393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.977393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.977393 (E_RNA)
where:
Base-Base interactions energy: -692.720
where: short stacking energy: -301.897
Base-Backbone interact. energy: -1.313
local terms energy: -373.945159
where:
bonds (distance) C4'-P energy: -76.484
bonds (distance) P-C4' energy: -76.775
flat angles C4'-P-C4' energy: -75.411
flat angles P-C4'-P energy: -47.897
tors. eta vs tors. theta energy: -97.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -954.448804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.448804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.448804 (E_RNA)
where:
Base-Base interactions energy: -626.638
where: short stacking energy: -280.008
Base-Backbone interact. energy: 1.533
local terms energy: -329.343371
where:
bonds (distance) C4'-P energy: -51.315
bonds (distance) P-C4' energy: -67.852
flat angles C4'-P-C4' energy: -70.123
flat angles P-C4'-P energy: -52.529
tors. eta vs tors. theta energy: -87.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -939.000817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.000817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.000817 (E_RNA)
where:
Base-Base interactions energy: -619.564
where: short stacking energy: -271.540
Base-Backbone interact. energy: -0.287
local terms energy: -319.149623
where:
bonds (distance) C4'-P energy: -64.512
bonds (distance) P-C4' energy: -60.127
flat angles C4'-P-C4' energy: -69.522
flat angles P-C4'-P energy: -46.595
tors. eta vs tors. theta energy: -78.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -836.238247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.238247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.238247 (E_RNA)
where:
Base-Base interactions energy: -547.281
where: short stacking energy: -231.889
Base-Backbone interact. energy: -0.856
local terms energy: -288.102053
where:
bonds (distance) C4'-P energy: -67.071
bonds (distance) P-C4' energy: -64.658
flat angles C4'-P-C4' energy: -54.735
flat angles P-C4'-P energy: -35.950
tors. eta vs tors. theta energy: -65.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -704.909970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.909970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.909970 (E_RNA)
where:
Base-Base interactions energy: -453.680
where: short stacking energy: -215.085
Base-Backbone interact. energy: -0.809
local terms energy: -250.902969
where:
bonds (distance) C4'-P energy: -60.012
bonds (distance) P-C4' energy: -55.510
flat angles C4'-P-C4' energy: -47.163
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: -45.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.482 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -567.061786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.061786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.061786 (E_RNA)
where:
Base-Base interactions energy: -335.020
where: short stacking energy: -157.488
Base-Backbone interact. energy: -2.009
local terms energy: -230.033007
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -64.582
flat angles C4'-P-C4' energy: -60.037
flat angles P-C4'-P energy: -28.278
tors. eta vs tors. theta energy: -28.678
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: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -422.590467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.590467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.590467 (E_RNA)
where:
Base-Base interactions energy: -231.378
where: short stacking energy: -137.834
Base-Backbone interact. energy: -0.995
local terms energy: -190.218175
where:
bonds (distance) C4'-P energy: -63.716
bonds (distance) P-C4' energy: -39.035
flat angles C4'-P-C4' energy: -44.769
flat angles P-C4'-P energy: -25.023
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -307.459079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.459079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.459079 (E_RNA)
where:
Base-Base interactions energy: -129.547
where: short stacking energy: -79.826
Base-Backbone interact. energy: -1.766
local terms energy: -176.146293
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -44.305
flat angles C4'-P-C4' energy: -44.589
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: 9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -259.403159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.403159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.403159 (E_RNA)
where:
Base-Base interactions energy: -99.572
where: short stacking energy: -71.067
Base-Backbone interact. energy: 0.828
local terms energy: -160.658414
where:
bonds (distance) C4'-P energy: -42.215
bonds (distance) P-C4' energy: -52.948
flat angles C4'-P-C4' energy: -48.958
flat angles P-C4'-P energy: -23.996
tors. eta vs tors. theta energy: 7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1134.301907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.301907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.301907 (E_RNA)
where:
Base-Base interactions energy: -769.046
where: short stacking energy: -301.343
Base-Backbone interact. energy: 0.188
local terms energy: -365.444120
where:
bonds (distance) C4'-P energy: -67.089
bonds (distance) P-C4' energy: -74.980
flat angles C4'-P-C4' energy: -74.253
flat angles P-C4'-P energy: -57.120
tors. eta vs tors. theta energy: -92.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1066.270698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.270698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.270698 (E_RNA)
where:
Base-Base interactions energy: -730.276
where: short stacking energy: -320.382
Base-Backbone interact. energy: -0.975
local terms energy: -335.019687
where:
bonds (distance) C4'-P energy: -59.057
bonds (distance) P-C4' energy: -61.057
flat angles C4'-P-C4' energy: -72.993
flat angles P-C4'-P energy: -43.291
tors. eta vs tors. theta energy: -98.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -978.357229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.357229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.357229 (E_RNA)
where:
Base-Base interactions energy: -662.997
where: short stacking energy: -257.899
Base-Backbone interact. energy: -1.233
local terms energy: -314.127871
where:
bonds (distance) C4'-P energy: -57.207
bonds (distance) P-C4' energy: -70.470
flat angles C4'-P-C4' energy: -71.283
flat angles P-C4'-P energy: -33.894
tors. eta vs tors. theta energy: -81.274
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: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -909.273486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.273486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.273486 (E_RNA)
where:
Base-Base interactions energy: -598.585
where: short stacking energy: -245.731
Base-Backbone interact. energy: -0.581
local terms energy: -310.107372
where:
bonds (distance) C4'-P energy: -65.720
bonds (distance) P-C4' energy: -63.915
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -54.146
tors. eta vs tors. theta energy: -63.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -793.553747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.553747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.553747 (E_RNA)
where:
Base-Base interactions energy: -497.852
where: short stacking energy: -233.184
Base-Backbone interact. energy: 0.674
local terms energy: -296.375725
where:
bonds (distance) C4'-P energy: -62.671
bonds (distance) P-C4' energy: -61.638
flat angles C4'-P-C4' energy: -64.136
flat angles P-C4'-P energy: -46.749
tors. eta vs tors. theta energy: -61.182
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: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -716.174176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.174176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.174176 (E_RNA)
where:
Base-Base interactions energy: -470.441
where: short stacking energy: -207.188
Base-Backbone interact. energy: 2.287
local terms energy: -248.019558
where:
bonds (distance) C4'-P energy: -65.029
bonds (distance) P-C4' energy: -53.238
flat angles C4'-P-C4' energy: -63.388
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -40.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -538.322579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.322579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.322579 (E_RNA)
where:
Base-Base interactions energy: -307.563
where: short stacking energy: -152.839
Base-Backbone interact. energy: -0.703
local terms energy: -230.056194
where:
bonds (distance) C4'-P energy: -53.224
bonds (distance) P-C4' energy: -67.100
flat angles C4'-P-C4' energy: -53.923
flat angles P-C4'-P energy: -35.813
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -387.711652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.711652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.711652 (E_RNA)
where:
Base-Base interactions energy: -171.265
where: short stacking energy: -99.568
Base-Backbone interact. energy: 4.771
local terms energy: -221.217439
where:
bonds (distance) C4'-P energy: -55.063
bonds (distance) P-C4' energy: -63.651
flat angles C4'-P-C4' energy: -63.810
flat angles P-C4'-P energy: -33.274
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -289.804419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.804419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.804419 (E_RNA)
where:
Base-Base interactions energy: -98.542
where: short stacking energy: -80.971
Base-Backbone interact. energy: -0.835
local terms energy: -190.428034
where:
bonds (distance) C4'-P energy: -58.380
bonds (distance) P-C4' energy: -59.761
flat angles C4'-P-C4' energy: -56.214
flat angles P-C4'-P energy: -26.034
tors. eta vs tors. theta energy: 9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -271.843564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.843564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.843564 (E_RNA)
where:
Base-Base interactions energy: -90.807
where: short stacking energy: -85.336
Base-Backbone interact. energy: -0.587
local terms energy: -180.449771
where:
bonds (distance) C4'-P energy: -46.098
bonds (distance) P-C4' energy: -51.268
flat angles C4'-P-C4' energy: -52.993
flat angles P-C4'-P energy: -31.021
tors. eta vs tors. theta energy: 0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1141.882830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.882830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.882830 (E_RNA)
where:
Base-Base interactions energy: -779.088
where: short stacking energy: -303.451
Base-Backbone interact. energy: -0.728
local terms energy: -362.067021
where:
bonds (distance) C4'-P energy: -63.283
bonds (distance) P-C4' energy: -75.231
flat angles C4'-P-C4' energy: -78.260
flat angles P-C4'-P energy: -49.798
tors. eta vs tors. theta energy: -95.495
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: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1053.685268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.685268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.685268 (E_RNA)
where:
Base-Base interactions energy: -721.860
where: short stacking energy: -297.810
Base-Backbone interact. energy: -0.278
local terms energy: -331.547009
where:
bonds (distance) C4'-P energy: -57.633
bonds (distance) P-C4' energy: -64.122
flat angles C4'-P-C4' energy: -77.046
flat angles P-C4'-P energy: -49.977
tors. eta vs tors. theta energy: -82.769
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: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -968.369222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.369222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.369222 (E_RNA)
where:
Base-Base interactions energy: -641.949
where: short stacking energy: -270.403
Base-Backbone interact. energy: -2.259
local terms energy: -324.160995
where:
bonds (distance) C4'-P energy: -56.081
bonds (distance) P-C4' energy: -65.328
flat angles C4'-P-C4' energy: -74.807
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -86.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -908.094878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.094878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.094878 (E_RNA)
where:
Base-Base interactions energy: -583.341
where: short stacking energy: -275.693
Base-Backbone interact. energy: 0.089
local terms energy: -324.842473
where:
bonds (distance) C4'-P energy: -63.335
bonds (distance) P-C4' energy: -61.456
flat angles C4'-P-C4' energy: -72.320
flat angles P-C4'-P energy: -46.528
tors. eta vs tors. theta energy: -81.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -795.414900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.414900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.414900 (E_RNA)
where:
Base-Base interactions energy: -500.247
where: short stacking energy: -212.873
Base-Backbone interact. energy: -0.822
local terms energy: -294.346191
where:
bonds (distance) C4'-P energy: -58.660
bonds (distance) P-C4' energy: -69.355
flat angles C4'-P-C4' energy: -77.585
flat angles P-C4'-P energy: -39.624
tors. eta vs tors. theta energy: -49.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -730.357061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.357061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.357061 (E_RNA)
where:
Base-Base interactions energy: -446.241
where: short stacking energy: -206.490
Base-Backbone interact. energy: -1.617
local terms energy: -282.499427
where:
bonds (distance) C4'-P energy: -55.545
bonds (distance) P-C4' energy: -62.849
flat angles C4'-P-C4' energy: -56.427
flat angles P-C4'-P energy: -50.290
tors. eta vs tors. theta energy: -57.389
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: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -579.910177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.910177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.910177 (E_RNA)
where:
Base-Base interactions energy: -345.057
where: short stacking energy: -169.821
Base-Backbone interact. energy: -1.067
local terms energy: -234.739646
where:
bonds (distance) C4'-P energy: -35.494
bonds (distance) P-C4' energy: -74.678
flat angles C4'-P-C4' energy: -55.843
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -36.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.954 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -412.552253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.552253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.552253 (E_RNA)
where:
Base-Base interactions energy: -213.669
where: short stacking energy: -104.137
Base-Backbone interact. energy: 0.974
local terms energy: -199.856920
where:
bonds (distance) C4'-P energy: -52.667
bonds (distance) P-C4' energy: -52.733
flat angles C4'-P-C4' energy: -58.548
flat angles P-C4'-P energy: -34.614
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: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -294.641806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.641806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.641806 (E_RNA)
where:
Base-Base interactions energy: -103.486
where: short stacking energy: -92.677
Base-Backbone interact. energy: 0.617
local terms energy: -191.772513
where:
bonds (distance) C4'-P energy: -50.917
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -46.331
flat angles P-C4'-P energy: -36.388
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -274.620105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.620105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.620105 (E_RNA)
where:
Base-Base interactions energy: -87.776
where: short stacking energy: -73.881
Base-Backbone interact. energy: -1.735
local terms energy: -185.108667
where:
bonds (distance) C4'-P energy: -61.696
bonds (distance) P-C4' energy: -63.546
flat angles C4'-P-C4' energy: -39.451
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: 0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1147.517525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.517525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.517525 (E_RNA)
where:
Base-Base interactions energy: -785.393
where: short stacking energy: -308.085
Base-Backbone interact. energy: -0.388
local terms energy: -363.523726
where:
bonds (distance) C4'-P energy: -65.724
bonds (distance) P-C4' energy: -72.536
flat angles C4'-P-C4' energy: -75.571
flat angles P-C4'-P energy: -50.551
tors. eta vs tors. theta energy: -99.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.787 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1071.645742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.645742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.645742 (E_RNA)
where:
Base-Base interactions energy: -735.278
where: short stacking energy: -312.309
Base-Backbone interact. energy: 3.087
local terms energy: -339.454496
where:
bonds (distance) C4'-P energy: -69.224
bonds (distance) P-C4' energy: -58.444
flat angles C4'-P-C4' energy: -71.573
flat angles P-C4'-P energy: -50.868
tors. eta vs tors. theta energy: -89.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1007.886880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.886880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.886880 (E_RNA)
where:
Base-Base interactions energy: -674.603
where: short stacking energy: -296.153
Base-Backbone interact. energy: -0.582
local terms energy: -332.702024
where:
bonds (distance) C4'-P energy: -64.913
bonds (distance) P-C4' energy: -64.013
flat angles C4'-P-C4' energy: -67.212
flat angles P-C4'-P energy: -52.494
tors. eta vs tors. theta energy: -84.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -914.626759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.626759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.626759 (E_RNA)
where:
Base-Base interactions energy: -602.663
where: short stacking energy: -257.216
Base-Backbone interact. energy: 0.532
local terms energy: -312.495457
where:
bonds (distance) C4'-P energy: -53.915
bonds (distance) P-C4' energy: -68.763
flat angles C4'-P-C4' energy: -67.751
flat angles P-C4'-P energy: -46.751
tors. eta vs tors. theta energy: -75.315
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: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -825.328737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.328737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.328737 (E_RNA)
where:
Base-Base interactions energy: -548.879
where: short stacking energy: -235.711
Base-Backbone interact. energy: -0.607
local terms energy: -275.842999
where:
bonds (distance) C4'-P energy: -59.952
bonds (distance) P-C4' energy: -59.306
flat angles C4'-P-C4' energy: -61.605
flat angles P-C4'-P energy: -32.542
tors. eta vs tors. theta energy: -62.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -702.809494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.809494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.809494 (E_RNA)
where:
Base-Base interactions energy: -454.262
where: short stacking energy: -224.656
Base-Backbone interact. energy: 0.624
local terms energy: -249.171917
where:
bonds (distance) C4'-P energy: -39.679
bonds (distance) P-C4' energy: -58.530
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -42.106
tors. eta vs tors. theta energy: -51.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -628.721686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.721686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.721686 (E_RNA)
where:
Base-Base interactions energy: -358.064
where: short stacking energy: -175.249
Base-Backbone interact. energy: -2.084
local terms energy: -268.573926
where:
bonds (distance) C4'-P energy: -63.382
bonds (distance) P-C4' energy: -61.619
flat angles C4'-P-C4' energy: -59.217
flat angles P-C4'-P energy: -34.761
tors. eta vs tors. theta energy: -49.595
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: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -452.969496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.969496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.969496 (E_RNA)
where:
Base-Base interactions energy: -237.560
where: short stacking energy: -129.039
Base-Backbone interact. energy: -0.650
local terms energy: -214.760140
where:
bonds (distance) C4'-P energy: -48.068
bonds (distance) P-C4' energy: -56.933
flat angles C4'-P-C4' energy: -50.527
flat angles P-C4'-P energy: -40.203
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: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -278.039445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.039445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.039445 (E_RNA)
where:
Base-Base interactions energy: -91.456
where: short stacking energy: -86.706
Base-Backbone interact. energy: -0.730
local terms energy: -185.853156
where:
bonds (distance) C4'-P energy: -61.065
bonds (distance) P-C4' energy: -45.849
flat angles C4'-P-C4' energy: -50.851
flat angles P-C4'-P energy: -40.061
tors. eta vs tors. theta energy: 11.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -284.059833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.059833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.059833 (E_RNA)
where:
Base-Base interactions energy: -105.670
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.748
local terms energy: -177.642489
where:
bonds (distance) C4'-P energy: -57.464
bonds (distance) P-C4' energy: -44.989
flat angles C4'-P-C4' energy: -52.558
flat angles P-C4'-P energy: -29.312
tors. eta vs tors. theta energy: 6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1154.203207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.203207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.203207 (E_RNA)
where:
Base-Base interactions energy: -789.771
where: short stacking energy: -309.303
Base-Backbone interact. energy: 0.681
local terms energy: -367.673437
where:
bonds (distance) C4'-P energy: -65.469
bonds (distance) P-C4' energy: -71.804
flat angles C4'-P-C4' energy: -79.603
flat angles P-C4'-P energy: -45.638
tors. eta vs tors. theta energy: -105.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.561 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1095.258856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.258856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.258856 (E_RNA)
where:
Base-Base interactions energy: -763.057
where: short stacking energy: -318.155
Base-Backbone interact. energy: -0.276
local terms energy: -331.925902
where:
bonds (distance) C4'-P energy: -67.436
bonds (distance) P-C4' energy: -63.951
flat angles C4'-P-C4' energy: -64.751
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -92.368
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: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -984.896250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.896250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.896250 (E_RNA)
where:
Base-Base interactions energy: -640.987
where: short stacking energy: -290.379
Base-Backbone interact. energy: -0.347
local terms energy: -343.561705
where:
bonds (distance) C4'-P energy: -58.995
bonds (distance) P-C4' energy: -69.735
flat angles C4'-P-C4' energy: -74.269
flat angles P-C4'-P energy: -55.852
tors. eta vs tors. theta energy: -84.711
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: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -915.349237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.349237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.349237 (E_RNA)
where:
Base-Base interactions energy: -587.144
where: short stacking energy: -259.444
Base-Backbone interact. energy: 3.169
local terms energy: -331.373921
where:
bonds (distance) C4'-P energy: -61.548
bonds (distance) P-C4' energy: -68.821
flat angles C4'-P-C4' energy: -77.389
flat angles P-C4'-P energy: -45.493
tors. eta vs tors. theta energy: -78.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -827.391944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.391944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.391944 (E_RNA)
where:
Base-Base interactions energy: -541.047
where: short stacking energy: -248.692
Base-Backbone interact. energy: -1.455
local terms energy: -284.889575
where:
bonds (distance) C4'-P energy: -53.717
bonds (distance) P-C4' energy: -60.581
flat angles C4'-P-C4' energy: -68.872
flat angles P-C4'-P energy: -39.491
tors. eta vs tors. theta energy: -62.228
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: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -679.305035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.305035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.305035 (E_RNA)
where:
Base-Base interactions energy: -420.553
where: short stacking energy: -195.508
Base-Backbone interact. energy: -1.356
local terms energy: -257.396843
where:
bonds (distance) C4'-P energy: -55.794
bonds (distance) P-C4' energy: -61.040
flat angles C4'-P-C4' energy: -65.519
flat angles P-C4'-P energy: -36.317
tors. eta vs tors. theta energy: -38.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -597.846879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.846879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.846879 (E_RNA)
where:
Base-Base interactions energy: -347.398
where: short stacking energy: -156.186
Base-Backbone interact. energy: -3.132
local terms energy: -247.317013
where:
bonds (distance) C4'-P energy: -61.349
bonds (distance) P-C4' energy: -66.308
flat angles C4'-P-C4' energy: -59.172
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: -28.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -437.874676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.874676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.874676 (E_RNA)
where:
Base-Base interactions energy: -229.127
where: short stacking energy: -129.934
Base-Backbone interact. energy: -0.550
local terms energy: -208.197815
where:
bonds (distance) C4'-P energy: -62.365
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -47.714
flat angles P-C4'-P energy: -28.574
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: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -293.933823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.933823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.933823 (E_RNA)
where:
Base-Base interactions energy: -96.051
where: short stacking energy: -61.991
Base-Backbone interact. energy: -2.780
local terms energy: -195.102448
where:
bonds (distance) C4'-P energy: -57.989
bonds (distance) P-C4' energy: -58.271
flat angles C4'-P-C4' energy: -54.433
flat angles P-C4'-P energy: -31.149
tors. eta vs tors. theta energy: 6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -277.788555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.788555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.788555 (E_RNA)
where:
Base-Base interactions energy: -100.866
where: short stacking energy: -77.298
Base-Backbone interact. energy: 0.262
local terms energy: -177.185154
where:
bonds (distance) C4'-P energy: -59.747
bonds (distance) P-C4' energy: -52.857
flat angles C4'-P-C4' energy: -46.640
flat angles P-C4'-P energy: -28.990
tors. eta vs tors. theta energy: 11.048
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: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1143.161490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.161490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.161490 (E_RNA)
where:
Base-Base interactions energy: -786.402
where: short stacking energy: -315.232
Base-Backbone interact. energy: -0.818
local terms energy: -355.941902
where:
bonds (distance) C4'-P energy: -63.932
bonds (distance) P-C4' energy: -66.144
flat angles C4'-P-C4' energy: -63.209
flat angles P-C4'-P energy: -57.458
tors. eta vs tors. theta energy: -105.198
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: 248
Temperature: 0.950000
Total energy: -1067.061037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.061037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.061037 (E_RNA)
where:
Base-Base interactions energy: -728.765
where: short stacking energy: -308.319
Base-Backbone interact. energy: -0.665
local terms energy: -337.631265
where:
bonds (distance) C4'-P energy: -54.496
bonds (distance) P-C4' energy: -61.366
flat angles C4'-P-C4' energy: -73.832
flat angles P-C4'-P energy: -54.596
tors. eta vs tors. theta energy: -93.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -998.155306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.155306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.155306 (E_RNA)
where:
Base-Base interactions energy: -668.215
where: short stacking energy: -293.770
Base-Backbone interact. energy: -0.259
local terms energy: -329.681941
where:
bonds (distance) C4'-P energy: -66.267
bonds (distance) P-C4' energy: -54.508
flat angles C4'-P-C4' energy: -76.172
flat angles P-C4'-P energy: -48.786
tors. eta vs tors. theta energy: -83.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -913.596708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.596708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.596708 (E_RNA)
where:
Base-Base interactions energy: -610.767
where: short stacking energy: -246.881
Base-Backbone interact. energy: 0.179
local terms energy: -303.008970
where:
bonds (distance) C4'-P energy: -53.759
bonds (distance) P-C4' energy: -67.208
flat angles C4'-P-C4' energy: -66.739
flat angles P-C4'-P energy: -46.586
tors. eta vs tors. theta energy: -68.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -820.407022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.407022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.407022 (E_RNA)
where:
Base-Base interactions energy: -545.313
where: short stacking energy: -232.004
Base-Backbone interact. energy: 2.030
local terms energy: -277.123846
where:
bonds (distance) C4'-P energy: -52.983
bonds (distance) P-C4' energy: -66.825
flat angles C4'-P-C4' energy: -59.305
flat angles P-C4'-P energy: -41.597
tors. eta vs tors. theta energy: -56.415
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: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -678.527593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.527593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.527593 (E_RNA)
where:
Base-Base interactions energy: -425.306
where: short stacking energy: -200.192
Base-Backbone interact. energy: 2.596
local terms energy: -255.817542
where:
bonds (distance) C4'-P energy: -51.056
bonds (distance) P-C4' energy: -61.851
flat angles C4'-P-C4' energy: -59.550
flat angles P-C4'-P energy: -41.954
tors. eta vs tors. theta energy: -41.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -606.397610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.397610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.397610 (E_RNA)
where:
Base-Base interactions energy: -373.414
where: short stacking energy: -174.680
Base-Backbone interact. energy: -0.122
local terms energy: -232.861398
where:
bonds (distance) C4'-P energy: -51.186
bonds (distance) P-C4' energy: -53.019
flat angles C4'-P-C4' energy: -59.796
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -25.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -411.225160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.225160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.225160 (E_RNA)
where:
Base-Base interactions energy: -217.391
where: short stacking energy: -117.504
Base-Backbone interact. energy: 0.506
local terms energy: -194.340279
where:
bonds (distance) C4'-P energy: -43.093
bonds (distance) P-C4' energy: -70.332
flat angles C4'-P-C4' energy: -50.161
flat angles P-C4'-P energy: -37.062
tors. eta vs tors. theta energy: 6.308
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: 248
Temperature: 1.300000
Total energy: -297.004205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.004205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.004205 (E_RNA)
where:
Base-Base interactions energy: -111.309
where: short stacking energy: -85.594
Base-Backbone interact. energy: -1.031
local terms energy: -184.663751
where:
bonds (distance) C4'-P energy: -54.167
bonds (distance) P-C4' energy: -58.475
flat angles C4'-P-C4' energy: -49.579
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: 13.456
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: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -264.656430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.656430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.656430 (E_RNA)
where:
Base-Base interactions energy: -77.457
where: short stacking energy: -48.103
Base-Backbone interact. energy: -0.114
local terms energy: -187.084774
where:
bonds (distance) C4'-P energy: -54.107
bonds (distance) P-C4' energy: -62.549
flat angles C4'-P-C4' energy: -49.547
flat angles P-C4'-P energy: -27.269
tors. eta vs tors. theta energy: 6.387
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: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1143.863667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.863667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.863667 (E_RNA)
where:
Base-Base interactions energy: -786.051
where: short stacking energy: -332.485
Base-Backbone interact. energy: 0.056
local terms energy: -357.868399
where:
bonds (distance) C4'-P energy: -60.183
bonds (distance) P-C4' energy: -67.434
flat angles C4'-P-C4' energy: -78.576
flat angles P-C4'-P energy: -40.858
tors. eta vs tors. theta energy: -110.818
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: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1055.037544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.037544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.037544 (E_RNA)
where:
Base-Base interactions energy: -693.661
where: short stacking energy: -317.643
Base-Backbone interact. energy: 2.175
local terms energy: -363.551566
where:
bonds (distance) C4'-P energy: -61.833
bonds (distance) P-C4' energy: -65.595
flat angles C4'-P-C4' energy: -77.377
flat angles P-C4'-P energy: -63.663
tors. eta vs tors. theta energy: -95.083
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: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1012.532652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.532652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.532652 (E_RNA)
where:
Base-Base interactions energy: -682.708
where: short stacking energy: -278.922
Base-Backbone interact. energy: -0.250
local terms energy: -329.575073
where:
bonds (distance) C4'-P energy: -58.413
bonds (distance) P-C4' energy: -68.951
flat angles C4'-P-C4' energy: -68.958
flat angles P-C4'-P energy: -41.484
tors. eta vs tors. theta energy: -91.770
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: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -947.112056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.112056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.112056 (E_RNA)
where:
Base-Base interactions energy: -647.241
where: short stacking energy: -281.840
Base-Backbone interact. energy: 5.980
local terms energy: -305.851554
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -61.838
flat angles C4'-P-C4' energy: -66.099
flat angles P-C4'-P energy: -42.674
tors. eta vs tors. theta energy: -80.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -809.996073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.996073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.996073 (E_RNA)
where:
Base-Base interactions energy: -539.455
where: short stacking energy: -218.496
Base-Backbone interact. energy: 2.065
local terms energy: -273.898528
where:
bonds (distance) C4'-P energy: -66.001
bonds (distance) P-C4' energy: -49.781
flat angles C4'-P-C4' energy: -62.170
flat angles P-C4'-P energy: -42.742
tors. eta vs tors. theta energy: -53.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.293 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -647.448343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.448343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.448343 (E_RNA)
where:
Base-Base interactions energy: -385.524
where: short stacking energy: -203.143
Base-Backbone interact. energy: -1.044
local terms energy: -260.880481
where:
bonds (distance) C4'-P energy: -56.284
bonds (distance) P-C4' energy: -72.463
flat angles C4'-P-C4' energy: -57.358
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: -45.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -596.810461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.810461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.810461 (E_RNA)
where:
Base-Base interactions energy: -343.251
where: short stacking energy: -166.795
Base-Backbone interact. energy: -0.472
local terms energy: -253.087426
where:
bonds (distance) C4'-P energy: -67.616
bonds (distance) P-C4' energy: -64.266
flat angles C4'-P-C4' energy: -63.407
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -32.602
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: 249
Temperature: 1.250000
Total energy: -399.873649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.873649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.873649 (E_RNA)
where:
Base-Base interactions energy: -186.033
where: short stacking energy: -101.851
Base-Backbone interact. energy: 1.231
local terms energy: -215.072285
where:
bonds (distance) C4'-P energy: -57.809
bonds (distance) P-C4' energy: -66.520
flat angles C4'-P-C4' energy: -54.359
flat angles P-C4'-P energy: -30.984
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -299.953351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.953351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.953351 (E_RNA)
where:
Base-Base interactions energy: -132.744
where: short stacking energy: -78.109
Base-Backbone interact. energy: 3.203
local terms energy: -170.413057
where:
bonds (distance) C4'-P energy: -45.430
bonds (distance) P-C4' energy: -50.270
flat angles C4'-P-C4' energy: -50.576
flat angles P-C4'-P energy: -30.889
tors. eta vs tors. theta energy: 6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -274.772496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.772496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.772496 (E_RNA)
where:
Base-Base interactions energy: -98.109
where: short stacking energy: -63.097
Base-Backbone interact. energy: 9.834
local terms energy: -186.496705
where:
bonds (distance) C4'-P energy: -59.435
bonds (distance) P-C4' energy: -74.756
flat angles C4'-P-C4' energy: -44.765
flat angles P-C4'-P energy: -31.624
tors. eta vs tors. theta energy: 24.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1161.255966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.255966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.255966 (E_RNA)
where:
Base-Base interactions energy: -800.780
where: short stacking energy: -335.047
Base-Backbone interact. energy: -1.711
local terms energy: -358.765784
where:
bonds (distance) C4'-P energy: -64.343
bonds (distance) P-C4' energy: -68.392
flat angles C4'-P-C4' energy: -64.152
flat angles P-C4'-P energy: -50.426
tors. eta vs tors. theta energy: -111.452
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: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1076.742112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.742112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.742112 (E_RNA)
where:
Base-Base interactions energy: -716.943
where: short stacking energy: -321.799
Base-Backbone interact. energy: 5.681
local terms energy: -365.480000
where:
bonds (distance) C4'-P energy: -63.614
bonds (distance) P-C4' energy: -70.620
flat angles C4'-P-C4' energy: -72.223
flat angles P-C4'-P energy: -54.985
tors. eta vs tors. theta energy: -104.038
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: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -971.316895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.316895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.316895 (E_RNA)
where:
Base-Base interactions energy: -658.862
where: short stacking energy: -270.069
Base-Backbone interact. energy: 0.683
local terms energy: -313.138177
where:
bonds (distance) C4'-P energy: -54.167
bonds (distance) P-C4' energy: -51.902
flat angles C4'-P-C4' energy: -70.223
flat angles P-C4'-P energy: -55.009
tors. eta vs tors. theta energy: -81.838
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: 250
Temperature: 1.050000
Total energy: -929.581326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.581326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.581326 (E_RNA)
where:
Base-Base interactions energy: -624.854
where: short stacking energy: -270.019
Base-Backbone interact. energy: 1.291
local terms energy: -306.018630
where:
bonds (distance) C4'-P energy: -62.068
bonds (distance) P-C4' energy: -68.544
flat angles C4'-P-C4' energy: -55.647
flat angles P-C4'-P energy: -39.308
tors. eta vs tors. theta energy: -80.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -768.978383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.978383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.978383 (E_RNA)
where:
Base-Base interactions energy: -495.164
where: short stacking energy: -223.260
Base-Backbone interact. energy: 0.252
local terms energy: -274.066327
where:
bonds (distance) C4'-P energy: -62.399
bonds (distance) P-C4' energy: -61.107
flat angles C4'-P-C4' energy: -60.317
flat angles P-C4'-P energy: -25.379
tors. eta vs tors. theta energy: -64.865
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: 250
Temperature: 1.150000
Total energy: -620.473019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.473019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.473019 (E_RNA)
where:
Base-Base interactions energy: -358.312
where: short stacking energy: -173.721
Base-Backbone interact. energy: -0.684
local terms energy: -261.847838
where:
bonds (distance) C4'-P energy: -56.477
bonds (distance) P-C4' energy: -70.683
flat angles C4'-P-C4' energy: -60.292
flat angles P-C4'-P energy: -33.087
tors. eta vs tors. theta energy: -41.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.370 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -609.590296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.590296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.590296 (E_RNA)
where:
Base-Base interactions energy: -366.516
where: short stacking energy: -188.559
Base-Backbone interact. energy: 0.944
local terms energy: -244.018677
where:
bonds (distance) C4'-P energy: -55.567
bonds (distance) P-C4' energy: -56.660
flat angles C4'-P-C4' energy: -60.539
flat angles P-C4'-P energy: -41.835
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: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -382.655930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.655930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.655930 (E_RNA)
where:
Base-Base interactions energy: -190.104
where: short stacking energy: -107.505
Base-Backbone interact. energy: -2.060
local terms energy: -190.620103
where:
bonds (distance) C4'-P energy: -45.398
bonds (distance) P-C4' energy: -52.565
flat angles C4'-P-C4' energy: -51.052
flat angles P-C4'-P energy: -37.389
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.128 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -305.352811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.352811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.352811 (E_RNA)
where:
Base-Base interactions energy: -92.755
where: short stacking energy: -88.424
Base-Backbone interact. energy: -2.329
local terms energy: -210.268491
where:
bonds (distance) C4'-P energy: -62.636
bonds (distance) P-C4' energy: -62.620
flat angles C4'-P-C4' energy: -48.741
flat angles P-C4'-P energy: -32.262
tors. eta vs tors. theta energy: -4.009
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: 250
Temperature: 1.350000
Total energy: -275.419972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.419972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.419972 (E_RNA)
where:
Base-Base interactions energy: -106.825
where: short stacking energy: -77.431
Base-Backbone interact. energy: -1.317
local terms energy: -167.277836
where:
bonds (distance) C4'-P energy: -43.550
bonds (distance) P-C4' energy: -48.743
flat angles C4'-P-C4' energy: -51.426
flat angles P-C4'-P energy: -29.456
tors. eta vs tors. theta energy: 5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1164.789109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.789109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.789109 (E_RNA)
where:
Base-Base interactions energy: -792.235
where: short stacking energy: -343.790
Base-Backbone interact. energy: -1.310
local terms energy: -371.244060
where:
bonds (distance) C4'-P energy: -64.399
bonds (distance) P-C4' energy: -66.705
flat angles C4'-P-C4' energy: -82.213
flat angles P-C4'-P energy: -51.940
tors. eta vs tors. theta energy: -105.987
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: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1100.050900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.050900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.050900 (E_RNA)
where:
Base-Base interactions energy: -738.811
where: short stacking energy: -314.436
Base-Backbone interact. energy: 0.710
local terms energy: -361.950285
where:
bonds (distance) C4'-P energy: -62.814
bonds (distance) P-C4' energy: -68.391
flat angles C4'-P-C4' energy: -80.639
flat angles P-C4'-P energy: -52.348
tors. eta vs tors. theta energy: -97.758
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: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -992.056790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.056790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.056790 (E_RNA)
where:
Base-Base interactions energy: -656.319
where: short stacking energy: -252.303
Base-Backbone interact. energy: -1.619
local terms energy: -334.118762
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -67.807
flat angles C4'-P-C4' energy: -69.809
flat angles P-C4'-P energy: -51.686
tors. eta vs tors. theta energy: -83.719
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: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -921.034905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.034905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.034905 (E_RNA)
where:
Base-Base interactions energy: -615.933
where: short stacking energy: -262.244
Base-Backbone interact. energy: 3.817
local terms energy: -308.918384
where:
bonds (distance) C4'-P energy: -68.679
bonds (distance) P-C4' energy: -56.170
flat angles C4'-P-C4' energy: -65.787
flat angles P-C4'-P energy: -42.340
tors. eta vs tors. theta energy: -75.943
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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -801.956643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.956643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.956643 (E_RNA)
where:
Base-Base interactions energy: -537.822
where: short stacking energy: -226.529
Base-Backbone interact. energy: -1.003
local terms energy: -263.131725
where:
bonds (distance) C4'-P energy: -59.189
bonds (distance) P-C4' energy: -55.486
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -38.938
tors. eta vs tors. theta energy: -52.010
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: 251
Temperature: 1.150000
Total energy: -597.314032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.314032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.314032 (E_RNA)
where:
Base-Base interactions energy: -357.123
where: short stacking energy: -170.615
Base-Backbone interact. energy: -0.334
local terms energy: -239.857129
where:
bonds (distance) C4'-P energy: -52.232
bonds (distance) P-C4' energy: -58.518
flat angles C4'-P-C4' energy: -61.225
flat angles P-C4'-P energy: -34.140
tors. eta vs tors. theta energy: -33.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -642.362266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.362266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.362266 (E_RNA)
where:
Base-Base interactions energy: -386.460
where: short stacking energy: -178.856
Base-Backbone interact. energy: -2.522
local terms energy: -253.380624
where:
bonds (distance) C4'-P energy: -51.370
bonds (distance) P-C4' energy: -60.490
flat angles C4'-P-C4' energy: -59.536
flat angles P-C4'-P energy: -34.012
tors. eta vs tors. theta energy: -47.973
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: 251
Temperature: 1.250000
Total energy: -405.282110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.282110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.282110 (E_RNA)
where:
Base-Base interactions energy: -196.461
where: short stacking energy: -124.518
Base-Backbone interact. energy: -1.509
local terms energy: -207.312286
where:
bonds (distance) C4'-P energy: -47.753
bonds (distance) P-C4' energy: -58.061
flat angles C4'-P-C4' energy: -47.610
flat angles P-C4'-P energy: -28.547
tors. eta vs tors. theta energy: -25.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -320.726388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.726388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.726388 (E_RNA)
where:
Base-Base interactions energy: -142.810
where: short stacking energy: -90.575
Base-Backbone interact. energy: -1.837
local terms energy: -176.078659
where:
bonds (distance) C4'-P energy: -55.582
bonds (distance) P-C4' energy: -54.652
flat angles C4'-P-C4' energy: -45.994
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: 7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -263.144663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.144663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.144663 (E_RNA)
where:
Base-Base interactions energy: -100.814
where: short stacking energy: -75.494
Base-Backbone interact. energy: 0.098
local terms energy: -162.428035
where:
bonds (distance) C4'-P energy: -47.215
bonds (distance) P-C4' energy: -60.134
flat angles C4'-P-C4' energy: -49.824
flat angles P-C4'-P energy: -17.525
tors. eta vs tors. theta energy: 12.269
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: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1110.773544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.773544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.773544 (E_RNA)
where:
Base-Base interactions energy: -749.994
where: short stacking energy: -317.962
Base-Backbone interact. energy: 4.428
local terms energy: -365.207183
where:
bonds (distance) C4'-P energy: -64.533
bonds (distance) P-C4' energy: -67.676
flat angles C4'-P-C4' energy: -72.326
flat angles P-C4'-P energy: -56.354
tors. eta vs tors. theta energy: -104.317
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: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1126.157674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.157674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.157674 (E_RNA)
where:
Base-Base interactions energy: -779.773
where: short stacking energy: -318.964
Base-Backbone interact. energy: -0.982
local terms energy: -345.649505
where:
bonds (distance) C4'-P energy: -60.231
bonds (distance) P-C4' energy: -69.302
flat angles C4'-P-C4' energy: -73.149
flat angles P-C4'-P energy: -48.843
tors. eta vs tors. theta energy: -94.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.247 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -990.181537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.181537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.181537 (E_RNA)
where:
Base-Base interactions energy: -666.001
where: short stacking energy: -268.298
Base-Backbone interact. energy: -1.024
local terms energy: -323.156673
where:
bonds (distance) C4'-P energy: -69.050
bonds (distance) P-C4' energy: -61.098
flat angles C4'-P-C4' energy: -63.631
flat angles P-C4'-P energy: -49.047
tors. eta vs tors. theta energy: -80.332
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: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -870.005119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.005119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.005119 (E_RNA)
where:
Base-Base interactions energy: -561.000
where: short stacking energy: -249.697
Base-Backbone interact. energy: -1.070
local terms energy: -307.935124
where:
bonds (distance) C4'-P energy: -59.277
bonds (distance) P-C4' energy: -59.442
flat angles C4'-P-C4' energy: -65.001
flat angles P-C4'-P energy: -57.690
tors. eta vs tors. theta energy: -66.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -832.723565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.723565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.723565 (E_RNA)
where:
Base-Base interactions energy: -548.187
where: short stacking energy: -234.356
Base-Backbone interact. energy: 1.363
local terms energy: -285.899326
where:
bonds (distance) C4'-P energy: -59.495
bonds (distance) P-C4' energy: -68.894
flat angles C4'-P-C4' energy: -58.194
flat angles P-C4'-P energy: -39.468
tors. eta vs tors. theta energy: -59.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -625.859875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.859875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.859875 (E_RNA)
where:
Base-Base interactions energy: -377.483
where: short stacking energy: -175.803
Base-Backbone interact. energy: 0.511
local terms energy: -248.888452
where:
bonds (distance) C4'-P energy: -65.543
bonds (distance) P-C4' energy: -63.572
flat angles C4'-P-C4' energy: -58.284
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -30.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -654.340954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.340954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.340954 (E_RNA)
where:
Base-Base interactions energy: -407.367
where: short stacking energy: -167.197
Base-Backbone interact. energy: 0.234
local terms energy: -247.208249
where:
bonds (distance) C4'-P energy: -48.322
bonds (distance) P-C4' energy: -64.052
flat angles C4'-P-C4' energy: -51.500
flat angles P-C4'-P energy: -41.186
tors. eta vs tors. theta energy: -42.148
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: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -438.853997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.853997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.853997 (E_RNA)
where:
Base-Base interactions energy: -220.481
where: short stacking energy: -127.221
Base-Backbone interact. energy: -1.198
local terms energy: -217.175488
where:
bonds (distance) C4'-P energy: -46.418
bonds (distance) P-C4' energy: -59.823
flat angles C4'-P-C4' energy: -59.272
flat angles P-C4'-P energy: -30.263
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -283.192946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.192946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.192946 (E_RNA)
where:
Base-Base interactions energy: -103.129
where: short stacking energy: -88.679
Base-Backbone interact. energy: -2.499
local terms energy: -177.564732
where:
bonds (distance) C4'-P energy: -60.822
bonds (distance) P-C4' energy: -51.886
flat angles C4'-P-C4' energy: -38.057
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: 2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -287.963918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.963918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.963918 (E_RNA)
where:
Base-Base interactions energy: -89.114
where: short stacking energy: -68.991
Base-Backbone interact. energy: -1.959
local terms energy: -196.891007
where:
bonds (distance) C4'-P energy: -67.912
bonds (distance) P-C4' energy: -56.976
flat angles C4'-P-C4' energy: -41.694
flat angles P-C4'-P energy: -34.734
tors. eta vs tors. theta energy: 4.425
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: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1118.317379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.317379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.317379 (E_RNA)
where:
Base-Base interactions energy: -750.204
where: short stacking energy: -311.066
Base-Backbone interact. energy: 1.434
local terms energy: -369.547651
where:
bonds (distance) C4'-P energy: -64.179
bonds (distance) P-C4' energy: -75.388
flat angles C4'-P-C4' energy: -76.432
flat angles P-C4'-P energy: -51.918
tors. eta vs tors. theta energy: -101.630
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: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1117.020767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.020767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.020767 (E_RNA)
where:
Base-Base interactions energy: -745.392
where: short stacking energy: -307.897
Base-Backbone interact. energy: 0.940
local terms energy: -372.780456
where:
bonds (distance) C4'-P energy: -63.920
bonds (distance) P-C4' energy: -63.426
flat angles C4'-P-C4' energy: -80.213
flat angles P-C4'-P energy: -53.678
tors. eta vs tors. theta energy: -111.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.211 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -967.787549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.787549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.787549 (E_RNA)
where:
Base-Base interactions energy: -655.265
where: short stacking energy: -259.549
Base-Backbone interact. energy: -2.971
local terms energy: -309.551493
where:
bonds (distance) C4'-P energy: -64.488
bonds (distance) P-C4' energy: -69.470
flat angles C4'-P-C4' energy: -69.859
flat angles P-C4'-P energy: -36.525
tors. eta vs tors. theta energy: -69.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -932.674149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.674149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.674149 (E_RNA)
where:
Base-Base interactions energy: -624.308
where: short stacking energy: -258.096
Base-Backbone interact. energy: -1.277
local terms energy: -307.088767
where:
bonds (distance) C4'-P energy: -65.106
bonds (distance) P-C4' energy: -56.920
flat angles C4'-P-C4' energy: -70.610
flat angles P-C4'-P energy: -38.792
tors. eta vs tors. theta energy: -75.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -812.565610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.565610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.565610 (E_RNA)
where:
Base-Base interactions energy: -528.779
where: short stacking energy: -227.333
Base-Backbone interact. energy: -1.752
local terms energy: -282.034750
where:
bonds (distance) C4'-P energy: -59.651
bonds (distance) P-C4' energy: -61.230
flat angles C4'-P-C4' energy: -64.249
flat angles P-C4'-P energy: -43.148
tors. eta vs tors. theta energy: -53.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -677.164713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.164713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.164713 (E_RNA)
where:
Base-Base interactions energy: -413.876
where: short stacking energy: -210.858
Base-Backbone interact. energy: 1.074
local terms energy: -264.362467
where:
bonds (distance) C4'-P energy: -61.254
bonds (distance) P-C4' energy: -63.963
flat angles C4'-P-C4' energy: -55.990
flat angles P-C4'-P energy: -34.581
tors. eta vs tors. theta energy: -48.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -574.884133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.884133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.884133 (E_RNA)
where:
Base-Base interactions energy: -345.469
where: short stacking energy: -154.179
Base-Backbone interact. energy: 1.630
local terms energy: -232.307729
where:
bonds (distance) C4'-P energy: -52.720
bonds (distance) P-C4' energy: -78.931
flat angles C4'-P-C4' energy: -61.041
flat angles P-C4'-P energy: -25.180
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.263 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -436.761674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.761674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.761674 (E_RNA)
where:
Base-Base interactions energy: -226.421
where: short stacking energy: -136.822
Base-Backbone interact. energy: 4.159
local terms energy: -214.499646
where:
bonds (distance) C4'-P energy: -57.864
bonds (distance) P-C4' energy: -56.339
flat angles C4'-P-C4' energy: -46.182
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -321.590317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.590317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.590317 (E_RNA)
where:
Base-Base interactions energy: -123.003
where: short stacking energy: -69.673
Base-Backbone interact. energy: -0.292
local terms energy: -198.294784
where:
bonds (distance) C4'-P energy: -53.660
bonds (distance) P-C4' energy: -68.434
flat angles C4'-P-C4' energy: -48.133
flat angles P-C4'-P energy: -36.564
tors. eta vs tors. theta energy: 8.495
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: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -278.574142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.574142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.574142 (E_RNA)
where:
Base-Base interactions energy: -108.136
where: short stacking energy: -80.247
Base-Backbone interact. energy: 1.872
local terms energy: -172.310145
where:
bonds (distance) C4'-P energy: -46.830
bonds (distance) P-C4' energy: -60.145
flat angles C4'-P-C4' energy: -55.528
flat angles P-C4'-P energy: -28.377
tors. eta vs tors. theta energy: 18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1130.489065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.489065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.489065 (E_RNA)
where:
Base-Base interactions energy: -786.538
where: short stacking energy: -320.912
Base-Backbone interact. energy: 2.374
local terms energy: -346.776308
where:
bonds (distance) C4'-P energy: -59.871
bonds (distance) P-C4' energy: -68.722
flat angles C4'-P-C4' energy: -68.585
flat angles P-C4'-P energy: -53.862
tors. eta vs tors. theta energy: -95.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.451 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1082.887906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.887906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.887906 (E_RNA)
where:
Base-Base interactions energy: -731.452
where: short stacking energy: -321.066
Base-Backbone interact. energy: -1.221
local terms energy: -350.214652
where:
bonds (distance) C4'-P energy: -53.500
bonds (distance) P-C4' energy: -65.931
flat angles C4'-P-C4' energy: -69.774
flat angles P-C4'-P energy: -59.145
tors. eta vs tors. theta energy: -101.866
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: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -983.856361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.856361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.856361 (E_RNA)
where:
Base-Base interactions energy: -666.821
where: short stacking energy: -280.205
Base-Backbone interact. energy: 3.530
local terms energy: -320.565090
where:
bonds (distance) C4'-P energy: -57.275
bonds (distance) P-C4' energy: -61.643
flat angles C4'-P-C4' energy: -74.570
flat angles P-C4'-P energy: -44.409
tors. eta vs tors. theta energy: -82.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -942.791675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.791675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.791675 (E_RNA)
where:
Base-Base interactions energy: -602.110
where: short stacking energy: -281.731
Base-Backbone interact. energy: 1.512
local terms energy: -342.193433
where:
bonds (distance) C4'-P energy: -68.652
bonds (distance) P-C4' energy: -70.634
flat angles C4'-P-C4' energy: -73.450
flat angles P-C4'-P energy: -51.988
tors. eta vs tors. theta energy: -77.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -756.537554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.537554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.537554 (E_RNA)
where:
Base-Base interactions energy: -475.595
where: short stacking energy: -220.933
Base-Backbone interact. energy: -1.024
local terms energy: -279.917805
where:
bonds (distance) C4'-P energy: -55.198
bonds (distance) P-C4' energy: -69.819
flat angles C4'-P-C4' energy: -64.550
flat angles P-C4'-P energy: -38.389
tors. eta vs tors. theta energy: -51.961
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: 254
Temperature: 1.150000
Total energy: -704.017522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.017522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.017522 (E_RNA)
where:
Base-Base interactions energy: -454.858
where: short stacking energy: -212.306
Base-Backbone interact. energy: -2.236
local terms energy: -246.923692
where:
bonds (distance) C4'-P energy: -46.396
bonds (distance) P-C4' energy: -50.896
flat angles C4'-P-C4' energy: -57.830
flat angles P-C4'-P energy: -43.734
tors. eta vs tors. theta energy: -48.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -569.958483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.958483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.958483 (E_RNA)
where:
Base-Base interactions energy: -328.058
where: short stacking energy: -174.403
Base-Backbone interact. energy: -0.719
local terms energy: -241.180941
where:
bonds (distance) C4'-P energy: -56.427
bonds (distance) P-C4' energy: -58.708
flat angles C4'-P-C4' energy: -57.909
flat angles P-C4'-P energy: -36.565
tors. eta vs tors. theta energy: -31.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -416.372141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.372141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.372141 (E_RNA)
where:
Base-Base interactions energy: -229.539
where: short stacking energy: -117.424
Base-Backbone interact. energy: 1.677
local terms energy: -188.509557
where:
bonds (distance) C4'-P energy: -53.617
bonds (distance) P-C4' energy: -48.996
flat angles C4'-P-C4' energy: -44.469
flat angles P-C4'-P energy: -31.683
tors. eta vs tors. theta energy: -9.745
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: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -286.674924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.674924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.674924 (E_RNA)
where:
Base-Base interactions energy: -85.775
where: short stacking energy: -79.743
Base-Backbone interact. energy: 0.281
local terms energy: -201.181190
where:
bonds (distance) C4'-P energy: -63.855
bonds (distance) P-C4' energy: -62.574
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -329.212785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.212785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.212785 (E_RNA)
where:
Base-Base interactions energy: -150.421
where: short stacking energy: -87.322
Base-Backbone interact. energy: -1.543
local terms energy: -177.248735
where:
bonds (distance) C4'-P energy: -41.911
bonds (distance) P-C4' energy: -62.474
flat angles C4'-P-C4' energy: -50.186
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: 2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1157.223987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.223987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.223987 (E_RNA)
where:
Base-Base interactions energy: -797.799
where: short stacking energy: -331.149
Base-Backbone interact. energy: -1.136
local terms energy: -358.809507
where:
bonds (distance) C4'-P energy: -57.347
bonds (distance) P-C4' energy: -74.011
flat angles C4'-P-C4' energy: -72.522
flat angles P-C4'-P energy: -52.101
tors. eta vs tors. theta energy: -102.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.520 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1072.928435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.928435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.928435 (E_RNA)
where:
Base-Base interactions energy: -709.396
where: short stacking energy: -322.895
Base-Backbone interact. energy: 2.616
local terms energy: -366.148839
where:
bonds (distance) C4'-P energy: -68.323
bonds (distance) P-C4' energy: -73.919
flat angles C4'-P-C4' energy: -74.534
flat angles P-C4'-P energy: -48.518
tors. eta vs tors. theta energy: -100.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -995.264223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.264223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.264223 (E_RNA)
where:
Base-Base interactions energy: -677.880
where: short stacking energy: -285.089
Base-Backbone interact. energy: -1.354
local terms energy: -316.030122
where:
bonds (distance) C4'-P energy: -63.245
bonds (distance) P-C4' energy: -57.498
flat angles C4'-P-C4' energy: -64.728
flat angles P-C4'-P energy: -54.625
tors. eta vs tors. theta energy: -75.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -926.662269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.662269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.662269 (E_RNA)
where:
Base-Base interactions energy: -601.909
where: short stacking energy: -257.579
Base-Backbone interact. energy: -1.177
local terms energy: -323.575868
where:
bonds (distance) C4'-P energy: -65.786
bonds (distance) P-C4' energy: -64.501
flat angles C4'-P-C4' energy: -61.541
flat angles P-C4'-P energy: -45.290
tors. eta vs tors. theta energy: -86.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -777.493895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.493895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.493895 (E_RNA)
where:
Base-Base interactions energy: -489.263
where: short stacking energy: -230.949
Base-Backbone interact. energy: -0.620
local terms energy: -287.610176
where:
bonds (distance) C4'-P energy: -59.108
bonds (distance) P-C4' energy: -67.907
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -37.123
tors. eta vs tors. theta energy: -60.196
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: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -751.546122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.546122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.546122 (E_RNA)
where:
Base-Base interactions energy: -472.888
where: short stacking energy: -207.127
Base-Backbone interact. energy: -3.033
local terms energy: -275.624541
where:
bonds (distance) C4'-P energy: -64.207
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -65.566
flat angles P-C4'-P energy: -41.818
tors. eta vs tors. theta energy: -47.182
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: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -581.569834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.569834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.569834 (E_RNA)
where:
Base-Base interactions energy: -331.563
where: short stacking energy: -161.343
Base-Backbone interact. energy: -2.332
local terms energy: -247.674934
where:
bonds (distance) C4'-P energy: -55.528
bonds (distance) P-C4' energy: -72.074
flat angles C4'-P-C4' energy: -54.290
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: -34.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -398.917834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.917834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.917834 (E_RNA)
where:
Base-Base interactions energy: -171.722
where: short stacking energy: -112.533
Base-Backbone interact. energy: -1.075
local terms energy: -226.120118
where:
bonds (distance) C4'-P energy: -54.461
bonds (distance) P-C4' energy: -73.686
flat angles C4'-P-C4' energy: -50.887
flat angles P-C4'-P energy: -29.884
tors. eta vs tors. theta energy: -17.202
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: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -296.623843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.623843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.623843 (E_RNA)
where:
Base-Base interactions energy: -104.242
where: short stacking energy: -65.258
Base-Backbone interact. energy: -1.083
local terms energy: -191.425936
where:
bonds (distance) C4'-P energy: -65.104
bonds (distance) P-C4' energy: -51.996
flat angles C4'-P-C4' energy: -45.806
flat angles P-C4'-P energy: -37.902
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: 0.128 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -318.764706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.764706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.764706 (E_RNA)
where:
Base-Base interactions energy: -127.199
where: short stacking energy: -66.807
Base-Backbone interact. energy: 0.776
local terms energy: -192.341911
where:
bonds (distance) C4'-P energy: -59.612
bonds (distance) P-C4' energy: -63.042
flat angles C4'-P-C4' energy: -52.198
flat angles P-C4'-P energy: -24.416
tors. eta vs tors. theta energy: 6.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1150.428466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.428466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.428466 (E_RNA)
where:
Base-Base interactions energy: -798.532
where: short stacking energy: -332.030
Base-Backbone interact. energy: -1.556
local terms energy: -350.937152
where:
bonds (distance) C4'-P energy: -61.499
bonds (distance) P-C4' energy: -59.861
flat angles C4'-P-C4' energy: -77.927
flat angles P-C4'-P energy: -49.347
tors. eta vs tors. theta energy: -102.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.596 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1090.126897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.126897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.126897 (E_RNA)
where:
Base-Base interactions energy: -732.236
where: short stacking energy: -312.886
Base-Backbone interact. energy: -0.471
local terms energy: -357.419900
where:
bonds (distance) C4'-P energy: -68.962
bonds (distance) P-C4' energy: -72.410
flat angles C4'-P-C4' energy: -71.039
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -98.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -981.554485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.554485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.554485 (E_RNA)
where:
Base-Base interactions energy: -664.591
where: short stacking energy: -261.023
Base-Backbone interact. energy: 0.758
local terms energy: -317.721528
where:
bonds (distance) C4'-P energy: -63.179
bonds (distance) P-C4' energy: -59.466
flat angles C4'-P-C4' energy: -69.734
flat angles P-C4'-P energy: -51.008
tors. eta vs tors. theta energy: -74.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -923.736713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.736713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.736713 (E_RNA)
where:
Base-Base interactions energy: -590.566
where: short stacking energy: -259.214
Base-Backbone interact. energy: -0.534
local terms energy: -332.636552
where:
bonds (distance) C4'-P energy: -62.389
bonds (distance) P-C4' energy: -67.719
flat angles C4'-P-C4' energy: -72.111
flat angles P-C4'-P energy: -47.685
tors. eta vs tors. theta energy: -82.733
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: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -794.801074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.801074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.801074 (E_RNA)
where:
Base-Base interactions energy: -506.728
where: short stacking energy: -243.377
Base-Backbone interact. energy: -1.465
local terms energy: -286.608283
where:
bonds (distance) C4'-P energy: -58.795
bonds (distance) P-C4' energy: -54.967
flat angles C4'-P-C4' energy: -57.917
flat angles P-C4'-P energy: -52.356
tors. eta vs tors. theta energy: -62.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -784.230976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.230976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.230976 (E_RNA)
where:
Base-Base interactions energy: -502.660
where: short stacking energy: -223.425
Base-Backbone interact. energy: -1.668
local terms energy: -279.903320
where:
bonds (distance) C4'-P energy: -63.076
bonds (distance) P-C4' energy: -70.001
flat angles C4'-P-C4' energy: -51.447
flat angles P-C4'-P energy: -38.027
tors. eta vs tors. theta energy: -57.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -580.377868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.377868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.377868 (E_RNA)
where:
Base-Base interactions energy: -346.513
where: short stacking energy: -177.170
Base-Backbone interact. energy: -0.653
local terms energy: -233.211722
where:
bonds (distance) C4'-P energy: -49.822
bonds (distance) P-C4' energy: -62.911
flat angles C4'-P-C4' energy: -50.679
flat angles P-C4'-P energy: -31.385
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: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -403.216991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.216991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.216991 (E_RNA)
where:
Base-Base interactions energy: -192.908
where: short stacking energy: -111.354
Base-Backbone interact. energy: -1.592
local terms energy: -208.717399
where:
bonds (distance) C4'-P energy: -68.296
bonds (distance) P-C4' energy: -56.878
flat angles C4'-P-C4' energy: -60.088
flat angles P-C4'-P energy: -36.304
tors. eta vs tors. theta energy: 12.848
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: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -293.436312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.436312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.436312 (E_RNA)
where:
Base-Base interactions energy: -120.149
where: short stacking energy: -106.446
Base-Backbone interact. energy: 8.865
local terms energy: -182.152071
where:
bonds (distance) C4'-P energy: -50.713
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -39.746
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -5.636
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: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -286.667063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.667063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.667063 (E_RNA)
where:
Base-Base interactions energy: -104.256
where: short stacking energy: -78.219
Base-Backbone interact. energy: -1.345
local terms energy: -181.179150
where:
bonds (distance) C4'-P energy: -66.911
bonds (distance) P-C4' energy: -58.551
flat angles C4'-P-C4' energy: -40.949
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: 6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.113 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1144.483446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.483446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.483446 (E_RNA)
where:
Base-Base interactions energy: -798.298
where: short stacking energy: -332.683
Base-Backbone interact. energy: -1.783
local terms energy: -344.402684
where:
bonds (distance) C4'-P energy: -65.447
bonds (distance) P-C4' energy: -67.160
flat angles C4'-P-C4' energy: -71.238
flat angles P-C4'-P energy: -39.212
tors. eta vs tors. theta energy: -101.347
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: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1096.573497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.573497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.573497 (E_RNA)
where:
Base-Base interactions energy: -739.640
where: short stacking energy: -315.466
Base-Backbone interact. energy: -0.745
local terms energy: -356.188339
where:
bonds (distance) C4'-P energy: -50.337
bonds (distance) P-C4' energy: -76.583
flat angles C4'-P-C4' energy: -78.455
flat angles P-C4'-P energy: -49.495
tors. eta vs tors. theta energy: -101.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -976.212857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.212857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.212857 (E_RNA)
where:
Base-Base interactions energy: -637.349
where: short stacking energy: -263.933
Base-Backbone interact. energy: -0.137
local terms energy: -338.727696
where:
bonds (distance) C4'-P energy: -63.791
bonds (distance) P-C4' energy: -69.835
flat angles C4'-P-C4' energy: -77.856
flat angles P-C4'-P energy: -51.109
tors. eta vs tors. theta energy: -76.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -923.985873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.985873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.985873 (E_RNA)
where:
Base-Base interactions energy: -616.200
where: short stacking energy: -281.119
Base-Backbone interact. energy: -0.478
local terms energy: -307.307783
where:
bonds (distance) C4'-P energy: -62.568
bonds (distance) P-C4' energy: -55.440
flat angles C4'-P-C4' energy: -67.735
flat angles P-C4'-P energy: -42.781
tors. eta vs tors. theta energy: -78.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -750.192742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.192742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.192742 (E_RNA)
where:
Base-Base interactions energy: -474.345
where: short stacking energy: -195.289
Base-Backbone interact. energy: 3.627
local terms energy: -279.474739
where:
bonds (distance) C4'-P energy: -62.571
bonds (distance) P-C4' energy: -53.028
flat angles C4'-P-C4' energy: -61.964
flat angles P-C4'-P energy: -42.668
tors. eta vs tors. theta energy: -59.244
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: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -735.542759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.542759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.542759 (E_RNA)
where:
Base-Base interactions energy: -468.125
where: short stacking energy: -200.746
Base-Backbone interact. energy: -0.059
local terms energy: -267.593878
where:
bonds (distance) C4'-P energy: -60.724
bonds (distance) P-C4' energy: -65.581
flat angles C4'-P-C4' energy: -47.177
flat angles P-C4'-P energy: -37.923
tors. eta vs tors. theta energy: -56.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.236 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -586.227457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.227457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.227457 (E_RNA)
where:
Base-Base interactions energy: -341.730
where: short stacking energy: -152.601
Base-Backbone interact. energy: -2.097
local terms energy: -242.399913
where:
bonds (distance) C4'-P energy: -59.120
bonds (distance) P-C4' energy: -58.713
flat angles C4'-P-C4' energy: -63.268
flat angles P-C4'-P energy: -37.158
tors. eta vs tors. theta energy: -24.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -385.979159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.979159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.979159 (E_RNA)
where:
Base-Base interactions energy: -169.506
where: short stacking energy: -100.624
Base-Backbone interact. energy: -1.680
local terms energy: -214.793264
where:
bonds (distance) C4'-P energy: -52.842
bonds (distance) P-C4' energy: -63.976
flat angles C4'-P-C4' energy: -62.409
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -321.567607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.567607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.567607 (E_RNA)
where:
Base-Base interactions energy: -147.019
where: short stacking energy: -90.005
Base-Backbone interact. energy: -1.653
local terms energy: -172.896187
where:
bonds (distance) C4'-P energy: -58.073
bonds (distance) P-C4' energy: -46.839
flat angles C4'-P-C4' energy: -49.535
flat angles P-C4'-P energy: -27.053
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: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -275.652624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.652624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.652624 (E_RNA)
where:
Base-Base interactions energy: -104.854
where: short stacking energy: -74.099
Base-Backbone interact. energy: 1.763
local terms energy: -172.561446
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -56.484
flat angles C4'-P-C4' energy: -50.501
flat angles P-C4'-P energy: -21.449
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: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1147.287309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.287309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.287309 (E_RNA)
where:
Base-Base interactions energy: -787.652
where: short stacking energy: -314.454
Base-Backbone interact. energy: -1.267
local terms energy: -358.368477
where:
bonds (distance) C4'-P energy: -57.749
bonds (distance) P-C4' energy: -65.335
flat angles C4'-P-C4' energy: -74.793
flat angles P-C4'-P energy: -55.605
tors. eta vs tors. theta energy: -104.887
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: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1091.739035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.739035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.739035 (E_RNA)
where:
Base-Base interactions energy: -749.299
where: short stacking energy: -319.029
Base-Backbone interact. energy: -0.437
local terms energy: -342.003097
where:
bonds (distance) C4'-P energy: -62.164
bonds (distance) P-C4' energy: -67.010
flat angles C4'-P-C4' energy: -63.710
flat angles P-C4'-P energy: -52.380
tors. eta vs tors. theta energy: -96.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -964.020036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.020036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.020036 (E_RNA)
where:
Base-Base interactions energy: -643.358
where: short stacking energy: -268.905
Base-Backbone interact. energy: -0.407
local terms energy: -320.255568
where:
bonds (distance) C4'-P energy: -72.340
bonds (distance) P-C4' energy: -64.804
flat angles C4'-P-C4' energy: -63.043
flat angles P-C4'-P energy: -43.479
tors. eta vs tors. theta energy: -76.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -892.548410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.548410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.548410 (E_RNA)
where:
Base-Base interactions energy: -576.978
where: short stacking energy: -265.911
Base-Backbone interact. energy: 0.044
local terms energy: -316.383913
where:
bonds (distance) C4'-P energy: -65.699
bonds (distance) P-C4' energy: -62.184
flat angles C4'-P-C4' energy: -71.866
flat angles P-C4'-P energy: -40.910
tors. eta vs tors. theta energy: -75.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.769 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -800.390336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.390336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.390336 (E_RNA)
where:
Base-Base interactions energy: -501.002
where: short stacking energy: -229.516
Base-Backbone interact. energy: -1.061
local terms energy: -298.326501
where:
bonds (distance) C4'-P energy: -57.496
bonds (distance) P-C4' energy: -69.578
flat angles C4'-P-C4' energy: -58.524
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: -70.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -736.492524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.492524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.492524 (E_RNA)
where:
Base-Base interactions energy: -472.376
where: short stacking energy: -204.455
Base-Backbone interact. energy: -0.318
local terms energy: -263.798535
where:
bonds (distance) C4'-P energy: -57.801
bonds (distance) P-C4' energy: -55.077
flat angles C4'-P-C4' energy: -63.473
flat angles P-C4'-P energy: -38.349
tors. eta vs tors. theta energy: -49.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -577.771529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.771529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.771529 (E_RNA)
where:
Base-Base interactions energy: -321.168
where: short stacking energy: -147.977
Base-Backbone interact. energy: -2.660
local terms energy: -253.944319
where:
bonds (distance) C4'-P energy: -70.266
bonds (distance) P-C4' energy: -69.743
flat angles C4'-P-C4' energy: -47.396
flat angles P-C4'-P energy: -41.855
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: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -436.935222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.935222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.935222 (E_RNA)
where:
Base-Base interactions energy: -221.141
where: short stacking energy: -132.238
Base-Backbone interact. energy: 2.576
local terms energy: -218.370820
where:
bonds (distance) C4'-P energy: -68.751
bonds (distance) P-C4' energy: -61.500
flat angles C4'-P-C4' energy: -51.218
flat angles P-C4'-P energy: -23.431
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: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -275.932052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.932052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.932052 (E_RNA)
where:
Base-Base interactions energy: -110.265
where: short stacking energy: -67.516
Base-Backbone interact. energy: 0.141
local terms energy: -165.808330
where:
bonds (distance) C4'-P energy: -51.562
bonds (distance) P-C4' energy: -62.118
flat angles C4'-P-C4' energy: -53.445
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: 25.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -254.122042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.122042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.122042 (E_RNA)
where:
Base-Base interactions energy: -69.985
where: short stacking energy: -54.946
Base-Backbone interact. energy: -0.810
local terms energy: -183.327557
where:
bonds (distance) C4'-P energy: -47.447
bonds (distance) P-C4' energy: -60.976
flat angles C4'-P-C4' energy: -55.376
flat angles P-C4'-P energy: -38.399
tors. eta vs tors. theta energy: 18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1159.664499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.664499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.664499 (E_RNA)
where:
Base-Base interactions energy: -820.265
where: short stacking energy: -342.221
Base-Backbone interact. energy: 0.045
local terms energy: -339.445000
where:
bonds (distance) C4'-P energy: -59.912
bonds (distance) P-C4' energy: -72.867
flat angles C4'-P-C4' energy: -70.699
flat angles P-C4'-P energy: -32.985
tors. eta vs tors. theta energy: -102.982
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: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1085.010000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.010000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.010000 (E_RNA)
where:
Base-Base interactions energy: -737.430
where: short stacking energy: -300.693
Base-Backbone interact. energy: 3.073
local terms energy: -350.653815
where:
bonds (distance) C4'-P energy: -61.972
bonds (distance) P-C4' energy: -71.200
flat angles C4'-P-C4' energy: -74.015
flat angles P-C4'-P energy: -47.420
tors. eta vs tors. theta energy: -96.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -997.593151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.593151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.593151 (E_RNA)
where:
Base-Base interactions energy: -665.973
where: short stacking energy: -294.572
Base-Backbone interact. energy: 0.824
local terms energy: -332.444649
where:
bonds (distance) C4'-P energy: -63.407
bonds (distance) P-C4' energy: -69.532
flat angles C4'-P-C4' energy: -71.424
flat angles P-C4'-P energy: -48.348
tors. eta vs tors. theta energy: -79.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -930.860667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.860667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.860667 (E_RNA)
where:
Base-Base interactions energy: -613.626
where: short stacking energy: -266.383
Base-Backbone interact. energy: -0.575
local terms energy: -317.200491
where:
bonds (distance) C4'-P energy: -72.470
bonds (distance) P-C4' energy: -54.112
flat angles C4'-P-C4' energy: -70.788
flat angles P-C4'-P energy: -43.047
tors. eta vs tors. theta energy: -76.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.541 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -764.107789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.107789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.107789 (E_RNA)
where:
Base-Base interactions energy: -482.665
where: short stacking energy: -224.532
Base-Backbone interact. energy: 0.911
local terms energy: -282.354006
where:
bonds (distance) C4'-P energy: -54.013
bonds (distance) P-C4' energy: -62.820
flat angles C4'-P-C4' energy: -73.289
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -57.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -684.779772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.779772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.779772 (E_RNA)
where:
Base-Base interactions energy: -421.247
where: short stacking energy: -194.626
Base-Backbone interact. energy: -0.024
local terms energy: -263.508747
where:
bonds (distance) C4'-P energy: -61.359
bonds (distance) P-C4' energy: -63.855
flat angles C4'-P-C4' energy: -60.335
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -39.981
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: 259
Temperature: 1.200000
Total energy: -560.791899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.791899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.791899 (E_RNA)
where:
Base-Base interactions energy: -310.353
where: short stacking energy: -159.523
Base-Backbone interact. energy: -1.473
local terms energy: -248.965990
where:
bonds (distance) C4'-P energy: -61.640
bonds (distance) P-C4' energy: -64.236
flat angles C4'-P-C4' energy: -63.800
flat angles P-C4'-P energy: -33.183
tors. eta vs tors. theta energy: -26.107
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: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -421.926353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.926353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.926353 (E_RNA)
where:
Base-Base interactions energy: -188.672
where: short stacking energy: -108.664
Base-Backbone interact. energy: -0.114
local terms energy: -233.140688
where:
bonds (distance) C4'-P energy: -62.943
bonds (distance) P-C4' energy: -64.241
flat angles C4'-P-C4' energy: -55.010
flat angles P-C4'-P energy: -38.835
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -277.514226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.514226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.514226 (E_RNA)
where:
Base-Base interactions energy: -92.815
where: short stacking energy: -76.788
Base-Backbone interact. energy: -1.210
local terms energy: -183.489303
where:
bonds (distance) C4'-P energy: -48.841
bonds (distance) P-C4' energy: -59.365
flat angles C4'-P-C4' energy: -52.527
flat angles P-C4'-P energy: -33.449
tors. eta vs tors. theta energy: 10.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -289.843108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.843108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.843108 (E_RNA)
where:
Base-Base interactions energy: -92.967
where: short stacking energy: -80.804
Base-Backbone interact. energy: -1.387
local terms energy: -195.488819
where:
bonds (distance) C4'-P energy: -56.564
bonds (distance) P-C4' energy: -50.847
flat angles C4'-P-C4' energy: -55.922
flat angles P-C4'-P energy: -32.603
tors. eta vs tors. theta energy: 0.447
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: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1175.429212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.429212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.429212 (E_RNA)
where:
Base-Base interactions energy: -823.492
where: short stacking energy: -336.399
Base-Backbone interact. energy: -1.493
local terms energy: -350.443924
where:
bonds (distance) C4'-P energy: -58.560
bonds (distance) P-C4' energy: -66.517
flat angles C4'-P-C4' energy: -76.382
flat angles P-C4'-P energy: -42.961
tors. eta vs tors. theta energy: -106.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1082.469411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.469411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.469411 (E_RNA)
where:
Base-Base interactions energy: -729.531
where: short stacking energy: -307.994
Base-Backbone interact. energy: -1.710
local terms energy: -351.228559
where:
bonds (distance) C4'-P energy: -59.270
bonds (distance) P-C4' energy: -74.111
flat angles C4'-P-C4' energy: -81.530
flat angles P-C4'-P energy: -38.658
tors. eta vs tors. theta energy: -97.661
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: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -986.304854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.304854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.304854 (E_RNA)
where:
Base-Base interactions energy: -665.967
where: short stacking energy: -265.559
Base-Backbone interact. energy: -3.417
local terms energy: -316.921371
where:
bonds (distance) C4'-P energy: -67.596
bonds (distance) P-C4' energy: -57.733
flat angles C4'-P-C4' energy: -71.532
flat angles P-C4'-P energy: -39.303
tors. eta vs tors. theta energy: -80.758
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: 260
Temperature: 1.050000
Total energy: -937.831494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.831494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.831494 (E_RNA)
where:
Base-Base interactions energy: -637.159
where: short stacking energy: -266.189
Base-Backbone interact. energy: -1.818
local terms energy: -300.364367
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -60.740
flat angles C4'-P-C4' energy: -63.176
flat angles P-C4'-P energy: -46.888
tors. eta vs tors. theta energy: -74.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.510 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -818.528695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.528695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.528695 (E_RNA)
where:
Base-Base interactions energy: -500.838
where: short stacking energy: -245.915
Base-Backbone interact. energy: -3.380
local terms energy: -314.310536
where:
bonds (distance) C4'-P energy: -65.858
bonds (distance) P-C4' energy: -66.511
flat angles C4'-P-C4' energy: -67.551
flat angles P-C4'-P energy: -44.640
tors. eta vs tors. theta energy: -69.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -738.274399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.274399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.274399 (E_RNA)
where:
Base-Base interactions energy: -474.522
where: short stacking energy: -226.317
Base-Backbone interact. energy: -1.390
local terms energy: -262.362706
where:
bonds (distance) C4'-P energy: -54.071
bonds (distance) P-C4' energy: -58.043
flat angles C4'-P-C4' energy: -57.099
flat angles P-C4'-P energy: -38.633
tors. eta vs tors. theta energy: -54.517
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: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -525.343534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.343534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.343534 (E_RNA)
where:
Base-Base interactions energy: -313.353
where: short stacking energy: -152.933
Base-Backbone interact. energy: 5.142
local terms energy: -217.132450
where:
bonds (distance) C4'-P energy: -54.372
bonds (distance) P-C4' energy: -60.620
flat angles C4'-P-C4' energy: -47.269
flat angles P-C4'-P energy: -32.266
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -376.700036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.700036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.700036 (E_RNA)
where:
Base-Base interactions energy: -165.391
where: short stacking energy: -107.223
Base-Backbone interact. energy: -1.383
local terms energy: -209.926879
where:
bonds (distance) C4'-P energy: -55.772
bonds (distance) P-C4' energy: -69.548
flat angles C4'-P-C4' energy: -49.544
flat angles P-C4'-P energy: -32.906
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -294.792970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.792970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.792970 (E_RNA)
where:
Base-Base interactions energy: -113.739
where: short stacking energy: -79.492
Base-Backbone interact. energy: -0.154
local terms energy: -182.741095
where:
bonds (distance) C4'-P energy: -69.940
bonds (distance) P-C4' energy: -55.379
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -34.336
tors. eta vs tors. theta energy: 11.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.841 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -271.622001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.622001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.622001 (E_RNA)
where:
Base-Base interactions energy: -95.618
where: short stacking energy: -76.562
Base-Backbone interact. energy: 1.547
local terms energy: -177.551310
where:
bonds (distance) C4'-P energy: -55.295
bonds (distance) P-C4' energy: -57.013
flat angles C4'-P-C4' energy: -40.401
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: 6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1154.322207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.322207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.322207 (E_RNA)
where:
Base-Base interactions energy: -790.683
where: short stacking energy: -330.381
Base-Backbone interact. energy: -0.483
local terms energy: -363.156282
where:
bonds (distance) C4'-P energy: -69.716
bonds (distance) P-C4' energy: -73.106
flat angles C4'-P-C4' energy: -69.433
flat angles P-C4'-P energy: -49.126
tors. eta vs tors. theta energy: -101.776
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: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1087.555638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.555638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.555638 (E_RNA)
where:
Base-Base interactions energy: -731.754
where: short stacking energy: -307.191
Base-Backbone interact. energy: -1.506
local terms energy: -354.295883
where:
bonds (distance) C4'-P energy: -67.059
bonds (distance) P-C4' energy: -64.745
flat angles C4'-P-C4' energy: -75.716
flat angles P-C4'-P energy: -52.503
tors. eta vs tors. theta energy: -94.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -987.543158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.543158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.543158 (E_RNA)
where:
Base-Base interactions energy: -652.540
where: short stacking energy: -273.107
Base-Backbone interact. energy: -1.009
local terms energy: -333.994050
where:
bonds (distance) C4'-P energy: -64.885
bonds (distance) P-C4' energy: -68.804
flat angles C4'-P-C4' energy: -70.422
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -85.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -991.539109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.539109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.539109 (E_RNA)
where:
Base-Base interactions energy: -659.456
where: short stacking energy: -286.851
Base-Backbone interact. energy: -1.209
local terms energy: -330.874508
where:
bonds (distance) C4'-P energy: -59.786
bonds (distance) P-C4' energy: -62.312
flat angles C4'-P-C4' energy: -77.634
flat angles P-C4'-P energy: -45.951
tors. eta vs tors. theta energy: -85.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -814.783017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.783017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.783017 (E_RNA)
where:
Base-Base interactions energy: -512.331
where: short stacking energy: -257.110
Base-Backbone interact. energy: -0.267
local terms energy: -302.185382
where:
bonds (distance) C4'-P energy: -56.306
bonds (distance) P-C4' energy: -63.401
flat angles C4'-P-C4' energy: -65.387
flat angles P-C4'-P energy: -43.854
tors. eta vs tors. theta energy: -73.237
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: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -690.194890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.194890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.194890 (E_RNA)
where:
Base-Base interactions energy: -435.949
where: short stacking energy: -208.263
Base-Backbone interact. energy: 2.277
local terms energy: -256.523512
where:
bonds (distance) C4'-P energy: -61.142
bonds (distance) P-C4' energy: -46.357
flat angles C4'-P-C4' energy: -66.749
flat angles P-C4'-P energy: -40.786
tors. eta vs tors. theta energy: -41.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.001 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -530.737525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.737525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.737525 (E_RNA)
where:
Base-Base interactions energy: -297.024
where: short stacking energy: -154.550
Base-Backbone interact. energy: -1.689
local terms energy: -232.023906
where:
bonds (distance) C4'-P energy: -53.601
bonds (distance) P-C4' energy: -64.189
flat angles C4'-P-C4' energy: -51.336
flat angles P-C4'-P energy: -35.085
tors. eta vs tors. theta energy: -27.813
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: 261
Temperature: 1.250000
Total energy: -358.267488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.267488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.267488 (E_RNA)
where:
Base-Base interactions energy: -154.093
where: short stacking energy: -103.894
Base-Backbone interact. energy: -2.041
local terms energy: -202.133750
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -57.714
flat angles C4'-P-C4' energy: -49.497
flat angles P-C4'-P energy: -34.191
tors. eta vs tors. theta energy: -7.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -295.638922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.638922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.638922 (E_RNA)
where:
Base-Base interactions energy: -109.500
where: short stacking energy: -78.814
Base-Backbone interact. energy: -1.545
local terms energy: -184.593970
where:
bonds (distance) C4'-P energy: -58.926
bonds (distance) P-C4' energy: -61.900
flat angles C4'-P-C4' energy: -42.171
flat angles P-C4'-P energy: -29.234
tors. eta vs tors. theta energy: 7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -267.573424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.573424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.573424 (E_RNA)
where:
Base-Base interactions energy: -114.979
where: short stacking energy: -78.384
Base-Backbone interact. energy: -0.408
local terms energy: -152.186748
where:
bonds (distance) C4'-P energy: -46.402
bonds (distance) P-C4' energy: -53.213
flat angles C4'-P-C4' energy: -42.607
flat angles P-C4'-P energy: -18.010
tors. eta vs tors. theta energy: 8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1121.799180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.799180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.799180 (E_RNA)
where:
Base-Base interactions energy: -761.796
where: short stacking energy: -319.752
Base-Backbone interact. energy: -0.896
local terms energy: -359.107552
where:
bonds (distance) C4'-P energy: -62.428
bonds (distance) P-C4' energy: -65.567
flat angles C4'-P-C4' energy: -76.986
flat angles P-C4'-P energy: -55.350
tors. eta vs tors. theta energy: -98.777
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: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1124.354199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.354199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.354199 (E_RNA)
where:
Base-Base interactions energy: -766.921
where: short stacking energy: -316.403
Base-Backbone interact. energy: -1.485
local terms energy: -355.948655
where:
bonds (distance) C4'-P energy: -67.160
bonds (distance) P-C4' energy: -65.931
flat angles C4'-P-C4' energy: -66.556
flat angles P-C4'-P energy: -54.827
tors. eta vs tors. theta energy: -101.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -975.751034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.751034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.751034 (E_RNA)
where:
Base-Base interactions energy: -660.341
where: short stacking energy: -278.628
Base-Backbone interact. energy: 0.455
local terms energy: -315.865630
where:
bonds (distance) C4'-P energy: -70.237
bonds (distance) P-C4' energy: -59.849
flat angles C4'-P-C4' energy: -68.073
flat angles P-C4'-P energy: -44.472
tors. eta vs tors. theta energy: -73.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -903.550456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.550456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.550456 (E_RNA)
where:
Base-Base interactions energy: -597.885
where: short stacking energy: -265.087
Base-Backbone interact. energy: -1.051
local terms energy: -304.614988
where:
bonds (distance) C4'-P energy: -59.283
bonds (distance) P-C4' energy: -63.327
flat angles C4'-P-C4' energy: -67.777
flat angles P-C4'-P energy: -39.055
tors. eta vs tors. theta energy: -75.172
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: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -793.816476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.816476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.816476 (E_RNA)
where:
Base-Base interactions energy: -503.658
where: short stacking energy: -236.455
Base-Backbone interact. energy: -1.365
local terms energy: -288.793852
where:
bonds (distance) C4'-P energy: -60.311
bonds (distance) P-C4' energy: -56.289
flat angles C4'-P-C4' energy: -68.977
flat angles P-C4'-P energy: -34.670
tors. eta vs tors. theta energy: -68.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -713.431957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.431957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.431957 (E_RNA)
where:
Base-Base interactions energy: -469.914
where: short stacking energy: -191.465
Base-Backbone interact. energy: -0.788
local terms energy: -242.730253
where:
bonds (distance) C4'-P energy: -54.369
bonds (distance) P-C4' energy: -65.325
flat angles C4'-P-C4' energy: -56.327
flat angles P-C4'-P energy: -24.767
tors. eta vs tors. theta energy: -41.943
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: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -566.189957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.189957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.189957 (E_RNA)
where:
Base-Base interactions energy: -340.279
where: short stacking energy: -168.755
Base-Backbone interact. energy: -0.931
local terms energy: -224.979221
where:
bonds (distance) C4'-P energy: -63.006
bonds (distance) P-C4' energy: -48.418
flat angles C4'-P-C4' energy: -49.477
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -411.553707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.553707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.553707 (E_RNA)
where:
Base-Base interactions energy: -187.658
where: short stacking energy: -133.731
Base-Backbone interact. energy: 0.385
local terms energy: -224.280880
where:
bonds (distance) C4'-P energy: -55.126
bonds (distance) P-C4' energy: -61.693
flat angles C4'-P-C4' energy: -47.120
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -22.231
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: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -318.350613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.350613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.350613 (E_RNA)
where:
Base-Base interactions energy: -145.053
where: short stacking energy: -77.560
Base-Backbone interact. energy: 3.765
local terms energy: -177.062583
where:
bonds (distance) C4'-P energy: -63.935
bonds (distance) P-C4' energy: -64.085
flat angles C4'-P-C4' energy: -26.034
flat angles P-C4'-P energy: -28.697
tors. eta vs tors. theta energy: 5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -272.643012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.643012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.643012 (E_RNA)
where:
Base-Base interactions energy: -84.424
where: short stacking energy: -69.229
Base-Backbone interact. energy: -0.234
local terms energy: -189.846596
where:
bonds (distance) C4'-P energy: -53.079
bonds (distance) P-C4' energy: -62.691
flat angles C4'-P-C4' energy: -47.770
flat angles P-C4'-P energy: -36.288
tors. eta vs tors. theta energy: 9.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.862 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1113.178053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.178053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.178053 (E_RNA)
where:
Base-Base interactions energy: -774.588
where: short stacking energy: -325.901
Base-Backbone interact. energy: 0.162
local terms energy: -338.752243
where:
bonds (distance) C4'-P energy: -57.919
bonds (distance) P-C4' energy: -56.466
flat angles C4'-P-C4' energy: -78.552
flat angles P-C4'-P energy: -46.530
tors. eta vs tors. theta energy: -99.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1130.529766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.529766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.529766 (E_RNA)
where:
Base-Base interactions energy: -773.061
where: short stacking energy: -319.660
Base-Backbone interact. energy: -1.310
local terms energy: -356.159065
where:
bonds (distance) C4'-P energy: -62.707
bonds (distance) P-C4' energy: -56.409
flat angles C4'-P-C4' energy: -76.194
flat angles P-C4'-P energy: -57.574
tors. eta vs tors. theta energy: -103.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -953.833373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.833373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.833373 (E_RNA)
where:
Base-Base interactions energy: -628.615
where: short stacking energy: -264.355
Base-Backbone interact. energy: -0.873
local terms energy: -324.345280
where:
bonds (distance) C4'-P energy: -67.555
bonds (distance) P-C4' energy: -58.931
flat angles C4'-P-C4' energy: -74.325
flat angles P-C4'-P energy: -44.271
tors. eta vs tors. theta energy: -79.263
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: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -908.099233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.099233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.099233 (E_RNA)
where:
Base-Base interactions energy: -602.952
where: short stacking energy: -264.596
Base-Backbone interact. energy: 0.165
local terms energy: -305.311649
where:
bonds (distance) C4'-P energy: -60.955
bonds (distance) P-C4' energy: -66.099
flat angles C4'-P-C4' energy: -67.879
flat angles P-C4'-P energy: -37.931
tors. eta vs tors. theta energy: -72.448
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: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -829.950826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.950826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.950826 (E_RNA)
where:
Base-Base interactions energy: -536.968
where: short stacking energy: -244.925
Base-Backbone interact. energy: -1.283
local terms energy: -291.700240
where:
bonds (distance) C4'-P energy: -72.992
bonds (distance) P-C4' energy: -56.705
flat angles C4'-P-C4' energy: -54.079
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -60.331
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: 263
Temperature: 1.150000
Total energy: -741.504872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.504872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.504872 (E_RNA)
where:
Base-Base interactions energy: -478.264
where: short stacking energy: -206.323
Base-Backbone interact. energy: -2.186
local terms energy: -261.054577
where:
bonds (distance) C4'-P energy: -55.711
bonds (distance) P-C4' energy: -50.383
flat angles C4'-P-C4' energy: -66.895
flat angles P-C4'-P energy: -29.239
tors. eta vs tors. theta energy: -58.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -546.695737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.695737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.695737 (E_RNA)
where:
Base-Base interactions energy: -326.946
where: short stacking energy: -169.902
Base-Backbone interact. energy: -1.240
local terms energy: -218.509585
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -59.323
flat angles C4'-P-C4' energy: -56.398
flat angles P-C4'-P energy: -38.598
tors. eta vs tors. theta energy: -19.548
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: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -377.278542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.278542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.278542 (E_RNA)
where:
Base-Base interactions energy: -188.129
where: short stacking energy: -101.674
Base-Backbone interact. energy: -1.578
local terms energy: -187.572228
where:
bonds (distance) C4'-P energy: -36.968
bonds (distance) P-C4' energy: -65.074
flat angles C4'-P-C4' energy: -48.519
flat angles P-C4'-P energy: -32.960
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -389.768903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.768903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.768903 (E_RNA)
where:
Base-Base interactions energy: -185.080
where: short stacking energy: -103.646
Base-Backbone interact. energy: -0.547
local terms energy: -204.141431
where:
bonds (distance) C4'-P energy: -66.357
bonds (distance) P-C4' energy: -51.281
flat angles C4'-P-C4' energy: -59.352
flat angles P-C4'-P energy: -23.814
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -280.642546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.642546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.642546 (E_RNA)
where:
Base-Base interactions energy: -113.685
where: short stacking energy: -80.638
Base-Backbone interact. energy: 1.560
local terms energy: -168.550979
where:
bonds (distance) C4'-P energy: -52.281
bonds (distance) P-C4' energy: -45.315
flat angles C4'-P-C4' energy: -48.734
flat angles P-C4'-P energy: -25.418
tors. eta vs tors. theta energy: 3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.034 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1134.685688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.685688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.685688 (E_RNA)
where:
Base-Base interactions energy: -780.095
where: short stacking energy: -320.928
Base-Backbone interact. energy: -0.753
local terms energy: -353.837926
where:
bonds (distance) C4'-P energy: -65.272
bonds (distance) P-C4' energy: -60.920
flat angles C4'-P-C4' energy: -71.350
flat angles P-C4'-P energy: -49.374
tors. eta vs tors. theta energy: -106.922
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: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1105.391575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.391575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.391575 (E_RNA)
where:
Base-Base interactions energy: -765.353
where: short stacking energy: -311.358
Base-Backbone interact. energy: -1.320
local terms energy: -338.719274
where:
bonds (distance) C4'-P energy: -63.066
bonds (distance) P-C4' energy: -66.634
flat angles C4'-P-C4' energy: -71.722
flat angles P-C4'-P energy: -37.705
tors. eta vs tors. theta energy: -99.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -975.974419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.974419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.974419 (E_RNA)
where:
Base-Base interactions energy: -654.633
where: short stacking energy: -277.841
Base-Backbone interact. energy: -0.456
local terms energy: -320.885080
where:
bonds (distance) C4'-P energy: -69.152
bonds (distance) P-C4' energy: -72.070
flat angles C4'-P-C4' energy: -62.862
flat angles P-C4'-P energy: -41.672
tors. eta vs tors. theta energy: -75.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -910.962035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.962035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.962035 (E_RNA)
where:
Base-Base interactions energy: -592.310
where: short stacking energy: -257.254
Base-Backbone interact. energy: 2.612
local terms energy: -321.263284
where:
bonds (distance) C4'-P energy: -66.767
bonds (distance) P-C4' energy: -71.134
flat angles C4'-P-C4' energy: -61.149
flat angles P-C4'-P energy: -46.651
tors. eta vs tors. theta energy: -75.563
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: 5, replica: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -823.470756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.470756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.470756 (E_RNA)
where:
Base-Base interactions energy: -535.714
where: short stacking energy: -241.539
Base-Backbone interact. energy: -1.460
local terms energy: -286.297045
where:
bonds (distance) C4'-P energy: -45.745
bonds (distance) P-C4' energy: -71.749
flat angles C4'-P-C4' energy: -57.893
flat angles P-C4'-P energy: -44.743
tors. eta vs tors. theta energy: -66.167
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: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -729.844417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.844417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.844417 (E_RNA)
where:
Base-Base interactions energy: -447.461
where: short stacking energy: -191.865
Base-Backbone interact. energy: 0.151
local terms energy: -282.534912
where:
bonds (distance) C4'-P energy: -55.394
bonds (distance) P-C4' energy: -66.668
flat angles C4'-P-C4' energy: -67.435
flat angles P-C4'-P energy: -35.997
tors. eta vs tors. theta energy: -57.041
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: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -562.040698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.040698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.040698 (E_RNA)
where:
Base-Base interactions energy: -312.486
where: short stacking energy: -155.680
Base-Backbone interact. energy: 5.612
local terms energy: -255.942658
where:
bonds (distance) C4'-P energy: -65.962
bonds (distance) P-C4' energy: -68.633
flat angles C4'-P-C4' energy: -54.033
flat angles P-C4'-P energy: -33.751
tors. eta vs tors. theta energy: -33.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.776 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -381.352367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.352367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.352367 (E_RNA)
where:
Base-Base interactions energy: -155.205
where: short stacking energy: -95.982
Base-Backbone interact. energy: 2.565
local terms energy: -228.712588
where:
bonds (distance) C4'-P energy: -63.918
bonds (distance) P-C4' energy: -56.864
flat angles C4'-P-C4' energy: -50.816
flat angles P-C4'-P energy: -47.844
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -394.452493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.452493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.452493 (E_RNA)
where:
Base-Base interactions energy: -173.329
where: short stacking energy: -109.247
Base-Backbone interact. energy: 1.254
local terms energy: -222.377450
where:
bonds (distance) C4'-P energy: -61.280
bonds (distance) P-C4' energy: -71.221
flat angles C4'-P-C4' energy: -52.535
flat angles P-C4'-P energy: -27.990
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -264.183980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.183980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.183980 (E_RNA)
where:
Base-Base interactions energy: -86.274
where: short stacking energy: -64.525
Base-Backbone interact. energy: 1.775
local terms energy: -179.784038
where:
bonds (distance) C4'-P energy: -56.403
bonds (distance) P-C4' energy: -58.600
flat angles C4'-P-C4' energy: -39.486
flat angles P-C4'-P energy: -39.929
tors. eta vs tors. theta energy: 14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.099 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1119.450822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.450822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.450822 (E_RNA)
where:
Base-Base interactions energy: -753.555
where: short stacking energy: -308.884
Base-Backbone interact. energy: -0.693
local terms energy: -365.202997
where:
bonds (distance) C4'-P energy: -65.736
bonds (distance) P-C4' energy: -73.440
flat angles C4'-P-C4' energy: -79.736
flat angles P-C4'-P energy: -48.235
tors. eta vs tors. theta energy: -98.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1079.243228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.243228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.243228 (E_RNA)
where:
Base-Base interactions energy: -741.074
where: short stacking energy: -324.791
Base-Backbone interact. energy: 1.178
local terms energy: -339.347091
where:
bonds (distance) C4'-P energy: -60.884
bonds (distance) P-C4' energy: -61.359
flat angles C4'-P-C4' energy: -71.032
flat angles P-C4'-P energy: -48.917
tors. eta vs tors. theta energy: -97.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -983.613180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.613180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.613180 (E_RNA)
where:
Base-Base interactions energy: -663.899
where: short stacking energy: -305.131
Base-Backbone interact. energy: -1.893
local terms energy: -317.821418
where:
bonds (distance) C4'-P energy: -62.611
bonds (distance) P-C4' energy: -63.117
flat angles C4'-P-C4' energy: -66.602
flat angles P-C4'-P energy: -37.963
tors. eta vs tors. theta energy: -87.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -931.287792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.287792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.287792 (E_RNA)
where:
Base-Base interactions energy: -603.136
where: short stacking energy: -290.475
Base-Backbone interact. energy: -0.595
local terms energy: -327.556309
where:
bonds (distance) C4'-P energy: -63.103
bonds (distance) P-C4' energy: -67.245
flat angles C4'-P-C4' energy: -63.047
flat angles P-C4'-P energy: -47.048
tors. eta vs tors. theta energy: -87.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -888.190746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.190746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.190746 (E_RNA)
where:
Base-Base interactions energy: -575.538
where: short stacking energy: -238.095
Base-Backbone interact. energy: 0.862
local terms energy: -313.514625
where:
bonds (distance) C4'-P energy: -52.790
bonds (distance) P-C4' energy: -68.892
flat angles C4'-P-C4' energy: -62.018
flat angles P-C4'-P energy: -52.220
tors. eta vs tors. theta energy: -77.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -768.823063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.823063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.823063 (E_RNA)
where:
Base-Base interactions energy: -490.773
where: short stacking energy: -212.343
Base-Backbone interact. energy: -2.104
local terms energy: -275.946675
where:
bonds (distance) C4'-P energy: -57.200
bonds (distance) P-C4' energy: -64.857
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -34.851
tors. eta vs tors. theta energy: -62.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -584.586789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.586789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.586789 (E_RNA)
where:
Base-Base interactions energy: -334.670
where: short stacking energy: -162.182
Base-Backbone interact. energy: -0.136
local terms energy: -249.781275
where:
bonds (distance) C4'-P energy: -49.049
bonds (distance) P-C4' energy: -64.765
flat angles C4'-P-C4' energy: -59.200
flat angles P-C4'-P energy: -40.176
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: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -424.904322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.904322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.904322 (E_RNA)
where:
Base-Base interactions energy: -214.669
where: short stacking energy: -141.242
Base-Backbone interact. energy: -0.542
local terms energy: -209.692882
where:
bonds (distance) C4'-P energy: -56.455
bonds (distance) P-C4' energy: -60.166
flat angles C4'-P-C4' energy: -58.611
flat angles P-C4'-P energy: -20.268
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: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -360.584168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.584168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.584168 (E_RNA)
where:
Base-Base interactions energy: -152.565
where: short stacking energy: -92.368
Base-Backbone interact. energy: -1.547
local terms energy: -206.471537
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -70.643
flat angles C4'-P-C4' energy: -53.740
flat angles P-C4'-P energy: -29.832
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: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -277.460377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.460377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.460377 (E_RNA)
where:
Base-Base interactions energy: -85.408
where: short stacking energy: -67.542
Base-Backbone interact. energy: -0.844
local terms energy: -191.208223
where:
bonds (distance) C4'-P energy: -54.065
bonds (distance) P-C4' energy: -54.010
flat angles C4'-P-C4' energy: -48.462
flat angles P-C4'-P energy: -37.389
tors. eta vs tors. theta energy: 2.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1137.888531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.888531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.888531 (E_RNA)
where:
Base-Base interactions energy: -771.427
where: short stacking energy: -331.896
Base-Backbone interact. energy: 2.177
local terms energy: -368.637742
where:
bonds (distance) C4'-P energy: -66.467
bonds (distance) P-C4' energy: -63.631
flat angles C4'-P-C4' energy: -76.835
flat angles P-C4'-P energy: -53.984
tors. eta vs tors. theta energy: -107.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1091.005103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.005103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.005103 (E_RNA)
where:
Base-Base interactions energy: -733.391
where: short stacking energy: -313.191
Base-Backbone interact. energy: -1.530
local terms energy: -356.083816
where:
bonds (distance) C4'-P energy: -70.296
bonds (distance) P-C4' energy: -73.994
flat angles C4'-P-C4' energy: -71.951
flat angles P-C4'-P energy: -40.694
tors. eta vs tors. theta energy: -99.149
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: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -989.912564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.912564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.912564 (E_RNA)
where:
Base-Base interactions energy: -648.016
where: short stacking energy: -270.713
Base-Backbone interact. energy: -1.003
local terms energy: -340.893075
where:
bonds (distance) C4'-P energy: -63.868
bonds (distance) P-C4' energy: -63.848
flat angles C4'-P-C4' energy: -74.601
flat angles P-C4'-P energy: -54.872
tors. eta vs tors. theta energy: -83.704
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: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -928.720128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.720128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.720128 (E_RNA)
where:
Base-Base interactions energy: -628.315
where: short stacking energy: -253.154
Base-Backbone interact. energy: 0.136
local terms energy: -300.541169
where:
bonds (distance) C4'-P energy: -60.633
bonds (distance) P-C4' energy: -60.130
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -44.480
tors. eta vs tors. theta energy: -70.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -912.351233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.351233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.351233 (E_RNA)
where:
Base-Base interactions energy: -597.364
where: short stacking energy: -256.399
Base-Backbone interact. energy: -0.237
local terms energy: -314.750132
where:
bonds (distance) C4'-P energy: -62.289
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -63.697
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: -65.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -726.808074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.808074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.808074 (E_RNA)
where:
Base-Base interactions energy: -449.905
where: short stacking energy: -182.446
Base-Backbone interact. energy: 0.481
local terms energy: -277.383914
where:
bonds (distance) C4'-P energy: -57.000
bonds (distance) P-C4' energy: -60.472
flat angles C4'-P-C4' energy: -66.472
flat angles P-C4'-P energy: -50.473
tors. eta vs tors. theta energy: -42.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -570.434389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.434389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.434389 (E_RNA)
where:
Base-Base interactions energy: -351.572
where: short stacking energy: -178.941
Base-Backbone interact. energy: -0.213
local terms energy: -218.649895
where:
bonds (distance) C4'-P energy: -62.779
bonds (distance) P-C4' energy: -45.878
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -30.785
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -387.971072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.971072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.971072 (E_RNA)
where:
Base-Base interactions energy: -201.187
where: short stacking energy: -110.397
Base-Backbone interact. energy: 2.539
local terms energy: -189.323079
where:
bonds (distance) C4'-P energy: -57.890
bonds (distance) P-C4' energy: -51.010
flat angles C4'-P-C4' energy: -50.304
flat angles P-C4'-P energy: -27.411
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -335.014169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.014169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.014169 (E_RNA)
where:
Base-Base interactions energy: -148.517
where: short stacking energy: -80.163
Base-Backbone interact. energy: -0.018
local terms energy: -186.479245
where:
bonds (distance) C4'-P energy: -52.897
bonds (distance) P-C4' energy: -60.801
flat angles C4'-P-C4' energy: -40.984
flat angles P-C4'-P energy: -31.666
tors. eta vs tors. theta energy: -0.130
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: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -278.154568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.154568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.154568 (E_RNA)
where:
Base-Base interactions energy: -85.172
where: short stacking energy: -78.044
Base-Backbone interact. energy: 1.000
local terms energy: -193.982303
where:
bonds (distance) C4'-P energy: -49.528
bonds (distance) P-C4' energy: -65.533
flat angles C4'-P-C4' energy: -61.899
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: 9.891
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: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1131.455674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.455674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.455674 (E_RNA)
where:
Base-Base interactions energy: -772.327
where: short stacking energy: -325.356
Base-Backbone interact. energy: 2.821
local terms energy: -361.949599
where:
bonds (distance) C4'-P energy: -61.544
bonds (distance) P-C4' energy: -67.316
flat angles C4'-P-C4' energy: -75.260
flat angles P-C4'-P energy: -51.725
tors. eta vs tors. theta energy: -106.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1098.175647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.175647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.175647 (E_RNA)
where:
Base-Base interactions energy: -753.127
where: short stacking energy: -307.847
Base-Backbone interact. energy: -0.626
local terms energy: -344.422300
where:
bonds (distance) C4'-P energy: -75.898
bonds (distance) P-C4' energy: -62.095
flat angles C4'-P-C4' energy: -69.792
flat angles P-C4'-P energy: -39.053
tors. eta vs tors. theta energy: -97.584
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: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -980.435838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.435838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.435838 (E_RNA)
where:
Base-Base interactions energy: -656.462
where: short stacking energy: -259.135
Base-Backbone interact. energy: 0.162
local terms energy: -324.135615
where:
bonds (distance) C4'-P energy: -60.458
bonds (distance) P-C4' energy: -62.270
flat angles C4'-P-C4' energy: -74.776
flat angles P-C4'-P energy: -46.317
tors. eta vs tors. theta energy: -80.315
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: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -902.414075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.414075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.414075 (E_RNA)
where:
Base-Base interactions energy: -582.233
where: short stacking energy: -241.508
Base-Backbone interact. energy: -2.440
local terms energy: -317.741650
where:
bonds (distance) C4'-P energy: -58.829
bonds (distance) P-C4' energy: -63.435
flat angles C4'-P-C4' energy: -75.469
flat angles P-C4'-P energy: -51.962
tors. eta vs tors. theta energy: -68.047
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: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -917.458002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.458002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.458002 (E_RNA)
where:
Base-Base interactions energy: -604.850
where: short stacking energy: -244.971
Base-Backbone interact. energy: -2.074
local terms energy: -310.533105
where:
bonds (distance) C4'-P energy: -51.342
bonds (distance) P-C4' energy: -69.508
flat angles C4'-P-C4' energy: -68.817
flat angles P-C4'-P energy: -46.158
tors. eta vs tors. theta energy: -74.709
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: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -707.236815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.236815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.236815 (E_RNA)
where:
Base-Base interactions energy: -429.891
where: short stacking energy: -185.800
Base-Backbone interact. energy: 1.764
local terms energy: -279.109116
where:
bonds (distance) C4'-P energy: -53.299
bonds (distance) P-C4' energy: -72.765
flat angles C4'-P-C4' energy: -62.477
flat angles P-C4'-P energy: -48.017
tors. eta vs tors. theta energy: -42.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -575.875375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.875375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.875375 (E_RNA)
where:
Base-Base interactions energy: -323.096
where: short stacking energy: -165.016
Base-Backbone interact. energy: -0.879
local terms energy: -251.900920
where:
bonds (distance) C4'-P energy: -54.464
bonds (distance) P-C4' energy: -66.322
flat angles C4'-P-C4' energy: -60.837
flat angles P-C4'-P energy: -38.602
tors. eta vs tors. theta energy: -31.676
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: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -433.595036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.595036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.595036 (E_RNA)
where:
Base-Base interactions energy: -192.692
where: short stacking energy: -107.640
Base-Backbone interact. energy: -1.865
local terms energy: -239.037511
where:
bonds (distance) C4'-P energy: -66.993
bonds (distance) P-C4' energy: -67.600
flat angles C4'-P-C4' energy: -59.134
flat angles P-C4'-P energy: -38.110
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -423.779238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.779238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.779238 (E_RNA)
where:
Base-Base interactions energy: -225.217
where: short stacking energy: -122.611
Base-Backbone interact. energy: -0.611
local terms energy: -197.951733
where:
bonds (distance) C4'-P energy: -44.992
bonds (distance) P-C4' energy: -56.892
flat angles C4'-P-C4' energy: -43.582
flat angles P-C4'-P energy: -34.587
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: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -276.097308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.097308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.097308 (E_RNA)
where:
Base-Base interactions energy: -105.927
where: short stacking energy: -70.997
Base-Backbone interact. energy: -1.435
local terms energy: -168.734502
where:
bonds (distance) C4'-P energy: -57.975
bonds (distance) P-C4' energy: -62.413
flat angles C4'-P-C4' energy: -47.231
flat angles P-C4'-P energy: -25.405
tors. eta vs tors. theta energy: 24.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1133.318951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.318951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.318951 (E_RNA)
where:
Base-Base interactions energy: -763.966
where: short stacking energy: -325.765
Base-Backbone interact. energy: -1.478
local terms energy: -368.087352
where:
bonds (distance) C4'-P energy: -64.466
bonds (distance) P-C4' energy: -74.672
flat angles C4'-P-C4' energy: -78.185
flat angles P-C4'-P energy: -49.711
tors. eta vs tors. theta energy: -101.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.212 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1098.914708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.914708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.914708 (E_RNA)
where:
Base-Base interactions energy: -748.159
where: short stacking energy: -317.873
Base-Backbone interact. energy: 2.849
local terms energy: -353.603910
where:
bonds (distance) C4'-P energy: -59.362
bonds (distance) P-C4' energy: -73.649
flat angles C4'-P-C4' energy: -72.658
flat angles P-C4'-P energy: -45.629
tors. eta vs tors. theta energy: -102.306
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: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1010.680761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.680761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.680761 (E_RNA)
where:
Base-Base interactions energy: -677.208
where: short stacking energy: -284.906
Base-Backbone interact. energy: 0.568
local terms energy: -334.041176
where:
bonds (distance) C4'-P energy: -64.672
bonds (distance) P-C4' energy: -70.904
flat angles C4'-P-C4' energy: -73.862
flat angles P-C4'-P energy: -39.771
tors. eta vs tors. theta energy: -84.834
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: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -910.789696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.789696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.789696 (E_RNA)
where:
Base-Base interactions energy: -598.915
where: short stacking energy: -249.722
Base-Backbone interact. energy: 0.758
local terms energy: -312.632798
where:
bonds (distance) C4'-P energy: -60.992
bonds (distance) P-C4' energy: -67.434
flat angles C4'-P-C4' energy: -70.665
flat angles P-C4'-P energy: -48.565
tors. eta vs tors. theta energy: -64.977
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: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -906.239132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.239132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.239132 (E_RNA)
where:
Base-Base interactions energy: -599.759
where: short stacking energy: -273.404
Base-Backbone interact. energy: -1.253
local terms energy: -305.226541
where:
bonds (distance) C4'-P energy: -57.652
bonds (distance) P-C4' energy: -61.541
flat angles C4'-P-C4' energy: -66.100
flat angles P-C4'-P energy: -46.524
tors. eta vs tors. theta energy: -73.410
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: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -719.926941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.926941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.926941 (E_RNA)
where:
Base-Base interactions energy: -451.504
where: short stacking energy: -203.236
Base-Backbone interact. energy: 2.015
local terms energy: -270.438245
where:
bonds (distance) C4'-P energy: -62.965
bonds (distance) P-C4' energy: -52.335
flat angles C4'-P-C4' energy: -64.468
flat angles P-C4'-P energy: -45.578
tors. eta vs tors. theta energy: -45.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -586.436507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.436507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.436507 (E_RNA)
where:
Base-Base interactions energy: -335.142
where: short stacking energy: -178.181
Base-Backbone interact. energy: -2.075
local terms energy: -249.715300
where:
bonds (distance) C4'-P energy: -44.915
bonds (distance) P-C4' energy: -67.963
flat angles C4'-P-C4' energy: -67.491
flat angles P-C4'-P energy: -33.367
tors. eta vs tors. theta energy: -35.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.496 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -386.081155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.081155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.081155 (E_RNA)
where:
Base-Base interactions energy: -187.109
where: short stacking energy: -113.123
Base-Backbone interact. energy: -0.501
local terms energy: -198.471249
where:
bonds (distance) C4'-P energy: -62.229
bonds (distance) P-C4' energy: -59.231
flat angles C4'-P-C4' energy: -50.109
flat angles P-C4'-P energy: -23.590
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -401.826833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.826833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.826833 (E_RNA)
where:
Base-Base interactions energy: -200.230
where: short stacking energy: -109.822
Base-Backbone interact. energy: -2.340
local terms energy: -199.256650
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -57.345
flat angles C4'-P-C4' energy: -63.509
flat angles P-C4'-P energy: -24.695
tors. eta vs tors. theta energy: 0.746
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: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -281.810671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.810671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.810671 (E_RNA)
where:
Base-Base interactions energy: -99.484
where: short stacking energy: -69.410
Base-Backbone interact. energy: 0.286
local terms energy: -182.613215
where:
bonds (distance) C4'-P energy: -50.562
bonds (distance) P-C4' energy: -57.289
flat angles C4'-P-C4' energy: -60.787
flat angles P-C4'-P energy: -33.404
tors. eta vs tors. theta energy: 19.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1141.003691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.003691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.003691 (E_RNA)
where:
Base-Base interactions energy: -765.533
where: short stacking energy: -320.852
Base-Backbone interact. energy: -1.697
local terms energy: -373.773881
where:
bonds (distance) C4'-P energy: -77.583
bonds (distance) P-C4' energy: -65.724
flat angles C4'-P-C4' energy: -75.153
flat angles P-C4'-P energy: -52.451
tors. eta vs tors. theta energy: -102.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1113.066557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.066557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.066557 (E_RNA)
where:
Base-Base interactions energy: -734.906
where: short stacking energy: -303.981
Base-Backbone interact. energy: -1.483
local terms energy: -376.677240
where:
bonds (distance) C4'-P energy: -73.305
bonds (distance) P-C4' energy: -75.190
flat angles C4'-P-C4' energy: -76.267
flat angles P-C4'-P energy: -47.919
tors. eta vs tors. theta energy: -103.996
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: 269
Temperature: 1.000000
Total energy: -1042.977325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.977325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.977325 (E_RNA)
where:
Base-Base interactions energy: -715.052
where: short stacking energy: -306.662
Base-Backbone interact. energy: 1.764
local terms energy: -329.689560
where:
bonds (distance) C4'-P energy: -75.340
bonds (distance) P-C4' energy: -64.013
flat angles C4'-P-C4' energy: -68.481
flat angles P-C4'-P energy: -38.388
tors. eta vs tors. theta energy: -83.468
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: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -906.378955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.378955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.378955 (E_RNA)
where:
Base-Base interactions energy: -598.420
where: short stacking energy: -241.611
Base-Backbone interact. energy: -1.074
local terms energy: -306.948130
where:
bonds (distance) C4'-P energy: -62.825
bonds (distance) P-C4' energy: -61.753
flat angles C4'-P-C4' energy: -69.461
flat angles P-C4'-P energy: -51.508
tors. eta vs tors. theta energy: -61.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -871.175422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.175422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.175422 (E_RNA)
where:
Base-Base interactions energy: -572.524
where: short stacking energy: -252.565
Base-Backbone interact. energy: -1.005
local terms energy: -297.646086
where:
bonds (distance) C4'-P energy: -49.733
bonds (distance) P-C4' energy: -68.592
flat angles C4'-P-C4' energy: -63.935
flat angles P-C4'-P energy: -51.478
tors. eta vs tors. theta energy: -63.908
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: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -656.142364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.142364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.142364 (E_RNA)
where:
Base-Base interactions energy: -411.227
where: short stacking energy: -200.667
Base-Backbone interact. energy: -1.091
local terms energy: -243.824383
where:
bonds (distance) C4'-P energy: -61.042
bonds (distance) P-C4' energy: -53.383
flat angles C4'-P-C4' energy: -56.831
flat angles P-C4'-P energy: -39.925
tors. eta vs tors. theta energy: -32.643
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: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -568.211639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.211639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.211639 (E_RNA)
where:
Base-Base interactions energy: -340.393
where: short stacking energy: -165.035
Base-Backbone interact. energy: -2.267
local terms energy: -225.550823
where:
bonds (distance) C4'-P energy: -53.251
bonds (distance) P-C4' energy: -60.119
flat angles C4'-P-C4' energy: -57.552
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -408.671118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.671118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.671118 (E_RNA)
where:
Base-Base interactions energy: -195.368
where: short stacking energy: -103.337
Base-Backbone interact. energy: -0.780
local terms energy: -212.523521
where:
bonds (distance) C4'-P energy: -70.322
bonds (distance) P-C4' energy: -63.286
flat angles C4'-P-C4' energy: -52.120
flat angles P-C4'-P energy: -27.722
tors. eta vs tors. theta energy: 0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -390.305941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.305941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.305941 (E_RNA)
where:
Base-Base interactions energy: -191.033
where: short stacking energy: -91.685
Base-Backbone interact. energy: -2.317
local terms energy: -196.955451
where:
bonds (distance) C4'-P energy: -52.241
bonds (distance) P-C4' energy: -69.344
flat angles C4'-P-C4' energy: -49.078
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -268.179211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.179211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.179211 (E_RNA)
where:
Base-Base interactions energy: -68.915
where: short stacking energy: -49.458
Base-Backbone interact. energy: 1.580
local terms energy: -200.844674
where:
bonds (distance) C4'-P energy: -62.840
bonds (distance) P-C4' energy: -67.055
flat angles C4'-P-C4' energy: -52.016
flat angles P-C4'-P energy: -31.036
tors. eta vs tors. theta energy: 12.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1139.160652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.160652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.160652 (E_RNA)
where:
Base-Base interactions energy: -776.542
where: short stacking energy: -324.574
Base-Backbone interact. energy: -0.879
local terms energy: -362.191907
where:
bonds (distance) C4'-P energy: -66.372
bonds (distance) P-C4' energy: -68.463
flat angles C4'-P-C4' energy: -73.161
flat angles P-C4'-P energy: -52.171
tors. eta vs tors. theta energy: -102.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.452 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1093.483649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.483649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.483649 (E_RNA)
where:
Base-Base interactions energy: -739.180
where: short stacking energy: -312.118
Base-Backbone interact. energy: 0.623
local terms energy: -354.926424
where:
bonds (distance) C4'-P energy: -69.359
bonds (distance) P-C4' energy: -56.756
flat angles C4'-P-C4' energy: -76.491
flat angles P-C4'-P energy: -55.285
tors. eta vs tors. theta energy: -97.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1022.285032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.285032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.285032 (E_RNA)
where:
Base-Base interactions energy: -694.858
where: short stacking energy: -274.879
Base-Backbone interact. energy: -1.866
local terms energy: -325.560215
where:
bonds (distance) C4'-P energy: -54.573
bonds (distance) P-C4' energy: -60.398
flat angles C4'-P-C4' energy: -81.037
flat angles P-C4'-P energy: -52.444
tors. eta vs tors. theta energy: -77.108
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: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -917.775300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.775300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.775300 (E_RNA)
where:
Base-Base interactions energy: -602.747
where: short stacking energy: -271.643
Base-Backbone interact. energy: -1.127
local terms energy: -313.901635
where:
bonds (distance) C4'-P energy: -59.768
bonds (distance) P-C4' energy: -68.240
flat angles C4'-P-C4' energy: -64.043
flat angles P-C4'-P energy: -49.686
tors. eta vs tors. theta energy: -72.164
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: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -859.821824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.821824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.821824 (E_RNA)
where:
Base-Base interactions energy: -577.610
where: short stacking energy: -250.844
Base-Backbone interact. energy: -2.077
local terms energy: -280.134541
where:
bonds (distance) C4'-P energy: -61.963
bonds (distance) P-C4' energy: -58.865
flat angles C4'-P-C4' energy: -62.844
flat angles P-C4'-P energy: -37.884
tors. eta vs tors. theta energy: -58.577
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: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -695.162411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.162411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.162411 (E_RNA)
where:
Base-Base interactions energy: -421.729
where: short stacking energy: -195.606
Base-Backbone interact. energy: -2.082
local terms energy: -271.351309
where:
bonds (distance) C4'-P energy: -61.625
bonds (distance) P-C4' energy: -62.888
flat angles C4'-P-C4' energy: -55.748
flat angles P-C4'-P energy: -47.103
tors. eta vs tors. theta energy: -43.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -553.510917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.510917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.510917 (E_RNA)
where:
Base-Base interactions energy: -313.278
where: short stacking energy: -164.658
Base-Backbone interact. energy: 0.822
local terms energy: -242.903941
where:
bonds (distance) C4'-P energy: -51.925
bonds (distance) P-C4' energy: -66.282
flat angles C4'-P-C4' energy: -62.351
flat angles P-C4'-P energy: -36.538
tors. eta vs tors. theta energy: -25.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.850 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -455.940601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.940601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.940601 (E_RNA)
where:
Base-Base interactions energy: -222.320
where: short stacking energy: -124.743
Base-Backbone interact. energy: -0.747
local terms energy: -232.873877
where:
bonds (distance) C4'-P energy: -63.966
bonds (distance) P-C4' energy: -60.535
flat angles C4'-P-C4' energy: -60.217
flat angles P-C4'-P energy: -33.866
tors. eta vs tors. theta energy: -14.290
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: 270
Temperature: 1.300000
Total energy: -376.806864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.806864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.806864 (E_RNA)
where:
Base-Base interactions energy: -167.583
where: short stacking energy: -109.213
Base-Backbone interact. energy: -0.597
local terms energy: -208.626529
where:
bonds (distance) C4'-P energy: -51.950
bonds (distance) P-C4' energy: -49.888
flat angles C4'-P-C4' energy: -57.678
flat angles P-C4'-P energy: -29.732
tors. eta vs tors. theta energy: -19.380
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: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -276.167770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.167770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.167770 (E_RNA)
where:
Base-Base interactions energy: -75.450
where: short stacking energy: -65.099
Base-Backbone interact. energy: 2.464
local terms energy: -203.182102
where:
bonds (distance) C4'-P energy: -57.441
bonds (distance) P-C4' energy: -58.258
flat angles C4'-P-C4' energy: -63.701
flat angles P-C4'-P energy: -27.123
tors. eta vs tors. theta energy: 3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1118.495308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.495308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.495308 (E_RNA)
where:
Base-Base interactions energy: -758.634
where: short stacking energy: -315.516
Base-Backbone interact. energy: -1.981
local terms energy: -357.879970
where:
bonds (distance) C4'-P energy: -62.808
bonds (distance) P-C4' energy: -71.888
flat angles C4'-P-C4' energy: -73.980
flat angles P-C4'-P energy: -48.474
tors. eta vs tors. theta energy: -100.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1073.415072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.415072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.415072 (E_RNA)
where:
Base-Base interactions energy: -738.792
where: short stacking energy: -292.576
Base-Backbone interact. energy: -1.360
local terms energy: -333.263017
where:
bonds (distance) C4'-P energy: -60.770
bonds (distance) P-C4' energy: -69.086
flat angles C4'-P-C4' energy: -67.877
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -93.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -992.090159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.090159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.090159 (E_RNA)
where:
Base-Base interactions energy: -680.216
where: short stacking energy: -282.723
Base-Backbone interact. energy: -0.934
local terms energy: -310.940094
where:
bonds (distance) C4'-P energy: -65.040
bonds (distance) P-C4' energy: -70.897
flat angles C4'-P-C4' energy: -56.454
flat angles P-C4'-P energy: -38.162
tors. eta vs tors. theta energy: -80.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -963.134604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.134604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.134604 (E_RNA)
where:
Base-Base interactions energy: -663.251
where: short stacking energy: -278.893
Base-Backbone interact. energy: -0.315
local terms energy: -299.568355
where:
bonds (distance) C4'-P energy: -63.382
bonds (distance) P-C4' energy: -53.103
flat angles C4'-P-C4' energy: -55.583
flat angles P-C4'-P energy: -46.910
tors. eta vs tors. theta energy: -80.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -836.658481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.658481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.658481 (E_RNA)
where:
Base-Base interactions energy: -532.172
where: short stacking energy: -235.520
Base-Backbone interact. energy: 0.569
local terms energy: -305.055004
where:
bonds (distance) C4'-P energy: -57.500
bonds (distance) P-C4' energy: -63.466
flat angles C4'-P-C4' energy: -69.827
flat angles P-C4'-P energy: -50.750
tors. eta vs tors. theta energy: -63.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -672.302083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.302083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.302083 (E_RNA)
where:
Base-Base interactions energy: -403.385
where: short stacking energy: -206.174
Base-Backbone interact. energy: -0.110
local terms energy: -268.807480
where:
bonds (distance) C4'-P energy: -56.083
bonds (distance) P-C4' energy: -69.137
flat angles C4'-P-C4' energy: -62.372
flat angles P-C4'-P energy: -34.534
tors. eta vs tors. theta energy: -46.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -571.653909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.653909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.653909 (E_RNA)
where:
Base-Base interactions energy: -331.178
where: short stacking energy: -159.609
Base-Backbone interact. energy: -1.996
local terms energy: -238.479691
where:
bonds (distance) C4'-P energy: -54.814
bonds (distance) P-C4' energy: -68.170
flat angles C4'-P-C4' energy: -56.288
flat angles P-C4'-P energy: -30.102
tors. eta vs tors. theta energy: -29.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -430.620466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.620466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.620466 (E_RNA)
where:
Base-Base interactions energy: -235.882
where: short stacking energy: -115.003
Base-Backbone interact. energy: 0.825
local terms energy: -195.564037
where:
bonds (distance) C4'-P energy: -52.195
bonds (distance) P-C4' energy: -45.473
flat angles C4'-P-C4' energy: -59.418
flat angles P-C4'-P energy: -31.135
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: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -362.786056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.786056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.786056 (E_RNA)
where:
Base-Base interactions energy: -176.496
where: short stacking energy: -93.316
Base-Backbone interact. energy: -4.111
local terms energy: -182.179241
where:
bonds (distance) C4'-P energy: -53.545
bonds (distance) P-C4' energy: -55.773
flat angles C4'-P-C4' energy: -51.477
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: 3.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -274.351871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.351871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.351871 (E_RNA)
where:
Base-Base interactions energy: -102.966
where: short stacking energy: -61.417
Base-Backbone interact. energy: -1.567
local terms energy: -169.819445
where:
bonds (distance) C4'-P energy: -46.103
bonds (distance) P-C4' energy: -58.953
flat angles C4'-P-C4' energy: -46.924
flat angles P-C4'-P energy: -28.895
tors. eta vs tors. theta energy: 11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1127.775524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.775524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.775524 (E_RNA)
where:
Base-Base interactions energy: -758.996
where: short stacking energy: -315.603
Base-Backbone interact. energy: -0.578
local terms energy: -368.490852
where:
bonds (distance) C4'-P energy: -69.764
bonds (distance) P-C4' energy: -73.668
flat angles C4'-P-C4' energy: -71.071
flat angles P-C4'-P energy: -49.172
tors. eta vs tors. theta energy: -104.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.289 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1081.201399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.201399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.201399 (E_RNA)
where:
Base-Base interactions energy: -741.755
where: short stacking energy: -305.230
Base-Backbone interact. energy: 2.520
local terms energy: -341.967020
where:
bonds (distance) C4'-P energy: -62.221
bonds (distance) P-C4' energy: -65.663
flat angles C4'-P-C4' energy: -74.737
flat angles P-C4'-P energy: -50.515
tors. eta vs tors. theta energy: -88.832
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: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1014.981191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.981191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.981191 (E_RNA)
where:
Base-Base interactions energy: -686.333
where: short stacking energy: -287.498
Base-Backbone interact. energy: -2.473
local terms energy: -326.175076
where:
bonds (distance) C4'-P energy: -60.944
bonds (distance) P-C4' energy: -58.434
flat angles C4'-P-C4' energy: -68.497
flat angles P-C4'-P energy: -49.668
tors. eta vs tors. theta energy: -88.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -900.056759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.056759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.056759 (E_RNA)
where:
Base-Base interactions energy: -586.903
where: short stacking energy: -248.522
Base-Backbone interact. energy: -0.546
local terms energy: -312.608150
where:
bonds (distance) C4'-P energy: -61.231
bonds (distance) P-C4' energy: -63.642
flat angles C4'-P-C4' energy: -68.444
flat angles P-C4'-P energy: -45.454
tors. eta vs tors. theta energy: -73.837
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: 272
Temperature: 1.100000
Total energy: -835.314958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.314958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.314958 (E_RNA)
where:
Base-Base interactions energy: -548.753
where: short stacking energy: -256.603
Base-Backbone interact. energy: -1.050
local terms energy: -285.511884
where:
bonds (distance) C4'-P energy: -60.069
bonds (distance) P-C4' energy: -49.827
flat angles C4'-P-C4' energy: -60.973
flat angles P-C4'-P energy: -46.119
tors. eta vs tors. theta energy: -68.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -679.074417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.074417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.074417 (E_RNA)
where:
Base-Base interactions energy: -395.023
where: short stacking energy: -162.059
Base-Backbone interact. energy: -1.698
local terms energy: -282.353259
where:
bonds (distance) C4'-P energy: -56.199
bonds (distance) P-C4' energy: -73.841
flat angles C4'-P-C4' energy: -67.755
flat angles P-C4'-P energy: -44.068
tors. eta vs tors. theta energy: -40.490
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: 272
Temperature: 1.200000
Total energy: -623.537645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.537645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.537645 (E_RNA)
where:
Base-Base interactions energy: -362.733
where: short stacking energy: -184.520
Base-Backbone interact. energy: 1.281
local terms energy: -263.453058
where:
bonds (distance) C4'-P energy: -59.315
bonds (distance) P-C4' energy: -58.238
flat angles C4'-P-C4' energy: -70.635
flat angles P-C4'-P energy: -33.245
tors. eta vs tors. theta energy: -42.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.368 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -463.207146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.207146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.207146 (E_RNA)
where:
Base-Base interactions energy: -245.009
where: short stacking energy: -146.030
Base-Backbone interact. energy: -1.106
local terms energy: -218.612008
where:
bonds (distance) C4'-P energy: -51.526
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -68.474
flat angles P-C4'-P energy: -30.575
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.520 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -410.832824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.832824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.832824 (E_RNA)
where:
Base-Base interactions energy: -208.864
where: short stacking energy: -96.598
Base-Backbone interact. energy: 0.601
local terms energy: -202.569469
where:
bonds (distance) C4'-P energy: -60.358
bonds (distance) P-C4' energy: -56.827
flat angles C4'-P-C4' energy: -52.695
flat angles P-C4'-P energy: -29.525
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -306.628962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.628962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.628962 (E_RNA)
where:
Base-Base interactions energy: -106.579
where: short stacking energy: -103.520
Base-Backbone interact. energy: -0.244
local terms energy: -199.805589
where:
bonds (distance) C4'-P energy: -43.666
bonds (distance) P-C4' energy: -52.667
flat angles C4'-P-C4' energy: -61.852
flat angles P-C4'-P energy: -38.487
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: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1142.043604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.043604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.043604 (E_RNA)
where:
Base-Base interactions energy: -753.000
where: short stacking energy: -314.008
Base-Backbone interact. energy: -0.594
local terms energy: -388.449032
where:
bonds (distance) C4'-P energy: -70.866
bonds (distance) P-C4' energy: -71.007
flat angles C4'-P-C4' energy: -76.289
flat angles P-C4'-P energy: -62.004
tors. eta vs tors. theta energy: -108.284
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: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1096.961155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.961155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.961155 (E_RNA)
where:
Base-Base interactions energy: -735.777
where: short stacking energy: -302.180
Base-Backbone interact. energy: -0.785
local terms energy: -360.399180
where:
bonds (distance) C4'-P energy: -67.707
bonds (distance) P-C4' energy: -63.118
flat angles C4'-P-C4' energy: -78.586
flat angles P-C4'-P energy: -58.620
tors. eta vs tors. theta energy: -92.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -965.417068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.417068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.417068 (E_RNA)
where:
Base-Base interactions energy: -641.534
where: short stacking energy: -278.743
Base-Backbone interact. energy: 3.196
local terms energy: -327.079583
where:
bonds (distance) C4'-P energy: -71.031
bonds (distance) P-C4' energy: -68.603
flat angles C4'-P-C4' energy: -62.039
flat angles P-C4'-P energy: -48.826
tors. eta vs tors. theta energy: -76.580
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: 273
Temperature: 1.050000
Total energy: -889.812547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.812547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.812547 (E_RNA)
where:
Base-Base interactions energy: -593.127
where: short stacking energy: -250.553
Base-Backbone interact. energy: -0.375
local terms energy: -296.311091
where:
bonds (distance) C4'-P energy: -53.031
bonds (distance) P-C4' energy: -59.864
flat angles C4'-P-C4' energy: -74.011
flat angles P-C4'-P energy: -39.097
tors. eta vs tors. theta energy: -70.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -827.591498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.591498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.591498 (E_RNA)
where:
Base-Base interactions energy: -521.592
where: short stacking energy: -254.467
Base-Backbone interact. energy: -0.699
local terms energy: -305.300932
where:
bonds (distance) C4'-P energy: -62.449
bonds (distance) P-C4' energy: -58.020
flat angles C4'-P-C4' energy: -69.079
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -77.219
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: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -643.704631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.704631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.704631 (E_RNA)
where:
Base-Base interactions energy: -369.654
where: short stacking energy: -174.604
Base-Backbone interact. energy: -2.559
local terms energy: -271.492378
where:
bonds (distance) C4'-P energy: -58.516
bonds (distance) P-C4' energy: -65.263
flat angles C4'-P-C4' energy: -69.647
flat angles P-C4'-P energy: -38.550
tors. eta vs tors. theta energy: -39.517
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: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -683.768258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.768258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.768258 (E_RNA)
where:
Base-Base interactions energy: -413.535
where: short stacking energy: -197.834
Base-Backbone interact. energy: -0.325
local terms energy: -269.908635
where:
bonds (distance) C4'-P energy: -62.886
bonds (distance) P-C4' energy: -67.658
flat angles C4'-P-C4' energy: -54.107
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: -53.473
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: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -432.860649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.860649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.860649 (E_RNA)
where:
Base-Base interactions energy: -215.326
where: short stacking energy: -121.193
Base-Backbone interact. energy: -0.508
local terms energy: -217.026147
where:
bonds (distance) C4'-P energy: -55.759
bonds (distance) P-C4' energy: -55.825
flat angles C4'-P-C4' energy: -51.135
flat angles P-C4'-P energy: -33.869
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -395.949335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.949335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.949335 (E_RNA)
where:
Base-Base interactions energy: -197.341
where: short stacking energy: -108.394
Base-Backbone interact. energy: -0.029
local terms energy: -198.579758
where:
bonds (distance) C4'-P energy: -56.029
bonds (distance) P-C4' energy: -58.524
flat angles C4'-P-C4' energy: -56.043
flat angles P-C4'-P energy: -27.122
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -289.585158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.585158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.585158 (E_RNA)
where:
Base-Base interactions energy: -119.831
where: short stacking energy: -98.678
Base-Backbone interact. energy: 1.017
local terms energy: -171.659803
where:
bonds (distance) C4'-P energy: -44.172
bonds (distance) P-C4' energy: -66.845
flat angles C4'-P-C4' energy: -34.444
flat angles P-C4'-P energy: -27.927
tors. eta vs tors. theta energy: 1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.889 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1139.101799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.101799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.101799 (E_RNA)
where:
Base-Base interactions energy: -776.094
where: short stacking energy: -311.972
Base-Backbone interact. energy: 0.157
local terms energy: -363.344753
where:
bonds (distance) C4'-P energy: -62.219
bonds (distance) P-C4' energy: -73.239
flat angles C4'-P-C4' energy: -74.650
flat angles P-C4'-P energy: -50.397
tors. eta vs tors. theta energy: -102.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.179 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1088.268373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.268373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.268373 (E_RNA)
where:
Base-Base interactions energy: -722.954
where: short stacking energy: -308.378
Base-Backbone interact. energy: -1.716
local terms energy: -363.597580
where:
bonds (distance) C4'-P energy: -57.530
bonds (distance) P-C4' energy: -76.741
flat angles C4'-P-C4' energy: -80.662
flat angles P-C4'-P energy: -49.242
tors. eta vs tors. theta energy: -99.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1026.894428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.894428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.894428 (E_RNA)
where:
Base-Base interactions energy: -700.057
where: short stacking energy: -308.718
Base-Backbone interact. energy: 0.524
local terms energy: -327.361098
where:
bonds (distance) C4'-P energy: -65.578
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -72.273
flat angles P-C4'-P energy: -42.131
tors. eta vs tors. theta energy: -95.723
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: 274
Temperature: 1.050000
Total energy: -911.429318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.429318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.429318 (E_RNA)
where:
Base-Base interactions energy: -602.450
where: short stacking energy: -269.820
Base-Backbone interact. energy: 1.064
local terms energy: -310.043602
where:
bonds (distance) C4'-P energy: -68.414
bonds (distance) P-C4' energy: -64.381
flat angles C4'-P-C4' energy: -64.360
flat angles P-C4'-P energy: -36.227
tors. eta vs tors. theta energy: -76.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -834.826570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.826570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.826570 (E_RNA)
where:
Base-Base interactions energy: -543.014
where: short stacking energy: -257.736
Base-Backbone interact. energy: 1.825
local terms energy: -293.637620
where:
bonds (distance) C4'-P energy: -63.402
bonds (distance) P-C4' energy: -61.339
flat angles C4'-P-C4' energy: -67.619
flat angles P-C4'-P energy: -34.242
tors. eta vs tors. theta energy: -67.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -645.488746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.488746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.488746 (E_RNA)
where:
Base-Base interactions energy: -373.862
where: short stacking energy: -175.360
Base-Backbone interact. energy: -2.092
local terms energy: -269.534470
where:
bonds (distance) C4'-P energy: -60.954
bonds (distance) P-C4' energy: -53.756
flat angles C4'-P-C4' energy: -67.940
flat angles P-C4'-P energy: -40.889
tors. eta vs tors. theta energy: -45.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -653.385690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.385690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.385690 (E_RNA)
where:
Base-Base interactions energy: -403.856
where: short stacking energy: -170.635
Base-Backbone interact. energy: -0.126
local terms energy: -249.404146
where:
bonds (distance) C4'-P energy: -68.990
bonds (distance) P-C4' energy: -60.908
flat angles C4'-P-C4' energy: -52.098
flat angles P-C4'-P energy: -36.678
tors. eta vs tors. theta energy: -30.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -404.312161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.312161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.312161 (E_RNA)
where:
Base-Base interactions energy: -195.676
where: short stacking energy: -114.372
Base-Backbone interact. energy: -0.658
local terms energy: -207.979093
where:
bonds (distance) C4'-P energy: -55.554
bonds (distance) P-C4' energy: -55.563
flat angles C4'-P-C4' energy: -50.572
flat angles P-C4'-P energy: -38.771
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -307.419893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.419893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.419893 (E_RNA)
where:
Base-Base interactions energy: -123.772
where: short stacking energy: -81.437
Base-Backbone interact. energy: -0.828
local terms energy: -183.448461
where:
bonds (distance) C4'-P energy: -40.863
bonds (distance) P-C4' energy: -69.309
flat angles C4'-P-C4' energy: -40.278
flat angles P-C4'-P energy: -37.515
tors. eta vs tors. theta energy: 4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.629 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -382.461717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.461717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.461717 (E_RNA)
where:
Base-Base interactions energy: -177.180
where: short stacking energy: -106.991
Base-Backbone interact. energy: -0.875
local terms energy: -204.406287
where:
bonds (distance) C4'-P energy: -54.347
bonds (distance) P-C4' energy: -64.787
flat angles C4'-P-C4' energy: -46.596
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1136.625958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.625958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.625958 (E_RNA)
where:
Base-Base interactions energy: -784.801
where: short stacking energy: -330.129
Base-Backbone interact. energy: -0.318
local terms energy: -351.677199
where:
bonds (distance) C4'-P energy: -61.557
bonds (distance) P-C4' energy: -66.716
flat angles C4'-P-C4' energy: -76.032
flat angles P-C4'-P energy: -54.291
tors. eta vs tors. theta energy: -93.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.170 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1077.716619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.716619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.716619 (E_RNA)
where:
Base-Base interactions energy: -738.554
where: short stacking energy: -306.469
Base-Backbone interact. energy: -1.078
local terms energy: -338.085105
where:
bonds (distance) C4'-P energy: -60.159
bonds (distance) P-C4' energy: -58.982
flat angles C4'-P-C4' energy: -68.271
flat angles P-C4'-P energy: -54.442
tors. eta vs tors. theta energy: -96.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1031.221777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.221777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.221777 (E_RNA)
where:
Base-Base interactions energy: -679.144
where: short stacking energy: -280.098
Base-Backbone interact. energy: 0.294
local terms energy: -352.371843
where:
bonds (distance) C4'-P energy: -75.674
bonds (distance) P-C4' energy: -66.367
flat angles C4'-P-C4' energy: -75.411
flat angles P-C4'-P energy: -52.014
tors. eta vs tors. theta energy: -82.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -931.862656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.862656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.862656 (E_RNA)
where:
Base-Base interactions energy: -622.390
where: short stacking energy: -273.284
Base-Backbone interact. energy: 0.719
local terms energy: -310.191563
where:
bonds (distance) C4'-P energy: -58.535
bonds (distance) P-C4' energy: -76.562
flat angles C4'-P-C4' energy: -52.268
flat angles P-C4'-P energy: -38.146
tors. eta vs tors. theta energy: -84.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -833.416630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.416630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.416630 (E_RNA)
where:
Base-Base interactions energy: -533.671
where: short stacking energy: -258.984
Base-Backbone interact. energy: -0.689
local terms energy: -299.056676
where:
bonds (distance) C4'-P energy: -61.637
bonds (distance) P-C4' energy: -48.360
flat angles C4'-P-C4' energy: -74.649
flat angles P-C4'-P energy: -47.074
tors. eta vs tors. theta energy: -67.336
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: 275
Temperature: 1.150000
Total energy: -708.034988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.034988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.034988 (E_RNA)
where:
Base-Base interactions energy: -436.849
where: short stacking energy: -216.278
Base-Backbone interact. energy: -0.103
local terms energy: -271.082840
where:
bonds (distance) C4'-P energy: -63.095
bonds (distance) P-C4' energy: -57.777
flat angles C4'-P-C4' energy: -53.558
flat angles P-C4'-P energy: -42.277
tors. eta vs tors. theta energy: -54.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -580.071596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.071596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.071596 (E_RNA)
where:
Base-Base interactions energy: -348.013
where: short stacking energy: -168.170
Base-Backbone interact. energy: 3.695
local terms energy: -235.753123
where:
bonds (distance) C4'-P energy: -56.064
bonds (distance) P-C4' energy: -51.928
flat angles C4'-P-C4' energy: -54.261
flat angles P-C4'-P energy: -45.489
tors. eta vs tors. theta energy: -28.010
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: 8, replica: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -422.400395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.400395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.400395 (E_RNA)
where:
Base-Base interactions energy: -216.205
where: short stacking energy: -118.765
Base-Backbone interact. energy: 0.905
local terms energy: -207.100772
where:
bonds (distance) C4'-P energy: -43.849
bonds (distance) P-C4' energy: -61.993
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -36.023
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -344.857403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.857403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.857403 (E_RNA)
where:
Base-Base interactions energy: -158.357
where: short stacking energy: -114.561
Base-Backbone interact. energy: -1.134
local terms energy: -185.366120
where:
bonds (distance) C4'-P energy: -42.866
bonds (distance) P-C4' energy: -59.817
flat angles C4'-P-C4' energy: -52.122
flat angles P-C4'-P energy: -33.943
tors. eta vs tors. theta energy: 3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -348.907935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.907935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.907935 (E_RNA)
where:
Base-Base interactions energy: -161.016
where: short stacking energy: -82.580
Base-Backbone interact. energy: -1.713
local terms energy: -186.179237
where:
bonds (distance) C4'-P energy: -56.867
bonds (distance) P-C4' energy: -54.512
flat angles C4'-P-C4' energy: -43.290
flat angles P-C4'-P energy: -37.727
tors. eta vs tors. theta energy: 6.216
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: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1158.437549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.437549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.437549 (E_RNA)
where:
Base-Base interactions energy: -801.926
where: short stacking energy: -323.341
Base-Backbone interact. energy: 0.230
local terms energy: -356.740936
where:
bonds (distance) C4'-P energy: -64.550
bonds (distance) P-C4' energy: -61.595
flat angles C4'-P-C4' energy: -77.711
flat angles P-C4'-P energy: -49.085
tors. eta vs tors. theta energy: -103.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1087.102558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.102558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.102558 (E_RNA)
where:
Base-Base interactions energy: -727.018
where: short stacking energy: -329.284
Base-Backbone interact. energy: -0.013
local terms energy: -360.071563
where:
bonds (distance) C4'-P energy: -74.846
bonds (distance) P-C4' energy: -55.629
flat angles C4'-P-C4' energy: -73.893
flat angles P-C4'-P energy: -51.239
tors. eta vs tors. theta energy: -104.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1014.177800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.177800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.177800 (E_RNA)
where:
Base-Base interactions energy: -675.278
where: short stacking energy: -280.957
Base-Backbone interact. energy: -0.790
local terms energy: -338.110188
where:
bonds (distance) C4'-P energy: -68.414
bonds (distance) P-C4' energy: -70.345
flat angles C4'-P-C4' energy: -65.859
flat angles P-C4'-P energy: -45.623
tors. eta vs tors. theta energy: -87.868
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: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -924.898639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.898639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.898639 (E_RNA)
where:
Base-Base interactions energy: -601.693
where: short stacking energy: -263.133
Base-Backbone interact. energy: -1.674
local terms energy: -321.531738
where:
bonds (distance) C4'-P energy: -71.364
bonds (distance) P-C4' energy: -72.775
flat angles C4'-P-C4' energy: -58.351
flat angles P-C4'-P energy: -42.349
tors. eta vs tors. theta energy: -76.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -814.854946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.854946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.854946 (E_RNA)
where:
Base-Base interactions energy: -514.769
where: short stacking energy: -245.401
Base-Backbone interact. energy: -0.860
local terms energy: -299.225924
where:
bonds (distance) C4'-P energy: -57.947
bonds (distance) P-C4' energy: -66.693
flat angles C4'-P-C4' energy: -62.213
flat angles P-C4'-P energy: -40.830
tors. eta vs tors. theta energy: -71.544
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: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -696.355969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.355969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.355969 (E_RNA)
where:
Base-Base interactions energy: -454.832
where: short stacking energy: -199.123
Base-Backbone interact. energy: 1.000
local terms energy: -242.524146
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -50.554
flat angles C4'-P-C4' energy: -69.225
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -39.919
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: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -576.578388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.578388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.578388 (E_RNA)
where:
Base-Base interactions energy: -339.107
where: short stacking energy: -159.708
Base-Backbone interact. energy: 0.549
local terms energy: -238.019955
where:
bonds (distance) C4'-P energy: -59.361
bonds (distance) P-C4' energy: -58.455
flat angles C4'-P-C4' energy: -56.762
flat angles P-C4'-P energy: -45.663
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -382.862759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.862759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.862759 (E_RNA)
where:
Base-Base interactions energy: -193.603
where: short stacking energy: -111.092
Base-Backbone interact. energy: 1.543
local terms energy: -190.802864
where:
bonds (distance) C4'-P energy: -52.055
bonds (distance) P-C4' energy: -58.924
flat angles C4'-P-C4' energy: -49.629
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -360.478443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.478443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.478443 (E_RNA)
where:
Base-Base interactions energy: -181.153
where: short stacking energy: -97.042
Base-Backbone interact. energy: 1.293
local terms energy: -180.618917
where:
bonds (distance) C4'-P energy: -52.644
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -44.905
flat angles P-C4'-P energy: -30.769
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -332.928641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.928641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.928641 (E_RNA)
where:
Base-Base interactions energy: -166.338
where: short stacking energy: -96.358
Base-Backbone interact. energy: -0.151
local terms energy: -166.439569
where:
bonds (distance) C4'-P energy: -49.667
bonds (distance) P-C4' energy: -56.010
flat angles C4'-P-C4' energy: -42.806
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1140.852251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.852251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.852251 (E_RNA)
where:
Base-Base interactions energy: -769.061
where: short stacking energy: -323.788
Base-Backbone interact. energy: -1.180
local terms energy: -370.611148
where:
bonds (distance) C4'-P energy: -67.290
bonds (distance) P-C4' energy: -69.239
flat angles C4'-P-C4' energy: -85.556
flat angles P-C4'-P energy: -46.118
tors. eta vs tors. theta energy: -102.409
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: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1120.242133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.242133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.242133 (E_RNA)
where:
Base-Base interactions energy: -749.883
where: short stacking energy: -315.939
Base-Backbone interact. energy: 3.061
local terms energy: -373.420017
where:
bonds (distance) C4'-P energy: -66.916
bonds (distance) P-C4' energy: -74.974
flat angles C4'-P-C4' energy: -78.465
flat angles P-C4'-P energy: -51.082
tors. eta vs tors. theta energy: -101.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1001.291589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.291589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.291589 (E_RNA)
where:
Base-Base interactions energy: -673.445
where: short stacking energy: -270.499
Base-Backbone interact. energy: -1.589
local terms energy: -326.257037
where:
bonds (distance) C4'-P energy: -63.033
bonds (distance) P-C4' energy: -66.615
flat angles C4'-P-C4' energy: -68.114
flat angles P-C4'-P energy: -44.369
tors. eta vs tors. theta energy: -84.126
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: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -929.722236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.722236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.722236 (E_RNA)
where:
Base-Base interactions energy: -606.849
where: short stacking energy: -280.738
Base-Backbone interact. energy: -0.492
local terms energy: -322.381778
where:
bonds (distance) C4'-P energy: -64.858
bonds (distance) P-C4' energy: -59.061
flat angles C4'-P-C4' energy: -61.891
flat angles P-C4'-P energy: -55.769
tors. eta vs tors. theta energy: -80.803
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: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -841.226033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.226033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.226033 (E_RNA)
where:
Base-Base interactions energy: -522.546
where: short stacking energy: -253.030
Base-Backbone interact. energy: 0.634
local terms energy: -319.314553
where:
bonds (distance) C4'-P energy: -60.366
bonds (distance) P-C4' energy: -65.047
flat angles C4'-P-C4' energy: -69.681
flat angles P-C4'-P energy: -51.345
tors. eta vs tors. theta energy: -72.876
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: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -706.182274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.182274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.182274 (E_RNA)
where:
Base-Base interactions energy: -456.155
where: short stacking energy: -218.073
Base-Backbone interact. energy: 2.145
local terms energy: -252.172572
where:
bonds (distance) C4'-P energy: -52.993
bonds (distance) P-C4' energy: -51.405
flat angles C4'-P-C4' energy: -63.035
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -48.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -725.562848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.562848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.562848 (E_RNA)
where:
Base-Base interactions energy: -466.800
where: short stacking energy: -224.154
Base-Backbone interact. energy: -1.124
local terms energy: -257.638272
where:
bonds (distance) C4'-P energy: -52.723
bonds (distance) P-C4' energy: -52.875
flat angles C4'-P-C4' energy: -58.935
flat angles P-C4'-P energy: -39.620
tors. eta vs tors. theta energy: -53.485
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: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -427.164645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.164645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.164645 (E_RNA)
where:
Base-Base interactions energy: -217.910
where: short stacking energy: -134.139
Base-Backbone interact. energy: -0.377
local terms energy: -210.798079
where:
bonds (distance) C4'-P energy: -45.548
bonds (distance) P-C4' energy: -62.597
flat angles C4'-P-C4' energy: -45.741
flat angles P-C4'-P energy: -37.956
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.920 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -387.647355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.647355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.647355 (E_RNA)
where:
Base-Base interactions energy: -189.768
where: short stacking energy: -109.549
Base-Backbone interact. energy: 0.143
local terms energy: -198.022551
where:
bonds (distance) C4'-P energy: -59.144
bonds (distance) P-C4' energy: -57.148
flat angles C4'-P-C4' energy: -50.536
flat angles P-C4'-P energy: -36.712
tors. eta vs tors. theta energy: 5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -351.232935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.232935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.232935 (E_RNA)
where:
Base-Base interactions energy: -154.066
where: short stacking energy: -95.135
Base-Backbone interact. energy: -1.257
local terms energy: -195.910044
where:
bonds (distance) C4'-P energy: -44.519
bonds (distance) P-C4' energy: -50.074
flat angles C4'-P-C4' energy: -61.423
flat angles P-C4'-P energy: -37.609
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1118.957093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.957093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.957093 (E_RNA)
where:
Base-Base interactions energy: -760.655
where: short stacking energy: -321.385
Base-Backbone interact. energy: -1.459
local terms energy: -356.843154
where:
bonds (distance) C4'-P energy: -58.815
bonds (distance) P-C4' energy: -68.560
flat angles C4'-P-C4' energy: -71.900
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: -101.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1097.199570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.199570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.199570 (E_RNA)
where:
Base-Base interactions energy: -759.583
where: short stacking energy: -329.823
Base-Backbone interact. energy: -0.214
local terms energy: -338.784300
where:
bonds (distance) C4'-P energy: -68.714
bonds (distance) P-C4' energy: -59.022
flat angles C4'-P-C4' energy: -68.476
flat angles P-C4'-P energy: -44.587
tors. eta vs tors. theta energy: -97.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.382 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -977.933646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.933646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.933646 (E_RNA)
where:
Base-Base interactions energy: -651.019
where: short stacking energy: -276.184
Base-Backbone interact. energy: -3.227
local terms energy: -323.687555
where:
bonds (distance) C4'-P energy: -67.474
bonds (distance) P-C4' energy: -56.063
flat angles C4'-P-C4' energy: -68.883
flat angles P-C4'-P energy: -47.759
tors. eta vs tors. theta energy: -83.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -936.039734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.039734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.039734 (E_RNA)
where:
Base-Base interactions energy: -636.897
where: short stacking energy: -252.934
Base-Backbone interact. energy: -1.393
local terms energy: -297.749640
where:
bonds (distance) C4'-P energy: -62.224
bonds (distance) P-C4' energy: -60.571
flat angles C4'-P-C4' energy: -64.697
flat angles P-C4'-P energy: -37.339
tors. eta vs tors. theta energy: -72.918
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: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -802.161863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.161863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.161863 (E_RNA)
where:
Base-Base interactions energy: -529.252
where: short stacking energy: -235.909
Base-Backbone interact. energy: -0.383
local terms energy: -272.526289
where:
bonds (distance) C4'-P energy: -51.511
bonds (distance) P-C4' energy: -55.372
flat angles C4'-P-C4' energy: -66.179
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: -60.317
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: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -738.360100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.360100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.360100 (E_RNA)
where:
Base-Base interactions energy: -436.413
where: short stacking energy: -212.511
Base-Backbone interact. energy: -0.547
local terms energy: -301.399536
where:
bonds (distance) C4'-P energy: -54.885
bonds (distance) P-C4' energy: -69.975
flat angles C4'-P-C4' energy: -73.298
flat angles P-C4'-P energy: -48.430
tors. eta vs tors. theta energy: -54.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -678.111155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.111155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.111155 (E_RNA)
where:
Base-Base interactions energy: -429.472
where: short stacking energy: -175.737
Base-Backbone interact. energy: -1.510
local terms energy: -247.129147
where:
bonds (distance) C4'-P energy: -59.936
bonds (distance) P-C4' energy: -62.191
flat angles C4'-P-C4' energy: -63.907
flat angles P-C4'-P energy: -30.737
tors. eta vs tors. theta energy: -30.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -423.340840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.340840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.340840 (E_RNA)
where:
Base-Base interactions energy: -229.726
where: short stacking energy: -118.999
Base-Backbone interact. energy: -1.151
local terms energy: -192.463365
where:
bonds (distance) C4'-P energy: -45.766
bonds (distance) P-C4' energy: -66.508
flat angles C4'-P-C4' energy: -50.782
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -350.649971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.649971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.649971 (E_RNA)
where:
Base-Base interactions energy: -157.662
where: short stacking energy: -97.464
Base-Backbone interact. energy: 7.754
local terms energy: -200.742610
where:
bonds (distance) C4'-P energy: -55.345
bonds (distance) P-C4' energy: -52.135
flat angles C4'-P-C4' energy: -46.927
flat angles P-C4'-P energy: -44.575
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -318.050417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.050417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.050417 (E_RNA)
where:
Base-Base interactions energy: -122.337
where: short stacking energy: -80.936
Base-Backbone interact. energy: 0.128
local terms energy: -195.841387
where:
bonds (distance) C4'-P energy: -51.777
bonds (distance) P-C4' energy: -67.454
flat angles C4'-P-C4' energy: -48.463
flat angles P-C4'-P energy: -29.097
tors. eta vs tors. theta energy: 0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1139.796247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.796247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.796247 (E_RNA)
where:
Base-Base interactions energy: -780.286
where: short stacking energy: -317.175
Base-Backbone interact. energy: -0.480
local terms energy: -359.029974
where:
bonds (distance) C4'-P energy: -57.599
bonds (distance) P-C4' energy: -66.291
flat angles C4'-P-C4' energy: -76.827
flat angles P-C4'-P energy: -54.578
tors. eta vs tors. theta energy: -103.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1122.108732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.108732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.108732 (E_RNA)
where:
Base-Base interactions energy: -776.186
where: short stacking energy: -301.566
Base-Backbone interact. energy: 0.291
local terms energy: -346.319033
where:
bonds (distance) C4'-P energy: -63.887
bonds (distance) P-C4' energy: -69.162
flat angles C4'-P-C4' energy: -73.671
flat angles P-C4'-P energy: -49.266
tors. eta vs tors. theta energy: -90.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.105 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -977.298868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.298868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.298868 (E_RNA)
where:
Base-Base interactions energy: -643.613
where: short stacking energy: -279.528
Base-Backbone interact. energy: -0.763
local terms energy: -332.923237
where:
bonds (distance) C4'-P energy: -69.047
bonds (distance) P-C4' energy: -61.959
flat angles C4'-P-C4' energy: -71.483
flat angles P-C4'-P energy: -49.382
tors. eta vs tors. theta energy: -81.052
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: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -939.884176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.884176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.884176 (E_RNA)
where:
Base-Base interactions energy: -617.543
where: short stacking energy: -264.278
Base-Backbone interact. energy: -2.671
local terms energy: -319.669406
where:
bonds (distance) C4'-P energy: -62.325
bonds (distance) P-C4' energy: -67.951
flat angles C4'-P-C4' energy: -65.403
flat angles P-C4'-P energy: -44.786
tors. eta vs tors. theta energy: -79.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -782.591790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.591790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.591790 (E_RNA)
where:
Base-Base interactions energy: -517.503
where: short stacking energy: -217.649
Base-Backbone interact. energy: -0.571
local terms energy: -264.517585
where:
bonds (distance) C4'-P energy: -59.054
bonds (distance) P-C4' energy: -50.401
flat angles C4'-P-C4' energy: -56.808
flat angles P-C4'-P energy: -40.015
tors. eta vs tors. theta energy: -58.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -714.307590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.307590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.307590 (E_RNA)
where:
Base-Base interactions energy: -436.862
where: short stacking energy: -193.954
Base-Backbone interact. energy: -1.259
local terms energy: -276.186520
where:
bonds (distance) C4'-P energy: -59.877
bonds (distance) P-C4' energy: -64.409
flat angles C4'-P-C4' energy: -65.793
flat angles P-C4'-P energy: -42.149
tors. eta vs tors. theta energy: -43.959
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: 7, replica: 3
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -703.665804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.665804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.665804 (E_RNA)
where:
Base-Base interactions energy: -460.626
where: short stacking energy: -199.544
Base-Backbone interact. energy: -2.498
local terms energy: -240.664933
where:
bonds (distance) C4'-P energy: -45.375
bonds (distance) P-C4' energy: -44.822
flat angles C4'-P-C4' energy: -63.355
flat angles P-C4'-P energy: -40.529
tors. eta vs tors. theta energy: -46.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.122 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -416.663956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.663956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.663956 (E_RNA)
where:
Base-Base interactions energy: -206.026
where: short stacking energy: -123.564
Base-Backbone interact. energy: -0.407
local terms energy: -210.230838
where:
bonds (distance) C4'-P energy: -61.046
bonds (distance) P-C4' energy: -62.032
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -40.459
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -314.366872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.366872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.366872 (E_RNA)
where:
Base-Base interactions energy: -158.589
where: short stacking energy: -99.582
Base-Backbone interact. energy: -1.572
local terms energy: -154.205683
where:
bonds (distance) C4'-P energy: -53.499
bonds (distance) P-C4' energy: -49.962
flat angles C4'-P-C4' energy: -41.999
flat angles P-C4'-P energy: -20.325
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: 279
Temperature: 1.350000
Total energy: -318.134684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.134684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.134684 (E_RNA)
where:
Base-Base interactions energy: -137.525
where: short stacking energy: -91.671
Base-Backbone interact. energy: 0.991
local terms energy: -181.600713
where:
bonds (distance) C4'-P energy: -51.970
bonds (distance) P-C4' energy: -60.508
flat angles C4'-P-C4' energy: -55.473
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: 7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1156.217732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.217732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.217732 (E_RNA)
where:
Base-Base interactions energy: -798.983
where: short stacking energy: -320.116
Base-Backbone interact. energy: -0.604
local terms energy: -356.630630
where:
bonds (distance) C4'-P energy: -67.402
bonds (distance) P-C4' energy: -65.857
flat angles C4'-P-C4' energy: -71.661
flat angles P-C4'-P energy: -46.278
tors. eta vs tors. theta energy: -105.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1097.326972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.326972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.326972 (E_RNA)
where:
Base-Base interactions energy: -758.056
where: short stacking energy: -320.154
Base-Backbone interact. energy: -2.019
local terms energy: -337.252392
where:
bonds (distance) C4'-P energy: -60.160
bonds (distance) P-C4' energy: -62.950
flat angles C4'-P-C4' energy: -76.441
flat angles P-C4'-P energy: -40.107
tors. eta vs tors. theta energy: -97.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1022.586196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.586196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.586196 (E_RNA)
where:
Base-Base interactions energy: -697.354
where: short stacking energy: -284.814
Base-Backbone interact. energy: 1.442
local terms energy: -326.674510
where:
bonds (distance) C4'-P energy: -55.828
bonds (distance) P-C4' energy: -52.742
flat angles C4'-P-C4' energy: -78.908
flat angles P-C4'-P energy: -46.183
tors. eta vs tors. theta energy: -93.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -956.300633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.300633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.300633 (E_RNA)
where:
Base-Base interactions energy: -648.738
where: short stacking energy: -287.301
Base-Backbone interact. energy: -0.346
local terms energy: -307.216694
where:
bonds (distance) C4'-P energy: -68.647
bonds (distance) P-C4' energy: -57.205
flat angles C4'-P-C4' energy: -62.905
flat angles P-C4'-P energy: -43.804
tors. eta vs tors. theta energy: -74.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -818.788111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.788111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.788111 (E_RNA)
where:
Base-Base interactions energy: -527.730
where: short stacking energy: -240.113
Base-Backbone interact. energy: -0.863
local terms energy: -290.195255
where:
bonds (distance) C4'-P energy: -68.272
bonds (distance) P-C4' energy: -59.920
flat angles C4'-P-C4' energy: -56.710
flat angles P-C4'-P energy: -41.717
tors. eta vs tors. theta energy: -63.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -713.231006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.231006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.231006 (E_RNA)
where:
Base-Base interactions energy: -455.307
where: short stacking energy: -217.102
Base-Backbone interact. energy: 2.754
local terms energy: -260.678718
where:
bonds (distance) C4'-P energy: -58.058
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -45.191
flat angles P-C4'-P energy: -47.098
tors. eta vs tors. theta energy: -46.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -743.513998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.513998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.513998 (E_RNA)
where:
Base-Base interactions energy: -480.604
where: short stacking energy: -205.095
Base-Backbone interact. energy: -1.264
local terms energy: -261.646111
where:
bonds (distance) C4'-P energy: -52.681
bonds (distance) P-C4' energy: -52.814
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -46.547
tors. eta vs tors. theta energy: -54.961
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: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -410.505578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.505578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.505578 (E_RNA)
where:
Base-Base interactions energy: -193.447
where: short stacking energy: -124.953
Base-Backbone interact. energy: -1.548
local terms energy: -215.707151
where:
bonds (distance) C4'-P energy: -66.299
bonds (distance) P-C4' energy: -57.240
flat angles C4'-P-C4' energy: -47.151
flat angles P-C4'-P energy: -37.238
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.196 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -326.854277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.854277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.854277 (E_RNA)
where:
Base-Base interactions energy: -133.927
where: short stacking energy: -111.980
Base-Backbone interact. energy: 2.780
local terms energy: -195.707867
where:
bonds (distance) C4'-P energy: -55.714
bonds (distance) P-C4' energy: -50.879
flat angles C4'-P-C4' energy: -55.621
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -258.682736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.682736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.682736 (E_RNA)
where:
Base-Base interactions energy: -95.654
where: short stacking energy: -77.212
Base-Backbone interact. energy: 0.663
local terms energy: -163.691738
where:
bonds (distance) C4'-P energy: -55.832
bonds (distance) P-C4' energy: -52.769
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -31.115
tors. eta vs tors. theta energy: 15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1138.723788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.723788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.723788 (E_RNA)
where:
Base-Base interactions energy: -787.305
where: short stacking energy: -303.326
Base-Backbone interact. energy: -0.841
local terms energy: -350.779141
where:
bonds (distance) C4'-P energy: -64.209
bonds (distance) P-C4' energy: -65.534
flat angles C4'-P-C4' energy: -77.047
flat angles P-C4'-P energy: -56.821
tors. eta vs tors. theta energy: -87.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.202 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1086.212108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.212108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.212108 (E_RNA)
where:
Base-Base interactions energy: -740.507
where: short stacking energy: -304.233
Base-Backbone interact. energy: -0.566
local terms energy: -345.139205
where:
bonds (distance) C4'-P energy: -70.734
bonds (distance) P-C4' energy: -64.791
flat angles C4'-P-C4' energy: -74.063
flat angles P-C4'-P energy: -45.782
tors. eta vs tors. theta energy: -89.770
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: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1030.492227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.492227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.492227 (E_RNA)
where:
Base-Base interactions energy: -706.710
where: short stacking energy: -303.215
Base-Backbone interact. energy: -1.033
local terms energy: -322.749859
where:
bonds (distance) C4'-P energy: -58.262
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -58.707
flat angles P-C4'-P energy: -45.095
tors. eta vs tors. theta energy: -94.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -875.609638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.609638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.609638 (E_RNA)
where:
Base-Base interactions energy: -570.132
where: short stacking energy: -264.572
Base-Backbone interact. energy: -1.606
local terms energy: -303.871217
where:
bonds (distance) C4'-P energy: -47.375
bonds (distance) P-C4' energy: -65.514
flat angles C4'-P-C4' energy: -59.364
flat angles P-C4'-P energy: -50.881
tors. eta vs tors. theta energy: -80.737
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: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -903.240513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.240513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.240513 (E_RNA)
where:
Base-Base interactions energy: -611.806
where: short stacking energy: -262.250
Base-Backbone interact. energy: -1.364
local terms energy: -290.070965
where:
bonds (distance) C4'-P energy: -66.421
bonds (distance) P-C4' energy: -45.955
flat angles C4'-P-C4' energy: -70.628
flat angles P-C4'-P energy: -40.794
tors. eta vs tors. theta energy: -66.273
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: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -773.526693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.526693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.526693 (E_RNA)
where:
Base-Base interactions energy: -505.706
where: short stacking energy: -218.166
Base-Backbone interact. energy: 0.333
local terms energy: -268.154139
where:
bonds (distance) C4'-P energy: -58.133
bonds (distance) P-C4' energy: -57.098
flat angles C4'-P-C4' energy: -61.867
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -56.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -676.781807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.781807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.781807 (E_RNA)
where:
Base-Base interactions energy: -426.357
where: short stacking energy: -203.563
Base-Backbone interact. energy: 0.739
local terms energy: -251.163160
where:
bonds (distance) C4'-P energy: -54.866
bonds (distance) P-C4' energy: -61.163
flat angles C4'-P-C4' energy: -63.073
flat angles P-C4'-P energy: -29.898
tors. eta vs tors. theta energy: -42.164
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: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -429.776305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.776305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.776305 (E_RNA)
where:
Base-Base interactions energy: -231.291
where: short stacking energy: -120.685
Base-Backbone interact. energy: -3.347
local terms energy: -195.137531
where:
bonds (distance) C4'-P energy: -43.359
bonds (distance) P-C4' energy: -47.248
flat angles C4'-P-C4' energy: -57.081
flat angles P-C4'-P energy: -39.553
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -310.493583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.493583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.493583 (E_RNA)
where:
Base-Base interactions energy: -95.623
where: short stacking energy: -66.926
Base-Backbone interact. energy: -0.905
local terms energy: -213.966291
where:
bonds (distance) C4'-P energy: -63.833
bonds (distance) P-C4' energy: -69.561
flat angles C4'-P-C4' energy: -47.926
flat angles P-C4'-P energy: -40.310
tors. eta vs tors. theta energy: 7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -257.301594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.301594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.301594 (E_RNA)
where:
Base-Base interactions energy: -98.634
where: short stacking energy: -79.644
Base-Backbone interact. energy: -1.408
local terms energy: -157.259891
where:
bonds (distance) C4'-P energy: -55.138
bonds (distance) P-C4' energy: -52.752
flat angles C4'-P-C4' energy: -46.895
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: 14.607
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: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1132.031700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.031700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.031700 (E_RNA)
where:
Base-Base interactions energy: -791.601
where: short stacking energy: -321.387
Base-Backbone interact. energy: -0.676
local terms energy: -339.755535
where:
bonds (distance) C4'-P energy: -66.269
bonds (distance) P-C4' energy: -66.900
flat angles C4'-P-C4' energy: -64.480
flat angles P-C4'-P energy: -50.363
tors. eta vs tors. theta energy: -91.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1106.651970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.651970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.651970 (E_RNA)
where:
Base-Base interactions energy: -756.784
where: short stacking energy: -314.821
Base-Backbone interact. energy: 2.020
local terms energy: -351.888217
where:
bonds (distance) C4'-P energy: -68.245
bonds (distance) P-C4' energy: -65.688
flat angles C4'-P-C4' energy: -74.109
flat angles P-C4'-P energy: -42.083
tors. eta vs tors. theta energy: -101.762
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: 282
Temperature: 1.000000
Total energy: -1023.091712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.091712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.091712 (E_RNA)
where:
Base-Base interactions energy: -684.177
where: short stacking energy: -288.871
Base-Backbone interact. energy: 1.298
local terms energy: -340.212327
where:
bonds (distance) C4'-P energy: -71.418
bonds (distance) P-C4' energy: -70.247
flat angles C4'-P-C4' energy: -72.846
flat angles P-C4'-P energy: -38.363
tors. eta vs tors. theta energy: -87.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -882.632065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.632065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.632065 (E_RNA)
where:
Base-Base interactions energy: -570.967
where: short stacking energy: -254.465
Base-Backbone interact. energy: -0.431
local terms energy: -311.234009
where:
bonds (distance) C4'-P energy: -50.112
bonds (distance) P-C4' energy: -68.799
flat angles C4'-P-C4' energy: -69.052
flat angles P-C4'-P energy: -53.328
tors. eta vs tors. theta energy: -69.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -888.884085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.884085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.884085 (E_RNA)
where:
Base-Base interactions energy: -599.656
where: short stacking energy: -249.997
Base-Backbone interact. energy: -0.174
local terms energy: -289.053815
where:
bonds (distance) C4'-P energy: -58.989
bonds (distance) P-C4' energy: -62.632
flat angles C4'-P-C4' energy: -53.348
flat angles P-C4'-P energy: -43.749
tors. eta vs tors. theta energy: -70.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -784.927251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.927251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.927251 (E_RNA)
where:
Base-Base interactions energy: -515.742
where: short stacking energy: -224.712
Base-Backbone interact. energy: -1.385
local terms energy: -267.800644
where:
bonds (distance) C4'-P energy: -54.311
bonds (distance) P-C4' energy: -64.289
flat angles C4'-P-C4' energy: -53.185
flat angles P-C4'-P energy: -34.629
tors. eta vs tors. theta energy: -61.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -667.125112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.125112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.125112 (E_RNA)
where:
Base-Base interactions energy: -402.803
where: short stacking energy: -184.092
Base-Backbone interact. energy: -0.224
local terms energy: -264.097581
where:
bonds (distance) C4'-P energy: -55.417
bonds (distance) P-C4' energy: -65.450
flat angles C4'-P-C4' energy: -67.251
flat angles P-C4'-P energy: -36.427
tors. eta vs tors. theta energy: -39.553
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: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -449.806649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.806649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.806649 (E_RNA)
where:
Base-Base interactions energy: -235.303
where: short stacking energy: -116.362
Base-Backbone interact. energy: 0.498
local terms energy: -215.002201
where:
bonds (distance) C4'-P energy: -69.937
bonds (distance) P-C4' energy: -49.835
flat angles C4'-P-C4' energy: -53.592
flat angles P-C4'-P energy: -33.291
tors. eta vs tors. theta energy: -8.348
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: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -310.110901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.110901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.110901 (E_RNA)
where:
Base-Base interactions energy: -122.161
where: short stacking energy: -86.163
Base-Backbone interact. energy: -0.704
local terms energy: -187.245875
where:
bonds (distance) C4'-P energy: -57.860
bonds (distance) P-C4' energy: -61.462
flat angles C4'-P-C4' energy: -51.850
flat angles P-C4'-P energy: -24.395
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: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -259.877380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.877380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.877380 (E_RNA)
where:
Base-Base interactions energy: -78.870
where: short stacking energy: -71.338
Base-Backbone interact. energy: -0.254
local terms energy: -180.752483
where:
bonds (distance) C4'-P energy: -53.889
bonds (distance) P-C4' energy: -61.627
flat angles C4'-P-C4' energy: -41.536
flat angles P-C4'-P energy: -33.625
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: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1154.359020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.359020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.359020 (E_RNA)
where:
Base-Base interactions energy: -788.661
where: short stacking energy: -318.244
Base-Backbone interact. energy: 0.040
local terms energy: -365.738447
where:
bonds (distance) C4'-P energy: -66.239
bonds (distance) P-C4' energy: -73.385
flat angles C4'-P-C4' energy: -70.454
flat angles P-C4'-P energy: -51.777
tors. eta vs tors. theta energy: -103.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1101.879275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.879275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.879275 (E_RNA)
where:
Base-Base interactions energy: -762.085
where: short stacking energy: -334.313
Base-Backbone interact. energy: -0.986
local terms energy: -338.808275
where:
bonds (distance) C4'-P energy: -57.306
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -73.418
flat angles P-C4'-P energy: -44.938
tors. eta vs tors. theta energy: -104.899
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: 283
Temperature: 1.000000
Total energy: -1016.951140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.951140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.951140 (E_RNA)
where:
Base-Base interactions energy: -678.109
where: short stacking energy: -312.795
Base-Backbone interact. energy: -2.433
local terms energy: -336.409388
where:
bonds (distance) C4'-P energy: -65.737
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -72.017
flat angles P-C4'-P energy: -43.928
tors. eta vs tors. theta energy: -100.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -931.040373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.040373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.040373 (E_RNA)
where:
Base-Base interactions energy: -606.754
where: short stacking energy: -289.894
Base-Backbone interact. energy: 0.600
local terms energy: -324.885994
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -56.646
flat angles C4'-P-C4' energy: -71.252
flat angles P-C4'-P energy: -51.464
tors. eta vs tors. theta energy: -85.899
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: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -830.033612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.033612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.033612 (E_RNA)
where:
Base-Base interactions energy: -563.360
where: short stacking energy: -254.222
Base-Backbone interact. energy: -0.366
local terms energy: -266.307233
where:
bonds (distance) C4'-P energy: -57.402
bonds (distance) P-C4' energy: -48.809
flat angles C4'-P-C4' energy: -55.613
flat angles P-C4'-P energy: -32.597
tors. eta vs tors. theta energy: -71.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -792.280281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.280281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.280281 (E_RNA)
where:
Base-Base interactions energy: -500.648
where: short stacking energy: -213.316
Base-Backbone interact. energy: -1.029
local terms energy: -290.603286
where:
bonds (distance) C4'-P energy: -63.885
bonds (distance) P-C4' energy: -65.613
flat angles C4'-P-C4' energy: -65.350
flat angles P-C4'-P energy: -41.515
tors. eta vs tors. theta energy: -54.240
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: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -667.283232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.283232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.283232 (E_RNA)
where:
Base-Base interactions energy: -421.608
where: short stacking energy: -198.562
Base-Backbone interact. energy: 0.396
local terms energy: -246.071862
where:
bonds (distance) C4'-P energy: -62.067
bonds (distance) P-C4' energy: -46.239
flat angles C4'-P-C4' energy: -51.716
flat angles P-C4'-P energy: -40.208
tors. eta vs tors. theta energy: -45.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -434.478616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.478616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.478616 (E_RNA)
where:
Base-Base interactions energy: -219.364
where: short stacking energy: -118.342
Base-Backbone interact. energy: 2.652
local terms energy: -217.766863
where:
bonds (distance) C4'-P energy: -61.151
bonds (distance) P-C4' energy: -65.989
flat angles C4'-P-C4' energy: -60.636
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -287.388996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.388996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.388996 (E_RNA)
where:
Base-Base interactions energy: -83.128
where: short stacking energy: -52.632
Base-Backbone interact. energy: -2.465
local terms energy: -201.796319
where:
bonds (distance) C4'-P energy: -53.231
bonds (distance) P-C4' energy: -60.383
flat angles C4'-P-C4' energy: -64.005
flat angles P-C4'-P energy: -29.809
tors. eta vs tors. theta energy: 5.631
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: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -272.292738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.292738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.292738 (E_RNA)
where:
Base-Base interactions energy: -88.699
where: short stacking energy: -79.128
Base-Backbone interact. energy: 5.224
local terms energy: -188.817493
where:
bonds (distance) C4'-P energy: -58.168
bonds (distance) P-C4' energy: -56.104
flat angles C4'-P-C4' energy: -58.180
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: 9.219
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: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1136.600588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.600588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.600588 (E_RNA)
where:
Base-Base interactions energy: -783.035
where: short stacking energy: -294.091
Base-Backbone interact. energy: -1.043
local terms energy: -352.523073
where:
bonds (distance) C4'-P energy: -68.457
bonds (distance) P-C4' energy: -70.450
flat angles C4'-P-C4' energy: -73.885
flat angles P-C4'-P energy: -49.771
tors. eta vs tors. theta energy: -89.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1080.581886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.581886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.581886 (E_RNA)
where:
Base-Base interactions energy: -717.953
where: short stacking energy: -302.574
Base-Backbone interact. energy: -1.064
local terms energy: -361.564320
where:
bonds (distance) C4'-P energy: -59.837
bonds (distance) P-C4' energy: -73.637
flat angles C4'-P-C4' energy: -72.523
flat angles P-C4'-P energy: -55.108
tors. eta vs tors. theta energy: -100.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1038.159522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.159522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.159522 (E_RNA)
where:
Base-Base interactions energy: -699.925
where: short stacking energy: -305.252
Base-Backbone interact. energy: -2.070
local terms energy: -336.164840
where:
bonds (distance) C4'-P energy: -63.023
bonds (distance) P-C4' energy: -62.368
flat angles C4'-P-C4' energy: -74.394
flat angles P-C4'-P energy: -41.736
tors. eta vs tors. theta energy: -94.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -942.431574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.431574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.431574 (E_RNA)
where:
Base-Base interactions energy: -631.924
where: short stacking energy: -269.830
Base-Backbone interact. energy: 1.133
local terms energy: -311.640475
where:
bonds (distance) C4'-P energy: -60.325
bonds (distance) P-C4' energy: -50.246
flat angles C4'-P-C4' energy: -72.582
flat angles P-C4'-P energy: -44.726
tors. eta vs tors. theta energy: -83.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -819.884380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.884380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.884380 (E_RNA)
where:
Base-Base interactions energy: -519.283
where: short stacking energy: -229.836
Base-Backbone interact. energy: -1.479
local terms energy: -299.121557
where:
bonds (distance) C4'-P energy: -63.528
bonds (distance) P-C4' energy: -67.236
flat angles C4'-P-C4' energy: -66.451
flat angles P-C4'-P energy: -42.331
tors. eta vs tors. theta energy: -59.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -742.999993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.999993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.999993 (E_RNA)
where:
Base-Base interactions energy: -471.800
where: short stacking energy: -222.147
Base-Backbone interact. energy: -0.416
local terms energy: -270.783506
where:
bonds (distance) C4'-P energy: -57.074
bonds (distance) P-C4' energy: -67.911
flat angles C4'-P-C4' energy: -60.638
flat angles P-C4'-P energy: -31.336
tors. eta vs tors. theta energy: -53.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -654.746311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.746311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.746311 (E_RNA)
where:
Base-Base interactions energy: -391.227
where: short stacking energy: -176.895
Base-Backbone interact. energy: -0.641
local terms energy: -262.878013
where:
bonds (distance) C4'-P energy: -61.609
bonds (distance) P-C4' energy: -67.913
flat angles C4'-P-C4' energy: -55.051
flat angles P-C4'-P energy: -36.357
tors. eta vs tors. theta energy: -41.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -429.280956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.280956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.280956 (E_RNA)
where:
Base-Base interactions energy: -222.794
where: short stacking energy: -121.076
Base-Backbone interact. energy: -1.049
local terms energy: -205.438518
where:
bonds (distance) C4'-P energy: -57.496
bonds (distance) P-C4' energy: -56.134
flat angles C4'-P-C4' energy: -51.610
flat angles P-C4'-P energy: -35.570
tors. eta vs tors. theta energy: -4.628
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: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -279.534927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.534927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.534927 (E_RNA)
where:
Base-Base interactions energy: -99.635
where: short stacking energy: -54.159
Base-Backbone interact. energy: -1.370
local terms energy: -179.577943
where:
bonds (distance) C4'-P energy: -51.257
bonds (distance) P-C4' energy: -55.459
flat angles C4'-P-C4' energy: -56.204
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: 9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.048 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -260.395833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.395833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.395833 (E_RNA)
where:
Base-Base interactions energy: -90.015
where: short stacking energy: -53.358
Base-Backbone interact. energy: 0.984
local terms energy: -171.364359
where:
bonds (distance) C4'-P energy: -59.277
bonds (distance) P-C4' energy: -51.718
flat angles C4'-P-C4' energy: -51.418
flat angles P-C4'-P energy: -31.988
tors. eta vs tors. theta energy: 23.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1164.222275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.222275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.222275 (E_RNA)
where:
Base-Base interactions energy: -813.557
where: short stacking energy: -317.405
Base-Backbone interact. energy: 1.508
local terms energy: -352.173959
where:
bonds (distance) C4'-P energy: -63.163
bonds (distance) P-C4' energy: -68.651
flat angles C4'-P-C4' energy: -73.341
flat angles P-C4'-P energy: -52.706
tors. eta vs tors. theta energy: -94.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1092.052749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.052749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.052749 (E_RNA)
where:
Base-Base interactions energy: -747.133
where: short stacking energy: -322.213
Base-Backbone interact. energy: -0.436
local terms energy: -345.682091
where:
bonds (distance) C4'-P energy: -62.897
bonds (distance) P-C4' energy: -63.019
flat angles C4'-P-C4' energy: -69.709
flat angles P-C4'-P energy: -52.283
tors. eta vs tors. theta energy: -97.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.199 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1013.353797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.353797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.353797 (E_RNA)
where:
Base-Base interactions energy: -671.513
where: short stacking energy: -283.434
Base-Backbone interact. energy: 0.821
local terms energy: -342.661757
where:
bonds (distance) C4'-P energy: -60.600
bonds (distance) P-C4' energy: -78.808
flat angles C4'-P-C4' energy: -68.837
flat angles P-C4'-P energy: -49.262
tors. eta vs tors. theta energy: -85.155
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: 285
Temperature: 1.050000
Total energy: -946.839566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.839566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.839566 (E_RNA)
where:
Base-Base interactions energy: -613.030
where: short stacking energy: -275.288
Base-Backbone interact. energy: -0.771
local terms energy: -333.037788
where:
bonds (distance) C4'-P energy: -68.780
bonds (distance) P-C4' energy: -62.916
flat angles C4'-P-C4' energy: -67.982
flat angles P-C4'-P energy: -53.102
tors. eta vs tors. theta energy: -80.259
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: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -776.308002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.308002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.308002 (E_RNA)
where:
Base-Base interactions energy: -490.874
where: short stacking energy: -231.887
Base-Backbone interact. energy: -0.401
local terms energy: -285.032811
where:
bonds (distance) C4'-P energy: -54.558
bonds (distance) P-C4' energy: -57.163
flat angles C4'-P-C4' energy: -67.847
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -60.776
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: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -718.628951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.628951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.628951 (E_RNA)
where:
Base-Base interactions energy: -462.437
where: short stacking energy: -208.997
Base-Backbone interact. energy: 0.499
local terms energy: -256.690649
where:
bonds (distance) C4'-P energy: -45.387
bonds (distance) P-C4' energy: -45.736
flat angles C4'-P-C4' energy: -64.553
flat angles P-C4'-P energy: -50.792
tors. eta vs tors. theta energy: -50.222
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: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -701.423504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.423504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.423504 (E_RNA)
where:
Base-Base interactions energy: -439.027
where: short stacking energy: -179.493
Base-Backbone interact. energy: -1.438
local terms energy: -260.958945
where:
bonds (distance) C4'-P energy: -57.006
bonds (distance) P-C4' energy: -62.067
flat angles C4'-P-C4' energy: -64.799
flat angles P-C4'-P energy: -33.003
tors. eta vs tors. theta energy: -44.084
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: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -384.956922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.956922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.956922 (E_RNA)
where:
Base-Base interactions energy: -189.061
where: short stacking energy: -115.985
Base-Backbone interact. energy: -1.655
local terms energy: -194.241644
where:
bonds (distance) C4'-P energy: -52.287
bonds (distance) P-C4' energy: -55.482
flat angles C4'-P-C4' energy: -52.753
flat angles P-C4'-P energy: -33.726
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -293.733668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.733668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.733668 (E_RNA)
where:
Base-Base interactions energy: -104.246
where: short stacking energy: -99.182
Base-Backbone interact. energy: -2.520
local terms energy: -187.617116
where:
bonds (distance) C4'-P energy: -53.329
bonds (distance) P-C4' energy: -53.604
flat angles C4'-P-C4' energy: -61.523
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: 2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.649 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -309.958090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.958090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.958090 (E_RNA)
where:
Base-Base interactions energy: -125.980
where: short stacking energy: -87.042
Base-Backbone interact. energy: 2.408
local terms energy: -186.386875
where:
bonds (distance) C4'-P energy: -52.581
bonds (distance) P-C4' energy: -54.731
flat angles C4'-P-C4' energy: -57.369
flat angles P-C4'-P energy: -22.795
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1131.236944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.236944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.236944 (E_RNA)
where:
Base-Base interactions energy: -799.929
where: short stacking energy: -314.318
Base-Backbone interact. energy: -0.754
local terms energy: -330.553966
where:
bonds (distance) C4'-P energy: -63.669
bonds (distance) P-C4' energy: -61.888
flat angles C4'-P-C4' energy: -65.185
flat angles P-C4'-P energy: -42.222
tors. eta vs tors. theta energy: -97.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1075.070519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.070519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.070519 (E_RNA)
where:
Base-Base interactions energy: -727.128
where: short stacking energy: -308.116
Base-Backbone interact. energy: -2.404
local terms energy: -345.538574
where:
bonds (distance) C4'-P energy: -71.510
bonds (distance) P-C4' energy: -68.074
flat angles C4'-P-C4' energy: -69.744
flat angles P-C4'-P energy: -40.887
tors. eta vs tors. theta energy: -95.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1020.673045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.673045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.673045 (E_RNA)
where:
Base-Base interactions energy: -677.967
where: short stacking energy: -304.059
Base-Backbone interact. energy: -1.198
local terms energy: -341.507874
where:
bonds (distance) C4'-P energy: -58.931
bonds (distance) P-C4' energy: -67.252
flat angles C4'-P-C4' energy: -74.287
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -96.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -961.174747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.174747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.174747 (E_RNA)
where:
Base-Base interactions energy: -649.127
where: short stacking energy: -268.839
Base-Backbone interact. energy: 0.053
local terms energy: -312.101107
where:
bonds (distance) C4'-P energy: -62.337
bonds (distance) P-C4' energy: -69.360
flat angles C4'-P-C4' energy: -58.669
flat angles P-C4'-P energy: -37.591
tors. eta vs tors. theta energy: -84.145
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: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -788.283536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.283536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.283536 (E_RNA)
where:
Base-Base interactions energy: -495.580
where: short stacking energy: -228.117
Base-Backbone interact. energy: -0.640
local terms energy: -292.063770
where:
bonds (distance) C4'-P energy: -51.927
bonds (distance) P-C4' energy: -65.318
flat angles C4'-P-C4' energy: -74.048
flat angles P-C4'-P energy: -41.158
tors. eta vs tors. theta energy: -59.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -695.245644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.245644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.245644 (E_RNA)
where:
Base-Base interactions energy: -442.389
where: short stacking energy: -230.621
Base-Backbone interact. energy: 0.792
local terms energy: -253.648013
where:
bonds (distance) C4'-P energy: -48.661
bonds (distance) P-C4' energy: -52.796
flat angles C4'-P-C4' energy: -63.333
flat angles P-C4'-P energy: -37.607
tors. eta vs tors. theta energy: -51.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -742.554802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.554802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.554802 (E_RNA)
where:
Base-Base interactions energy: -492.562
where: short stacking energy: -213.135
Base-Backbone interact. energy: 4.303
local terms energy: -254.294991
where:
bonds (distance) C4'-P energy: -54.437
bonds (distance) P-C4' energy: -55.562
flat angles C4'-P-C4' energy: -61.142
flat angles P-C4'-P energy: -40.711
tors. eta vs tors. theta energy: -42.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -418.917903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.917903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.917903 (E_RNA)
where:
Base-Base interactions energy: -187.614
where: short stacking energy: -108.051
Base-Backbone interact. energy: -0.503
local terms energy: -230.801009
where:
bonds (distance) C4'-P energy: -58.061
bonds (distance) P-C4' energy: -72.058
flat angles C4'-P-C4' energy: -53.592
flat angles P-C4'-P energy: -34.812
tors. eta vs tors. theta energy: -12.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -361.101983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.101983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.101983 (E_RNA)
where:
Base-Base interactions energy: -169.255
where: short stacking energy: -97.083
Base-Backbone interact. energy: -1.105
local terms energy: -190.741618
where:
bonds (distance) C4'-P energy: -57.592
bonds (distance) P-C4' energy: -42.811
flat angles C4'-P-C4' energy: -46.616
flat angles P-C4'-P energy: -31.501
tors. eta vs tors. theta energy: -12.222
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: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -272.363149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.363149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.363149 (E_RNA)
where:
Base-Base interactions energy: -87.066
where: short stacking energy: -79.342
Base-Backbone interact. energy: 0.315
local terms energy: -185.612350
where:
bonds (distance) C4'-P energy: -53.028
bonds (distance) P-C4' energy: -65.818
flat angles C4'-P-C4' energy: -45.855
flat angles P-C4'-P energy: -24.096
tors. eta vs tors. theta energy: 3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1149.610359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.610359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.610359 (E_RNA)
where:
Base-Base interactions energy: -810.189
where: short stacking energy: -326.911
Base-Backbone interact. energy: 0.154
local terms energy: -339.576205
where:
bonds (distance) C4'-P energy: -51.434
bonds (distance) P-C4' energy: -73.068
flat angles C4'-P-C4' energy: -80.565
flat angles P-C4'-P energy: -45.280
tors. eta vs tors. theta energy: -89.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1080.562683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.562683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.562683 (E_RNA)
where:
Base-Base interactions energy: -743.400
where: short stacking energy: -324.818
Base-Backbone interact. energy: 1.578
local terms energy: -338.740566
where:
bonds (distance) C4'-P energy: -59.654
bonds (distance) P-C4' energy: -64.315
flat angles C4'-P-C4' energy: -73.361
flat angles P-C4'-P energy: -42.987
tors. eta vs tors. theta energy: -98.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -984.700192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.700192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.700192 (E_RNA)
where:
Base-Base interactions energy: -662.733
where: short stacking energy: -300.045
Base-Backbone interact. energy: 2.920
local terms energy: -324.887664
where:
bonds (distance) C4'-P energy: -61.586
bonds (distance) P-C4' energy: -59.431
flat angles C4'-P-C4' energy: -72.183
flat angles P-C4'-P energy: -42.034
tors. eta vs tors. theta energy: -89.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -939.667764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.667764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.667764 (E_RNA)
where:
Base-Base interactions energy: -624.315
where: short stacking energy: -275.251
Base-Backbone interact. energy: -0.460
local terms energy: -314.892833
where:
bonds (distance) C4'-P energy: -56.951
bonds (distance) P-C4' energy: -61.294
flat angles C4'-P-C4' energy: -63.697
flat angles P-C4'-P energy: -50.687
tors. eta vs tors. theta energy: -82.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -797.676383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.676383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.676383 (E_RNA)
where:
Base-Base interactions energy: -508.585
where: short stacking energy: -222.956
Base-Backbone interact. energy: 2.154
local terms energy: -291.245807
where:
bonds (distance) C4'-P energy: -54.405
bonds (distance) P-C4' energy: -63.178
flat angles C4'-P-C4' energy: -64.890
flat angles P-C4'-P energy: -41.889
tors. eta vs tors. theta energy: -66.884
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: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -786.946486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.946486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.946486 (E_RNA)
where:
Base-Base interactions energy: -490.162
where: short stacking energy: -206.190
Base-Backbone interact. energy: -0.157
local terms energy: -296.627826
where:
bonds (distance) C4'-P energy: -72.936
bonds (distance) P-C4' energy: -59.630
flat angles C4'-P-C4' energy: -62.938
flat angles P-C4'-P energy: -45.720
tors. eta vs tors. theta energy: -55.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -652.078389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.078389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.078389 (E_RNA)
where:
Base-Base interactions energy: -409.602
where: short stacking energy: -193.647
Base-Backbone interact. energy: -0.435
local terms energy: -242.041530
where:
bonds (distance) C4'-P energy: -57.597
bonds (distance) P-C4' energy: -60.372
flat angles C4'-P-C4' energy: -50.851
flat angles P-C4'-P energy: -35.020
tors. eta vs tors. theta energy: -38.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -401.496094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.496094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.496094 (E_RNA)
where:
Base-Base interactions energy: -182.885
where: short stacking energy: -110.468
Base-Backbone interact. energy: -1.996
local terms energy: -216.614513
where:
bonds (distance) C4'-P energy: -58.588
bonds (distance) P-C4' energy: -61.821
flat angles C4'-P-C4' energy: -51.717
flat angles P-C4'-P energy: -33.254
tors. eta vs tors. theta energy: -11.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -358.868340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.868340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.868340 (E_RNA)
where:
Base-Base interactions energy: -167.966
where: short stacking energy: -92.165
Base-Backbone interact. energy: -0.835
local terms energy: -190.067855
where:
bonds (distance) C4'-P energy: -47.905
bonds (distance) P-C4' energy: -60.706
flat angles C4'-P-C4' energy: -48.836
flat angles P-C4'-P energy: -36.800
tors. eta vs tors. theta energy: 4.180
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: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -281.631496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.631496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.631496 (E_RNA)
where:
Base-Base interactions energy: -98.113
where: short stacking energy: -75.550
Base-Backbone interact. energy: 1.830
local terms energy: -185.348505
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -57.019
flat angles C4'-P-C4' energy: -49.549
flat angles P-C4'-P energy: -30.589
tors. eta vs tors. theta energy: 5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1127.371370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.371370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.371370 (E_RNA)
where:
Base-Base interactions energy: -776.701
where: short stacking energy: -320.967
Base-Backbone interact. energy: -0.168
local terms energy: -350.502763
where:
bonds (distance) C4'-P energy: -63.758
bonds (distance) P-C4' energy: -58.575
flat angles C4'-P-C4' energy: -81.762
flat angles P-C4'-P energy: -53.576
tors. eta vs tors. theta energy: -92.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1087.103272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.103272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.103272 (E_RNA)
where:
Base-Base interactions energy: -735.653
where: short stacking energy: -323.157
Base-Backbone interact. energy: 2.293
local terms energy: -353.744034
where:
bonds (distance) C4'-P energy: -71.664
bonds (distance) P-C4' energy: -67.757
flat angles C4'-P-C4' energy: -73.990
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -95.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -999.719478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.719478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.719478 (E_RNA)
where:
Base-Base interactions energy: -665.143
where: short stacking energy: -262.428
Base-Backbone interact. energy: -1.780
local terms energy: -332.796705
where:
bonds (distance) C4'-P energy: -70.900
bonds (distance) P-C4' energy: -62.317
flat angles C4'-P-C4' energy: -74.726
flat angles P-C4'-P energy: -45.517
tors. eta vs tors. theta energy: -79.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -895.694556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.694556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.694556 (E_RNA)
where:
Base-Base interactions energy: -594.426
where: short stacking energy: -243.867
Base-Backbone interact. energy: 3.445
local terms energy: -304.713603
where:
bonds (distance) C4'-P energy: -53.364
bonds (distance) P-C4' energy: -59.582
flat angles C4'-P-C4' energy: -73.253
flat angles P-C4'-P energy: -54.003
tors. eta vs tors. theta energy: -64.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -848.232131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.232131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.232131 (E_RNA)
where:
Base-Base interactions energy: -560.666
where: short stacking energy: -255.374
Base-Backbone interact. energy: -1.968
local terms energy: -285.598714
where:
bonds (distance) C4'-P energy: -56.277
bonds (distance) P-C4' energy: -64.087
flat angles C4'-P-C4' energy: -60.349
flat angles P-C4'-P energy: -44.422
tors. eta vs tors. theta energy: -60.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -810.741682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.741682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.741682 (E_RNA)
where:
Base-Base interactions energy: -522.782
where: short stacking energy: -241.404
Base-Backbone interact. energy: -0.432
local terms energy: -287.527650
where:
bonds (distance) C4'-P energy: -52.229
bonds (distance) P-C4' energy: -64.783
flat angles C4'-P-C4' energy: -55.930
flat angles P-C4'-P energy: -48.098
tors. eta vs tors. theta energy: -66.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -673.337044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.337044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.337044 (E_RNA)
where:
Base-Base interactions energy: -422.395
where: short stacking energy: -200.392
Base-Backbone interact. energy: 1.530
local terms energy: -252.472260
where:
bonds (distance) C4'-P energy: -48.911
bonds (distance) P-C4' energy: -56.880
flat angles C4'-P-C4' energy: -59.790
flat angles P-C4'-P energy: -40.759
tors. eta vs tors. theta energy: -46.133
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: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -455.084880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.084880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.084880 (E_RNA)
where:
Base-Base interactions energy: -229.752
where: short stacking energy: -135.631
Base-Backbone interact. energy: -2.613
local terms energy: -222.719719
where:
bonds (distance) C4'-P energy: -51.467
bonds (distance) P-C4' energy: -61.254
flat angles C4'-P-C4' energy: -52.874
flat angles P-C4'-P energy: -35.078
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: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -362.831090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.831090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.831090 (E_RNA)
where:
Base-Base interactions energy: -165.456
where: short stacking energy: -102.458
Base-Backbone interact. energy: -0.511
local terms energy: -196.864266
where:
bonds (distance) C4'-P energy: -55.119
bonds (distance) P-C4' energy: -56.081
flat angles C4'-P-C4' energy: -57.034
flat angles P-C4'-P energy: -32.584
tors. eta vs tors. theta energy: 3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -329.891805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.891805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.891805 (E_RNA)
where:
Base-Base interactions energy: -133.100
where: short stacking energy: -79.475
Base-Backbone interact. energy: -0.877
local terms energy: -195.914805
where:
bonds (distance) C4'-P energy: -58.919
bonds (distance) P-C4' energy: -64.743
flat angles C4'-P-C4' energy: -43.720
flat angles P-C4'-P energy: -26.071
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1127.144063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.144063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.144063 (E_RNA)
where:
Base-Base interactions energy: -771.660
where: short stacking energy: -315.241
Base-Backbone interact. energy: -0.477
local terms energy: -355.007278
where:
bonds (distance) C4'-P energy: -65.255
bonds (distance) P-C4' energy: -64.156
flat angles C4'-P-C4' energy: -77.057
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: -100.769
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: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1081.095599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.095599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.095599 (E_RNA)
where:
Base-Base interactions energy: -741.540
where: short stacking energy: -309.543
Base-Backbone interact. energy: 1.767
local terms energy: -341.323205
where:
bonds (distance) C4'-P energy: -58.966
bonds (distance) P-C4' energy: -67.644
flat angles C4'-P-C4' energy: -71.362
flat angles P-C4'-P energy: -48.513
tors. eta vs tors. theta energy: -94.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -986.627378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.627378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.627378 (E_RNA)
where:
Base-Base interactions energy: -654.866
where: short stacking energy: -310.471
Base-Backbone interact. energy: -0.598
local terms energy: -331.163265
where:
bonds (distance) C4'-P energy: -65.367
bonds (distance) P-C4' energy: -58.150
flat angles C4'-P-C4' energy: -66.018
flat angles P-C4'-P energy: -49.633
tors. eta vs tors. theta energy: -91.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -932.944426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.944426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.944426 (E_RNA)
where:
Base-Base interactions energy: -634.287
where: short stacking energy: -259.067
Base-Backbone interact. energy: -0.149
local terms energy: -298.508627
where:
bonds (distance) C4'-P energy: -61.244
bonds (distance) P-C4' energy: -75.118
flat angles C4'-P-C4' energy: -56.246
flat angles P-C4'-P energy: -40.612
tors. eta vs tors. theta energy: -65.289
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: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -839.216512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.216512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.216512 (E_RNA)
where:
Base-Base interactions energy: -550.166
where: short stacking energy: -238.717
Base-Backbone interact. energy: -1.141
local terms energy: -287.909401
where:
bonds (distance) C4'-P energy: -60.912
bonds (distance) P-C4' energy: -57.781
flat angles C4'-P-C4' energy: -56.612
flat angles P-C4'-P energy: -43.681
tors. eta vs tors. theta energy: -68.924
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: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -796.929559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.929559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.929559 (E_RNA)
where:
Base-Base interactions energy: -520.673
where: short stacking energy: -234.170
Base-Backbone interact. energy: 4.998
local terms energy: -281.254484
where:
bonds (distance) C4'-P energy: -61.389
bonds (distance) P-C4' energy: -58.469
flat angles C4'-P-C4' energy: -63.936
flat angles P-C4'-P energy: -37.047
tors. eta vs tors. theta energy: -60.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -600.402131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.402131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.402131 (E_RNA)
where:
Base-Base interactions energy: -384.847
where: short stacking energy: -169.641
Base-Backbone interact. energy: 3.265
local terms energy: -218.819645
where:
bonds (distance) C4'-P energy: -54.211
bonds (distance) P-C4' energy: -53.889
flat angles C4'-P-C4' energy: -58.601
flat angles P-C4'-P energy: -25.460
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: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -447.935233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.935233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.935233 (E_RNA)
where:
Base-Base interactions energy: -243.919
where: short stacking energy: -125.919
Base-Backbone interact. energy: -0.688
local terms energy: -203.328546
where:
bonds (distance) C4'-P energy: -42.647
bonds (distance) P-C4' energy: -62.336
flat angles C4'-P-C4' energy: -46.494
flat angles P-C4'-P energy: -38.029
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -370.958730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.958730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.958730 (E_RNA)
where:
Base-Base interactions energy: -177.462
where: short stacking energy: -116.413
Base-Backbone interact. energy: -0.461
local terms energy: -193.035456
where:
bonds (distance) C4'-P energy: -44.485
bonds (distance) P-C4' energy: -56.419
flat angles C4'-P-C4' energy: -42.676
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -11.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -275.787873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.787873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.787873 (E_RNA)
where:
Base-Base interactions energy: -103.097
where: short stacking energy: -95.860
Base-Backbone interact. energy: 3.443
local terms energy: -176.133830
where:
bonds (distance) C4'-P energy: -63.280
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -33.276
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1112.751507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.751507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.751507 (E_RNA)
where:
Base-Base interactions energy: -752.822
where: short stacking energy: -324.865
Base-Backbone interact. energy: -0.616
local terms energy: -359.312786
where:
bonds (distance) C4'-P energy: -73.250
bonds (distance) P-C4' energy: -67.287
flat angles C4'-P-C4' energy: -71.664
flat angles P-C4'-P energy: -50.251
tors. eta vs tors. theta energy: -96.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1103.822050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.822050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.822050 (E_RNA)
where:
Base-Base interactions energy: -752.698
where: short stacking energy: -320.934
Base-Backbone interact. energy: -0.813
local terms energy: -350.628374
where:
bonds (distance) C4'-P energy: -63.884
bonds (distance) P-C4' energy: -62.000
flat angles C4'-P-C4' energy: -76.652
flat angles P-C4'-P energy: -50.324
tors. eta vs tors. theta energy: -97.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.317 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -960.000011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.000011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.000011 (E_RNA)
where:
Base-Base interactions energy: -653.742
where: short stacking energy: -283.998
Base-Backbone interact. energy: -1.866
local terms energy: -304.392422
where:
bonds (distance) C4'-P energy: -59.808
bonds (distance) P-C4' energy: -63.601
flat angles C4'-P-C4' energy: -76.045
flat angles P-C4'-P energy: -26.455
tors. eta vs tors. theta energy: -78.483
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: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -945.962929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.962929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.962929 (E_RNA)
where:
Base-Base interactions energy: -633.060
where: short stacking energy: -261.395
Base-Backbone interact. energy: -0.679
local terms energy: -312.224124
where:
bonds (distance) C4'-P energy: -54.865
bonds (distance) P-C4' energy: -60.241
flat angles C4'-P-C4' energy: -66.447
flat angles P-C4'-P energy: -46.863
tors. eta vs tors. theta energy: -83.809
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: 290
Temperature: 1.100000
Total energy: -784.150771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.150771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.150771 (E_RNA)
where:
Base-Base interactions energy: -491.867
where: short stacking energy: -223.999
Base-Backbone interact. energy: 0.284
local terms energy: -292.566795
where:
bonds (distance) C4'-P energy: -44.705
bonds (distance) P-C4' energy: -65.651
flat angles C4'-P-C4' energy: -72.240
flat angles P-C4'-P energy: -53.482
tors. eta vs tors. theta energy: -56.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -791.848068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.848068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.848068 (E_RNA)
where:
Base-Base interactions energy: -531.064
where: short stacking energy: -219.590
Base-Backbone interact. energy: -2.489
local terms energy: -258.295675
where:
bonds (distance) C4'-P energy: -56.890
bonds (distance) P-C4' energy: -69.148
flat angles C4'-P-C4' energy: -49.022
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -51.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -578.418507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.418507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.418507 (E_RNA)
where:
Base-Base interactions energy: -334.905
where: short stacking energy: -164.469
Base-Backbone interact. energy: -0.101
local terms energy: -243.412157
where:
bonds (distance) C4'-P energy: -57.207
bonds (distance) P-C4' energy: -60.326
flat angles C4'-P-C4' energy: -60.153
flat angles P-C4'-P energy: -36.354
tors. eta vs tors. theta energy: -29.372
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: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -528.232182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.232182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.232182 (E_RNA)
where:
Base-Base interactions energy: -313.006
where: short stacking energy: -142.723
Base-Backbone interact. energy: -3.120
local terms energy: -212.336058
where:
bonds (distance) C4'-P energy: -57.611
bonds (distance) P-C4' energy: -59.402
flat angles C4'-P-C4' energy: -55.725
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.229 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -384.214911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.214911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.214911 (E_RNA)
where:
Base-Base interactions energy: -178.470
where: short stacking energy: -95.559
Base-Backbone interact. energy: 5.196
local terms energy: -210.941329
where:
bonds (distance) C4'-P energy: -48.680
bonds (distance) P-C4' energy: -68.857
flat angles C4'-P-C4' energy: -54.670
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -274.870210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.870210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.870210 (E_RNA)
where:
Base-Base interactions energy: -94.157
where: short stacking energy: -81.683
Base-Backbone interact. energy: 2.296
local terms energy: -183.009536
where:
bonds (distance) C4'-P energy: -54.612
bonds (distance) P-C4' energy: -48.570
flat angles C4'-P-C4' energy: -47.503
flat angles P-C4'-P energy: -32.950
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: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1108.656838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.656838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.656838 (E_RNA)
where:
Base-Base interactions energy: -755.328
where: short stacking energy: -321.018
Base-Backbone interact. energy: -1.647
local terms energy: -351.681874
where:
bonds (distance) C4'-P energy: -67.330
bonds (distance) P-C4' energy: -71.204
flat angles C4'-P-C4' energy: -67.524
flat angles P-C4'-P energy: -48.620
tors. eta vs tors. theta energy: -97.005
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: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1143.918100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.918100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.918100 (E_RNA)
where:
Base-Base interactions energy: -771.882
where: short stacking energy: -327.830
Base-Backbone interact. energy: -0.788
local terms energy: -371.248461
where:
bonds (distance) C4'-P energy: -69.246
bonds (distance) P-C4' energy: -60.249
flat angles C4'-P-C4' energy: -83.312
flat angles P-C4'-P energy: -54.214
tors. eta vs tors. theta energy: -104.228
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: 291
Temperature: 1.000000
Total energy: -989.933183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.933183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.933183 (E_RNA)
where:
Base-Base interactions energy: -642.345
where: short stacking energy: -255.857
Base-Backbone interact. energy: -1.317
local terms energy: -346.271096
where:
bonds (distance) C4'-P energy: -57.242
bonds (distance) P-C4' energy: -68.882
flat angles C4'-P-C4' energy: -82.677
flat angles P-C4'-P energy: -53.516
tors. eta vs tors. theta energy: -83.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -921.746767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.746767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.746767 (E_RNA)
where:
Base-Base interactions energy: -622.339
where: short stacking energy: -265.185
Base-Backbone interact. energy: -0.944
local terms energy: -298.463262
where:
bonds (distance) C4'-P energy: -63.014
bonds (distance) P-C4' energy: -66.100
flat angles C4'-P-C4' energy: -60.498
flat angles P-C4'-P energy: -40.452
tors. eta vs tors. theta energy: -68.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -791.682328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.682328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.682328 (E_RNA)
where:
Base-Base interactions energy: -506.750
where: short stacking energy: -200.769
Base-Backbone interact. energy: -1.885
local terms energy: -283.047677
where:
bonds (distance) C4'-P energy: -60.068
bonds (distance) P-C4' energy: -62.254
flat angles C4'-P-C4' energy: -62.590
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -60.821
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: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -853.256827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.256827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.256827 (E_RNA)
where:
Base-Base interactions energy: -580.364
where: short stacking energy: -256.706
Base-Backbone interact. energy: -1.206
local terms energy: -271.686609
where:
bonds (distance) C4'-P energy: -41.031
bonds (distance) P-C4' energy: -59.813
flat angles C4'-P-C4' energy: -70.537
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -64.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -561.151268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.151268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.151268 (E_RNA)
where:
Base-Base interactions energy: -316.138
where: short stacking energy: -135.449
Base-Backbone interact. energy: 1.776
local terms energy: -246.789475
where:
bonds (distance) C4'-P energy: -59.219
bonds (distance) P-C4' energy: -69.060
flat angles C4'-P-C4' energy: -63.866
flat angles P-C4'-P energy: -27.512
tors. eta vs tors. theta energy: -27.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -518.734332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.734332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.734332 (E_RNA)
where:
Base-Base interactions energy: -289.435
where: short stacking energy: -140.934
Base-Backbone interact. energy: 0.635
local terms energy: -229.934698
where:
bonds (distance) C4'-P energy: -53.679
bonds (distance) P-C4' energy: -67.617
flat angles C4'-P-C4' energy: -60.206
flat angles P-C4'-P energy: -35.051
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -388.491437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.491437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.491437 (E_RNA)
where:
Base-Base interactions energy: -172.985
where: short stacking energy: -98.538
Base-Backbone interact. energy: -0.398
local terms energy: -215.108482
where:
bonds (distance) C4'-P energy: -60.604
bonds (distance) P-C4' energy: -66.033
flat angles C4'-P-C4' energy: -53.038
flat angles P-C4'-P energy: -25.143
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -263.780636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.780636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.780636 (E_RNA)
where:
Base-Base interactions energy: -108.381
where: short stacking energy: -71.284
Base-Backbone interact. energy: 8.812
local terms energy: -166.667562
where:
bonds (distance) C4'-P energy: -46.107
bonds (distance) P-C4' energy: -57.880
flat angles C4'-P-C4' energy: -41.651
flat angles P-C4'-P energy: -37.708
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: 2.455 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1144.018681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.018681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.018681 (E_RNA)
where:
Base-Base interactions energy: -794.866
where: short stacking energy: -306.385
Base-Backbone interact. energy: -0.697
local terms energy: -348.455560
where:
bonds (distance) C4'-P energy: -67.199
bonds (distance) P-C4' energy: -69.884
flat angles C4'-P-C4' energy: -72.297
flat angles P-C4'-P energy: -49.710
tors. eta vs tors. theta energy: -89.366
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: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1097.352790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.352790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.352790 (E_RNA)
where:
Base-Base interactions energy: -749.530
where: short stacking energy: -316.372
Base-Backbone interact. energy: 0.315
local terms energy: -348.137730
where:
bonds (distance) C4'-P energy: -73.963
bonds (distance) P-C4' energy: -57.069
flat angles C4'-P-C4' energy: -76.621
flat angles P-C4'-P energy: -49.889
tors. eta vs tors. theta energy: -90.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -987.726397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.726397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.726397 (E_RNA)
where:
Base-Base interactions energy: -673.508
where: short stacking energy: -293.372
Base-Backbone interact. energy: 0.326
local terms energy: -314.544206
where:
bonds (distance) C4'-P energy: -59.032
bonds (distance) P-C4' energy: -63.982
flat angles C4'-P-C4' energy: -61.977
flat angles P-C4'-P energy: -49.842
tors. eta vs tors. theta energy: -79.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -961.954250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.954250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.954250 (E_RNA)
where:
Base-Base interactions energy: -643.494
where: short stacking energy: -282.347
Base-Backbone interact. energy: -2.457
local terms energy: -316.003445
where:
bonds (distance) C4'-P energy: -62.571
bonds (distance) P-C4' energy: -62.354
flat angles C4'-P-C4' energy: -71.412
flat angles P-C4'-P energy: -39.025
tors. eta vs tors. theta energy: -80.641
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: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -848.455466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.455466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.455466 (E_RNA)
where:
Base-Base interactions energy: -563.684
where: short stacking energy: -248.234
Base-Backbone interact. energy: -0.606
local terms energy: -284.165424
where:
bonds (distance) C4'-P energy: -61.368
bonds (distance) P-C4' energy: -56.650
flat angles C4'-P-C4' energy: -65.502
flat angles P-C4'-P energy: -41.198
tors. eta vs tors. theta energy: -59.448
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: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -774.029310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.029310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.029310 (E_RNA)
where:
Base-Base interactions energy: -488.602
where: short stacking energy: -221.637
Base-Backbone interact. energy: 4.331
local terms energy: -289.758754
where:
bonds (distance) C4'-P energy: -59.938
bonds (distance) P-C4' energy: -57.981
flat angles C4'-P-C4' energy: -65.991
flat angles P-C4'-P energy: -41.990
tors. eta vs tors. theta energy: -63.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -613.002412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.002412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.002412 (E_RNA)
where:
Base-Base interactions energy: -356.880
where: short stacking energy: -184.945
Base-Backbone interact. energy: 1.352
local terms energy: -257.474323
where:
bonds (distance) C4'-P energy: -55.559
bonds (distance) P-C4' energy: -56.550
flat angles C4'-P-C4' energy: -57.964
flat angles P-C4'-P energy: -41.466
tors. eta vs tors. theta energy: -45.936
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: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -482.519670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.519670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.519670 (E_RNA)
where:
Base-Base interactions energy: -255.696
where: short stacking energy: -141.919
Base-Backbone interact. energy: 0.799
local terms energy: -228.402548
where:
bonds (distance) C4'-P energy: -56.333
bonds (distance) P-C4' energy: -58.469
flat angles C4'-P-C4' energy: -46.600
flat angles P-C4'-P energy: -35.648
tors. eta vs tors. theta energy: -31.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.780 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -436.347886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.347886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.347886 (E_RNA)
where:
Base-Base interactions energy: -219.388
where: short stacking energy: -112.728
Base-Backbone interact. energy: 1.575
local terms energy: -218.535016
where:
bonds (distance) C4'-P energy: -69.333
bonds (distance) P-C4' energy: -54.595
flat angles C4'-P-C4' energy: -54.952
flat angles P-C4'-P energy: -33.035
tors. eta vs tors. theta energy: -6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -286.345152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.345152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.345152 (E_RNA)
where:
Base-Base interactions energy: -114.865
where: short stacking energy: -73.750
Base-Backbone interact. energy: 2.362
local terms energy: -173.841948
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -57.323
flat angles C4'-P-C4' energy: -40.928
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: 20.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1145.804582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.804582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.804582 (E_RNA)
where:
Base-Base interactions energy: -774.194
where: short stacking energy: -310.658
Base-Backbone interact. energy: 0.596
local terms energy: -372.206773
where:
bonds (distance) C4'-P energy: -71.449
bonds (distance) P-C4' energy: -63.027
flat angles C4'-P-C4' energy: -74.467
flat angles P-C4'-P energy: -59.823
tors. eta vs tors. theta energy: -103.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1085.686930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.686930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.686930 (E_RNA)
where:
Base-Base interactions energy: -739.237
where: short stacking energy: -303.913
Base-Backbone interact. energy: -0.888
local terms energy: -345.561171
where:
bonds (distance) C4'-P energy: -53.598
bonds (distance) P-C4' energy: -57.747
flat angles C4'-P-C4' energy: -80.412
flat angles P-C4'-P energy: -62.079
tors. eta vs tors. theta energy: -91.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -976.319578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.319578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.319578 (E_RNA)
where:
Base-Base interactions energy: -650.488
where: short stacking energy: -290.427
Base-Backbone interact. energy: -1.645
local terms energy: -324.186578
where:
bonds (distance) C4'-P energy: -58.383
bonds (distance) P-C4' energy: -54.976
flat angles C4'-P-C4' energy: -71.273
flat angles P-C4'-P energy: -48.606
tors. eta vs tors. theta energy: -90.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -923.153254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.153254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.153254 (E_RNA)
where:
Base-Base interactions energy: -594.199
where: short stacking energy: -272.821
Base-Backbone interact. energy: -0.358
local terms energy: -328.596837
where:
bonds (distance) C4'-P energy: -58.827
bonds (distance) P-C4' energy: -68.409
flat angles C4'-P-C4' energy: -68.734
flat angles P-C4'-P energy: -50.292
tors. eta vs tors. theta energy: -82.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -860.809021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.809021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.809021 (E_RNA)
where:
Base-Base interactions energy: -561.927
where: short stacking energy: -229.861
Base-Backbone interact. energy: -2.887
local terms energy: -295.995147
where:
bonds (distance) C4'-P energy: -61.286
bonds (distance) P-C4' energy: -62.572
flat angles C4'-P-C4' energy: -58.569
flat angles P-C4'-P energy: -47.633
tors. eta vs tors. theta energy: -65.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -739.171902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.171902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.171902 (E_RNA)
where:
Base-Base interactions energy: -451.501
where: short stacking energy: -194.388
Base-Backbone interact. energy: -1.996
local terms energy: -285.675439
where:
bonds (distance) C4'-P energy: -61.884
bonds (distance) P-C4' energy: -50.880
flat angles C4'-P-C4' energy: -61.407
flat angles P-C4'-P energy: -53.935
tors. eta vs tors. theta energy: -57.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -610.743215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.743215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.743215 (E_RNA)
where:
Base-Base interactions energy: -366.845
where: short stacking energy: -164.010
Base-Backbone interact. energy: 0.784
local terms energy: -244.681915
where:
bonds (distance) C4'-P energy: -58.590
bonds (distance) P-C4' energy: -61.335
flat angles C4'-P-C4' energy: -55.401
flat angles P-C4'-P energy: -33.113
tors. eta vs tors. theta energy: -36.243
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: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -456.930116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.930116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.930116 (E_RNA)
where:
Base-Base interactions energy: -237.829
where: short stacking energy: -132.288
Base-Backbone interact. energy: 3.523
local terms energy: -222.623822
where:
bonds (distance) C4'-P energy: -59.631
bonds (distance) P-C4' energy: -68.700
flat angles C4'-P-C4' energy: -59.925
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -12.218
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: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -421.458143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.458143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.458143 (E_RNA)
where:
Base-Base interactions energy: -211.148
where: short stacking energy: -120.944
Base-Backbone interact. energy: 1.368
local terms energy: -211.678817
where:
bonds (distance) C4'-P energy: -54.340
bonds (distance) P-C4' energy: -62.061
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -13.075
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: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -268.710549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.710549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.710549 (E_RNA)
where:
Base-Base interactions energy: -102.436
where: short stacking energy: -78.093
Base-Backbone interact. energy: -0.093
local terms energy: -166.181335
where:
bonds (distance) C4'-P energy: -48.787
bonds (distance) P-C4' energy: -66.677
flat angles C4'-P-C4' energy: -38.735
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: 13.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1133.232898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.232898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.232898 (E_RNA)
where:
Base-Base interactions energy: -790.414
where: short stacking energy: -326.524
Base-Backbone interact. energy: -0.880
local terms energy: -341.939030
where:
bonds (distance) C4'-P energy: -56.216
bonds (distance) P-C4' energy: -66.988
flat angles C4'-P-C4' energy: -73.548
flat angles P-C4'-P energy: -47.035
tors. eta vs tors. theta energy: -98.153
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: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1079.277079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.277079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.277079 (E_RNA)
where:
Base-Base interactions energy: -735.725
where: short stacking energy: -290.121
Base-Backbone interact. energy: 0.732
local terms energy: -344.284162
where:
bonds (distance) C4'-P energy: -59.794
bonds (distance) P-C4' energy: -69.521
flat angles C4'-P-C4' energy: -74.976
flat angles P-C4'-P energy: -51.138
tors. eta vs tors. theta energy: -88.855
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: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -979.734041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.734041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.734041 (E_RNA)
where:
Base-Base interactions energy: -649.512
where: short stacking energy: -275.569
Base-Backbone interact. energy: -0.363
local terms energy: -329.859192
where:
bonds (distance) C4'-P energy: -65.682
bonds (distance) P-C4' energy: -70.168
flat angles C4'-P-C4' energy: -66.230
flat angles P-C4'-P energy: -43.704
tors. eta vs tors. theta energy: -84.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -918.092357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.092357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.092357 (E_RNA)
where:
Base-Base interactions energy: -617.719
where: short stacking energy: -262.865
Base-Backbone interact. energy: 2.199
local terms energy: -302.572472
where:
bonds (distance) C4'-P energy: -56.564
bonds (distance) P-C4' energy: -55.000
flat angles C4'-P-C4' energy: -71.602
flat angles P-C4'-P energy: -44.984
tors. eta vs tors. theta energy: -74.424
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: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -836.516581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.516581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.516581 (E_RNA)
where:
Base-Base interactions energy: -537.555
where: short stacking energy: -216.657
Base-Backbone interact. energy: 1.739
local terms energy: -300.700952
where:
bonds (distance) C4'-P energy: -66.288
bonds (distance) P-C4' energy: -63.864
flat angles C4'-P-C4' energy: -65.732
flat angles P-C4'-P energy: -48.834
tors. eta vs tors. theta energy: -55.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -748.403113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.403113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.403113 (E_RNA)
where:
Base-Base interactions energy: -488.208
where: short stacking energy: -202.993
Base-Backbone interact. energy: 0.842
local terms energy: -261.036857
where:
bonds (distance) C4'-P energy: -44.843
bonds (distance) P-C4' energy: -63.031
flat angles C4'-P-C4' energy: -66.793
flat angles P-C4'-P energy: -41.564
tors. eta vs tors. theta energy: -44.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -636.471903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.471903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.471903 (E_RNA)
where:
Base-Base interactions energy: -372.078
where: short stacking energy: -190.176
Base-Backbone interact. energy: 1.319
local terms energy: -265.752412
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -63.811
flat angles C4'-P-C4' energy: -59.783
flat angles P-C4'-P energy: -44.055
tors. eta vs tors. theta energy: -45.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.039 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -544.464065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.464065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.464065 (E_RNA)
where:
Base-Base interactions energy: -315.220
where: short stacking energy: -143.507
Base-Backbone interact. energy: -1.806
local terms energy: -227.871507
where:
bonds (distance) C4'-P energy: -55.359
bonds (distance) P-C4' energy: -50.331
flat angles C4'-P-C4' energy: -56.038
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -31.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.434 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -441.324903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.324903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.324903 (E_RNA)
where:
Base-Base interactions energy: -219.944
where: short stacking energy: -130.048
Base-Backbone interact. energy: 3.364
local terms energy: -224.745003
where:
bonds (distance) C4'-P energy: -64.150
bonds (distance) P-C4' energy: -58.509
flat angles C4'-P-C4' energy: -51.399
flat angles P-C4'-P energy: -30.226
tors. eta vs tors. theta energy: -20.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -276.060202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.060202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.060202 (E_RNA)
where:
Base-Base interactions energy: -118.794
where: short stacking energy: -73.135
Base-Backbone interact. energy: -1.575
local terms energy: -155.691103
where:
bonds (distance) C4'-P energy: -46.154
bonds (distance) P-C4' energy: -40.605
flat angles C4'-P-C4' energy: -62.196
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: 13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1119.487613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.487613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.487613 (E_RNA)
where:
Base-Base interactions energy: -747.758
where: short stacking energy: -312.183
Base-Backbone interact. energy: -1.063
local terms energy: -370.666110
where:
bonds (distance) C4'-P energy: -77.005
bonds (distance) P-C4' energy: -70.268
flat angles C4'-P-C4' energy: -72.181
flat angles P-C4'-P energy: -56.357
tors. eta vs tors. theta energy: -94.856
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: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1080.978392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.978392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.978392 (E_RNA)
where:
Base-Base interactions energy: -737.563
where: short stacking energy: -300.495
Base-Backbone interact. energy: -1.263
local terms energy: -342.152397
where:
bonds (distance) C4'-P energy: -63.287
bonds (distance) P-C4' energy: -57.851
flat angles C4'-P-C4' energy: -81.656
flat angles P-C4'-P energy: -49.176
tors. eta vs tors. theta energy: -90.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -985.873670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.873670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.873670 (E_RNA)
where:
Base-Base interactions energy: -651.373
where: short stacking energy: -282.251
Base-Backbone interact. energy: -1.931
local terms energy: -332.768959
where:
bonds (distance) C4'-P energy: -68.542
bonds (distance) P-C4' energy: -55.685
flat angles C4'-P-C4' energy: -66.887
flat angles P-C4'-P energy: -53.765
tors. eta vs tors. theta energy: -87.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.199 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -932.214733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.214733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.214733 (E_RNA)
where:
Base-Base interactions energy: -611.201
where: short stacking energy: -252.584
Base-Backbone interact. energy: -0.083
local terms energy: -320.930792
where:
bonds (distance) C4'-P energy: -68.043
bonds (distance) P-C4' energy: -65.085
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -55.573
tors. eta vs tors. theta energy: -73.194
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: 295
Temperature: 1.100000
Total energy: -868.577719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.577719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.577719 (E_RNA)
where:
Base-Base interactions energy: -563.121
where: short stacking energy: -254.063
Base-Backbone interact. energy: -1.277
local terms energy: -304.180473
where:
bonds (distance) C4'-P energy: -62.747
bonds (distance) P-C4' energy: -64.148
flat angles C4'-P-C4' energy: -72.235
flat angles P-C4'-P energy: -41.520
tors. eta vs tors. theta energy: -63.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -798.832315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.832315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.832315 (E_RNA)
where:
Base-Base interactions energy: -509.573
where: short stacking energy: -213.649
Base-Backbone interact. energy: -0.932
local terms energy: -288.326985
where:
bonds (distance) C4'-P energy: -55.900
bonds (distance) P-C4' energy: -65.546
flat angles C4'-P-C4' energy: -65.904
flat angles P-C4'-P energy: -37.304
tors. eta vs tors. theta energy: -63.673
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: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -604.173939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.173939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.173939 (E_RNA)
where:
Base-Base interactions energy: -366.951
where: short stacking energy: -175.475
Base-Backbone interact. energy: -0.742
local terms energy: -236.786450
where:
bonds (distance) C4'-P energy: -56.937
bonds (distance) P-C4' energy: -57.983
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -40.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.306 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -527.892068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.892068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.892068 (E_RNA)
where:
Base-Base interactions energy: -298.827
where: short stacking energy: -155.755
Base-Backbone interact. energy: 3.570
local terms energy: -232.634888
where:
bonds (distance) C4'-P energy: -57.606
bonds (distance) P-C4' energy: -61.853
flat angles C4'-P-C4' energy: -53.799
flat angles P-C4'-P energy: -35.769
tors. eta vs tors. theta energy: -23.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -391.326085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.326085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.326085 (E_RNA)
where:
Base-Base interactions energy: -199.803
where: short stacking energy: -103.709
Base-Backbone interact. energy: 0.045
local terms energy: -191.568033
where:
bonds (distance) C4'-P energy: -54.304
bonds (distance) P-C4' energy: -64.142
flat angles C4'-P-C4' energy: -41.985
flat angles P-C4'-P energy: -27.010
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -276.729400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.729400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.729400 (E_RNA)
where:
Base-Base interactions energy: -83.377
where: short stacking energy: -50.683
Base-Backbone interact. energy: -1.222
local terms energy: -193.554254
where:
bonds (distance) C4'-P energy: -58.440
bonds (distance) P-C4' energy: -71.717
flat angles C4'-P-C4' energy: -44.358
flat angles P-C4'-P energy: -30.899
tors. eta vs tors. theta energy: 11.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.424 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1147.750466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.750466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.750466 (E_RNA)
where:
Base-Base interactions energy: -787.612
where: short stacking energy: -318.948
Base-Backbone interact. energy: -0.841
local terms energy: -359.297174
where:
bonds (distance) C4'-P energy: -67.293
bonds (distance) P-C4' energy: -69.575
flat angles C4'-P-C4' energy: -68.461
flat angles P-C4'-P energy: -50.764
tors. eta vs tors. theta energy: -103.204
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: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1098.191060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.191060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.191060 (E_RNA)
where:
Base-Base interactions energy: -741.765
where: short stacking energy: -328.175
Base-Backbone interact. energy: -1.452
local terms energy: -354.973443
where:
bonds (distance) C4'-P energy: -73.181
bonds (distance) P-C4' energy: -67.220
flat angles C4'-P-C4' energy: -78.323
flat angles P-C4'-P energy: -46.032
tors. eta vs tors. theta energy: -90.218
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: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -984.267002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.267002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.267002 (E_RNA)
where:
Base-Base interactions energy: -666.873
where: short stacking energy: -315.491
Base-Backbone interact. energy: 2.377
local terms energy: -319.770120
where:
bonds (distance) C4'-P energy: -60.300
bonds (distance) P-C4' energy: -58.906
flat angles C4'-P-C4' energy: -68.114
flat angles P-C4'-P energy: -43.140
tors. eta vs tors. theta energy: -89.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -908.630674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.630674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.630674 (E_RNA)
where:
Base-Base interactions energy: -605.536
where: short stacking energy: -238.982
Base-Backbone interact. energy: -4.249
local terms energy: -298.845126
where:
bonds (distance) C4'-P energy: -61.170
bonds (distance) P-C4' energy: -58.070
flat angles C4'-P-C4' energy: -69.874
flat angles P-C4'-P energy: -47.036
tors. eta vs tors. theta energy: -62.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -869.287111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.287111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.287111 (E_RNA)
where:
Base-Base interactions energy: -572.218
where: short stacking energy: -238.738
Base-Backbone interact. energy: -0.629
local terms energy: -296.439687
where:
bonds (distance) C4'-P energy: -64.718
bonds (distance) P-C4' energy: -63.105
flat angles C4'-P-C4' energy: -69.258
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -63.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -747.831657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.831657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.831657 (E_RNA)
where:
Base-Base interactions energy: -493.076
where: short stacking energy: -199.166
Base-Backbone interact. energy: -0.359
local terms energy: -254.396234
where:
bonds (distance) C4'-P energy: -45.512
bonds (distance) P-C4' energy: -59.678
flat angles C4'-P-C4' energy: -59.068
flat angles P-C4'-P energy: -49.545
tors. eta vs tors. theta energy: -40.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -554.315540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.315540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.315540 (E_RNA)
where:
Base-Base interactions energy: -308.626
where: short stacking energy: -138.937
Base-Backbone interact. energy: -1.078
local terms energy: -245.873804
where:
bonds (distance) C4'-P energy: -52.310
bonds (distance) P-C4' energy: -63.001
flat angles C4'-P-C4' energy: -56.670
flat angles P-C4'-P energy: -45.231
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: 1.262 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -511.828684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.828684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.828684 (E_RNA)
where:
Base-Base interactions energy: -305.576
where: short stacking energy: -141.069
Base-Backbone interact. energy: -1.639
local terms energy: -204.613747
where:
bonds (distance) C4'-P energy: -45.784
bonds (distance) P-C4' energy: -62.065
flat angles C4'-P-C4' energy: -51.384
flat angles P-C4'-P energy: -31.782
tors. eta vs tors. theta energy: -13.599
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: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -411.592434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.592434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.592434 (E_RNA)
where:
Base-Base interactions energy: -199.050
where: short stacking energy: -112.615
Base-Backbone interact. energy: -0.496
local terms energy: -212.046904
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -67.571
flat angles C4'-P-C4' energy: -55.561
flat angles P-C4'-P energy: -22.647
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: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -265.221795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.221795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.221795 (E_RNA)
where:
Base-Base interactions energy: -94.643
where: short stacking energy: -74.006
Base-Backbone interact. energy: 2.347
local terms energy: -172.925888
where:
bonds (distance) C4'-P energy: -56.569
bonds (distance) P-C4' energy: -52.582
flat angles C4'-P-C4' energy: -47.537
flat angles P-C4'-P energy: -24.603
tors. eta vs tors. theta energy: 8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1144.179345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.179345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.179345 (E_RNA)
where:
Base-Base interactions energy: -783.056
where: short stacking energy: -319.142
Base-Backbone interact. energy: -0.669
local terms energy: -360.454221
where:
bonds (distance) C4'-P energy: -66.554
bonds (distance) P-C4' energy: -71.903
flat angles C4'-P-C4' energy: -72.191
flat angles P-C4'-P energy: -48.452
tors. eta vs tors. theta energy: -101.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1081.240228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.240228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.240228 (E_RNA)
where:
Base-Base interactions energy: -744.127
where: short stacking energy: -301.748
Base-Backbone interact. energy: -1.585
local terms energy: -335.528173
where:
bonds (distance) C4'-P energy: -64.026
bonds (distance) P-C4' energy: -64.618
flat angles C4'-P-C4' energy: -71.287
flat angles P-C4'-P energy: -48.100
tors. eta vs tors. theta energy: -87.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -992.642097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.642097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.642097 (E_RNA)
where:
Base-Base interactions energy: -676.538
where: short stacking energy: -271.292
Base-Backbone interact. energy: 1.244
local terms energy: -317.852619
where:
bonds (distance) C4'-P energy: -53.171
bonds (distance) P-C4' energy: -75.025
flat angles C4'-P-C4' energy: -69.600
flat angles P-C4'-P energy: -44.625
tors. eta vs tors. theta energy: -75.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.504 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -935.827947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.827947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.827947 (E_RNA)
where:
Base-Base interactions energy: -628.690
where: short stacking energy: -261.028
Base-Backbone interact. energy: -0.910
local terms energy: -306.227437
where:
bonds (distance) C4'-P energy: -62.348
bonds (distance) P-C4' energy: -56.860
flat angles C4'-P-C4' energy: -67.764
flat angles P-C4'-P energy: -48.085
tors. eta vs tors. theta energy: -71.171
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: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -875.079563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.079563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.079563 (E_RNA)
where:
Base-Base interactions energy: -592.496
where: short stacking energy: -223.901
Base-Backbone interact. energy: -0.250
local terms energy: -282.332838
where:
bonds (distance) C4'-P energy: -58.623
bonds (distance) P-C4' energy: -60.575
flat angles C4'-P-C4' energy: -62.724
flat angles P-C4'-P energy: -45.967
tors. eta vs tors. theta energy: -54.442
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: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -735.312052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.312052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.312052 (E_RNA)
where:
Base-Base interactions energy: -465.754
where: short stacking energy: -216.966
Base-Backbone interact. energy: -1.692
local terms energy: -267.866269
where:
bonds (distance) C4'-P energy: -48.703
bonds (distance) P-C4' energy: -54.903
flat angles C4'-P-C4' energy: -66.819
flat angles P-C4'-P energy: -50.670
tors. eta vs tors. theta energy: -46.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -528.139414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.139414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.139414 (E_RNA)
where:
Base-Base interactions energy: -307.509
where: short stacking energy: -138.967
Base-Backbone interact. energy: -1.189
local terms energy: -219.441353
where:
bonds (distance) C4'-P energy: -64.843
bonds (distance) P-C4' energy: -63.854
flat angles C4'-P-C4' energy: -57.061
flat angles P-C4'-P energy: -17.627
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: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -496.990147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.990147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.990147 (E_RNA)
where:
Base-Base interactions energy: -285.077
where: short stacking energy: -142.996
Base-Backbone interact. energy: -0.794
local terms energy: -211.119125
where:
bonds (distance) C4'-P energy: -54.078
bonds (distance) P-C4' energy: -56.296
flat angles C4'-P-C4' energy: -56.278
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -411.400634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.400634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.400634 (E_RNA)
where:
Base-Base interactions energy: -213.066
where: short stacking energy: -116.311
Base-Backbone interact. energy: -0.379
local terms energy: -197.955427
where:
bonds (distance) C4'-P energy: -62.067
bonds (distance) P-C4' energy: -69.572
flat angles C4'-P-C4' energy: -40.703
flat angles P-C4'-P energy: -24.084
tors. eta vs tors. theta energy: -1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -243.965635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.965635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.965635 (E_RNA)
where:
Base-Base interactions energy: -70.403
where: short stacking energy: -62.317
Base-Backbone interact. energy: 0.381
local terms energy: -173.943893
where:
bonds (distance) C4'-P energy: -49.012
bonds (distance) P-C4' energy: -58.113
flat angles C4'-P-C4' energy: -37.510
flat angles P-C4'-P energy: -41.255
tors. eta vs tors. theta energy: 11.946
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: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1141.630148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.630148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.630148 (E_RNA)
where:
Base-Base interactions energy: -791.164
where: short stacking energy: -331.102
Base-Backbone interact. energy: 0.036
local terms energy: -350.502483
where:
bonds (distance) C4'-P energy: -59.881
bonds (distance) P-C4' energy: -67.372
flat angles C4'-P-C4' energy: -72.261
flat angles P-C4'-P energy: -49.280
tors. eta vs tors. theta energy: -101.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1065.358641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.358641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.358641 (E_RNA)
where:
Base-Base interactions energy: -715.793
where: short stacking energy: -302.341
Base-Backbone interact. energy: -1.879
local terms energy: -347.687051
where:
bonds (distance) C4'-P energy: -57.111
bonds (distance) P-C4' energy: -76.573
flat angles C4'-P-C4' energy: -72.066
flat angles P-C4'-P energy: -49.717
tors. eta vs tors. theta energy: -92.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1040.839122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.839122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.839122 (E_RNA)
where:
Base-Base interactions energy: -713.304
where: short stacking energy: -284.926
Base-Backbone interact. energy: -2.185
local terms energy: -325.437143
where:
bonds (distance) C4'-P energy: -63.463
bonds (distance) P-C4' energy: -48.431
flat angles C4'-P-C4' energy: -76.490
flat angles P-C4'-P energy: -49.389
tors. eta vs tors. theta energy: -87.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.087 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -961.546536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.546536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.546536 (E_RNA)
where:
Base-Base interactions energy: -646.325
where: short stacking energy: -262.695
Base-Backbone interact. energy: -1.534
local terms energy: -313.687701
where:
bonds (distance) C4'-P energy: -60.102
bonds (distance) P-C4' energy: -62.974
flat angles C4'-P-C4' energy: -68.902
flat angles P-C4'-P energy: -41.476
tors. eta vs tors. theta energy: -80.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -822.714640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.714640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.714640 (E_RNA)
where:
Base-Base interactions energy: -537.035
where: short stacking energy: -222.054
Base-Backbone interact. energy: 0.180
local terms energy: -285.859852
where:
bonds (distance) C4'-P energy: -68.990
bonds (distance) P-C4' energy: -62.421
flat angles C4'-P-C4' energy: -69.565
flat angles P-C4'-P energy: -35.119
tors. eta vs tors. theta energy: -49.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -742.709251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.709251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.709251 (E_RNA)
where:
Base-Base interactions energy: -473.648
where: short stacking energy: -197.594
Base-Backbone interact. energy: -0.778
local terms energy: -268.282541
where:
bonds (distance) C4'-P energy: -50.818
bonds (distance) P-C4' energy: -66.589
flat angles C4'-P-C4' energy: -58.076
flat angles P-C4'-P energy: -44.802
tors. eta vs tors. theta energy: -47.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -583.417897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.417897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.417897 (E_RNA)
where:
Base-Base interactions energy: -346.873
where: short stacking energy: -177.454
Base-Backbone interact. energy: -2.036
local terms energy: -234.509163
where:
bonds (distance) C4'-P energy: -59.862
bonds (distance) P-C4' energy: -56.545
flat angles C4'-P-C4' energy: -51.395
flat angles P-C4'-P energy: -33.784
tors. eta vs tors. theta energy: -32.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -499.695209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.695209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.695209 (E_RNA)
where:
Base-Base interactions energy: -293.420
where: short stacking energy: -147.102
Base-Backbone interact. energy: -1.824
local terms energy: -204.451006
where:
bonds (distance) C4'-P energy: -52.145
bonds (distance) P-C4' energy: -53.703
flat angles C4'-P-C4' energy: -56.655
flat angles P-C4'-P energy: -25.842
tors. eta vs tors. theta energy: -16.107
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: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -416.900640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.900640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.900640 (E_RNA)
where:
Base-Base interactions energy: -202.105
where: short stacking energy: -109.532
Base-Backbone interact. energy: 5.623
local terms energy: -220.418546
where:
bonds (distance) C4'-P energy: -61.991
bonds (distance) P-C4' energy: -55.536
flat angles C4'-P-C4' energy: -56.325
flat angles P-C4'-P energy: -38.046
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: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -276.575482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.575482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.575482 (E_RNA)
where:
Base-Base interactions energy: -82.616
where: short stacking energy: -67.865
Base-Backbone interact. energy: -2.292
local terms energy: -191.667227
where:
bonds (distance) C4'-P energy: -64.949
bonds (distance) P-C4' energy: -60.672
flat angles C4'-P-C4' energy: -50.175
flat angles P-C4'-P energy: -30.715
tors. eta vs tors. theta energy: 14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1150.561271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.561271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.561271 (E_RNA)
where:
Base-Base interactions energy: -785.003
where: short stacking energy: -326.016
Base-Backbone interact. energy: -0.367
local terms energy: -365.190729
where:
bonds (distance) C4'-P energy: -75.307
bonds (distance) P-C4' energy: -67.003
flat angles C4'-P-C4' energy: -82.604
flat angles P-C4'-P energy: -46.766
tors. eta vs tors. theta energy: -93.510
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: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1088.090261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.090261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.090261 (E_RNA)
where:
Base-Base interactions energy: -753.910
where: short stacking energy: -293.111
Base-Backbone interact. energy: 0.916
local terms energy: -335.096739
where:
bonds (distance) C4'-P energy: -70.279
bonds (distance) P-C4' energy: -63.048
flat angles C4'-P-C4' energy: -69.634
flat angles P-C4'-P energy: -47.665
tors. eta vs tors. theta energy: -84.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1007.616177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.616177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.616177 (E_RNA)
where:
Base-Base interactions energy: -692.024
where: short stacking energy: -293.047
Base-Backbone interact. energy: -1.449
local terms energy: -314.150321
where:
bonds (distance) C4'-P energy: -65.532
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -71.099
flat angles P-C4'-P energy: -35.777
tors. eta vs tors. theta energy: -75.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.007 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -989.458923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.458923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.458923 (E_RNA)
where:
Base-Base interactions energy: -670.528
where: short stacking energy: -282.862
Base-Backbone interact. energy: -1.479
local terms energy: -317.451681
where:
bonds (distance) C4'-P energy: -74.564
bonds (distance) P-C4' energy: -49.498
flat angles C4'-P-C4' energy: -69.319
flat angles P-C4'-P energy: -45.520
tors. eta vs tors. theta energy: -78.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -866.677357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.677357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.677357 (E_RNA)
where:
Base-Base interactions energy: -576.763
where: short stacking energy: -251.650
Base-Backbone interact. energy: 0.889
local terms energy: -290.803371
where:
bonds (distance) C4'-P energy: -57.129
bonds (distance) P-C4' energy: -65.228
flat angles C4'-P-C4' energy: -60.070
flat angles P-C4'-P energy: -43.841
tors. eta vs tors. theta energy: -64.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -732.428920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.428920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.428920 (E_RNA)
where:
Base-Base interactions energy: -460.154
where: short stacking energy: -214.200
Base-Backbone interact. energy: -1.002
local terms energy: -271.273347
where:
bonds (distance) C4'-P energy: -64.535
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -54.340
flat angles P-C4'-P energy: -35.201
tors. eta vs tors. theta energy: -62.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -656.500176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.500176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.500176 (E_RNA)
where:
Base-Base interactions energy: -386.344
where: short stacking energy: -178.477
Base-Backbone interact. energy: 0.900
local terms energy: -271.056028
where:
bonds (distance) C4'-P energy: -59.225
bonds (distance) P-C4' energy: -51.493
flat angles C4'-P-C4' energy: -71.452
flat angles P-C4'-P energy: -30.427
tors. eta vs tors. theta energy: -58.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -488.133742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.133742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.133742 (E_RNA)
where:
Base-Base interactions energy: -278.023
where: short stacking energy: -139.562
Base-Backbone interact. energy: -1.521
local terms energy: -208.590505
where:
bonds (distance) C4'-P energy: -60.413
bonds (distance) P-C4' energy: -64.959
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -22.645
tors. eta vs tors. theta energy: -12.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -377.919646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.919646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.919646 (E_RNA)
where:
Base-Base interactions energy: -188.933
where: short stacking energy: -108.072
Base-Backbone interact. energy: 0.517
local terms energy: -189.503746
where:
bonds (distance) C4'-P energy: -60.808
bonds (distance) P-C4' energy: -49.465
flat angles C4'-P-C4' energy: -50.479
flat angles P-C4'-P energy: -28.003
tors. eta vs tors. theta energy: -0.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -279.742877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.742877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.742877 (E_RNA)
where:
Base-Base interactions energy: -90.512
where: short stacking energy: -66.398
Base-Backbone interact. energy: 0.821
local terms energy: -190.052002
where:
bonds (distance) C4'-P energy: -48.424
bonds (distance) P-C4' energy: -63.969
flat angles C4'-P-C4' energy: -53.760
flat angles P-C4'-P energy: -29.900
tors. eta vs tors. theta energy: 6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1169.656781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.656781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.656781 (E_RNA)
where:
Base-Base interactions energy: -792.376
where: short stacking energy: -333.487
Base-Backbone interact. energy: -1.162
local terms energy: -376.118438
where:
bonds (distance) C4'-P energy: -65.641
bonds (distance) P-C4' energy: -66.096
flat angles C4'-P-C4' energy: -77.114
flat angles P-C4'-P energy: -60.069
tors. eta vs tors. theta energy: -107.198
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: 300
Temperature: 0.950000
Total energy: -1092.315049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.315049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.315049 (E_RNA)
where:
Base-Base interactions energy: -753.891
where: short stacking energy: -303.516
Base-Backbone interact. energy: -2.460
local terms energy: -335.964717
where:
bonds (distance) C4'-P energy: -64.598
bonds (distance) P-C4' energy: -61.628
flat angles C4'-P-C4' energy: -64.701
flat angles P-C4'-P energy: -46.657
tors. eta vs tors. theta energy: -98.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1002.379542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.379542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.379542 (E_RNA)
where:
Base-Base interactions energy: -683.214
where: short stacking energy: -272.991
Base-Backbone interact. energy: -3.050
local terms energy: -316.115728
where:
bonds (distance) C4'-P energy: -64.173
bonds (distance) P-C4' energy: -59.747
flat angles C4'-P-C4' energy: -72.426
flat angles P-C4'-P energy: -42.439
tors. eta vs tors. theta energy: -77.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -946.814017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.814017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.814017 (E_RNA)
where:
Base-Base interactions energy: -622.660
where: short stacking energy: -264.338
Base-Backbone interact. energy: -1.061
local terms energy: -323.093494
where:
bonds (distance) C4'-P energy: -58.943
bonds (distance) P-C4' energy: -68.866
flat angles C4'-P-C4' energy: -66.829
flat angles P-C4'-P energy: -46.022
tors. eta vs tors. theta energy: -82.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -891.575165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.575165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.575165 (E_RNA)
where:
Base-Base interactions energy: -573.050
where: short stacking energy: -260.610
Base-Backbone interact. energy: -3.029
local terms energy: -315.495477
where:
bonds (distance) C4'-P energy: -51.868
bonds (distance) P-C4' energy: -67.363
flat angles C4'-P-C4' energy: -74.806
flat angles P-C4'-P energy: -50.550
tors. eta vs tors. theta energy: -70.908
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: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -735.711467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.711467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.711467 (E_RNA)
where:
Base-Base interactions energy: -455.975
where: short stacking energy: -205.733
Base-Backbone interact. energy: -2.054
local terms energy: -277.682139
where:
bonds (distance) C4'-P energy: -54.353
bonds (distance) P-C4' energy: -72.581
flat angles C4'-P-C4' energy: -59.892
flat angles P-C4'-P energy: -49.083
tors. eta vs tors. theta energy: -41.772
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: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -681.429509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.429509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.429509 (E_RNA)
where:
Base-Base interactions energy: -424.800
where: short stacking energy: -199.315
Base-Backbone interact. energy: 0.016
local terms energy: -256.644979
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -56.468
flat angles C4'-P-C4' energy: -66.907
flat angles P-C4'-P energy: -40.653
tors. eta vs tors. theta energy: -40.312
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: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -469.591965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.591965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.591965 (E_RNA)
where:
Base-Base interactions energy: -259.811
where: short stacking energy: -127.703
Base-Backbone interact. energy: 2.985
local terms energy: -212.766109
where:
bonds (distance) C4'-P energy: -57.017
bonds (distance) P-C4' energy: -48.679
flat angles C4'-P-C4' energy: -59.738
flat angles P-C4'-P energy: -40.780
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -368.660803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.660803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.660803 (E_RNA)
where:
Base-Base interactions energy: -169.521
where: short stacking energy: -102.404
Base-Backbone interact. energy: -1.124
local terms energy: -198.016415
where:
bonds (distance) C4'-P energy: -49.736
bonds (distance) P-C4' energy: -57.333
flat angles C4'-P-C4' energy: -53.443
flat angles P-C4'-P energy: -34.753
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -272.693099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.693099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.693099 (E_RNA)
where:
Base-Base interactions energy: -88.219
where: short stacking energy: -72.207
Base-Backbone interact. energy: -1.572
local terms energy: -182.901703
where:
bonds (distance) C4'-P energy: -46.588
bonds (distance) P-C4' energy: -53.677
flat angles C4'-P-C4' energy: -48.567
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1139.197342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.197342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.197342 (E_RNA)
where:
Base-Base interactions energy: -778.313
where: short stacking energy: -313.111
Base-Backbone interact. energy: -0.975
local terms energy: -359.909376
where:
bonds (distance) C4'-P energy: -67.798
bonds (distance) P-C4' energy: -57.175
flat angles C4'-P-C4' energy: -74.129
flat angles P-C4'-P energy: -54.109
tors. eta vs tors. theta energy: -106.699
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: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1092.224552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.224552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.224552 (E_RNA)
where:
Base-Base interactions energy: -742.833
where: short stacking energy: -297.139
Base-Backbone interact. energy: -1.342
local terms energy: -348.049359
where:
bonds (distance) C4'-P energy: -66.195
bonds (distance) P-C4' energy: -64.478
flat angles C4'-P-C4' energy: -66.769
flat angles P-C4'-P energy: -54.852
tors. eta vs tors. theta energy: -95.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -997.478707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.478707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.478707 (E_RNA)
where:
Base-Base interactions energy: -681.027
where: short stacking energy: -286.906
Base-Backbone interact. energy: -1.487
local terms energy: -314.965116
where:
bonds (distance) C4'-P energy: -66.720
bonds (distance) P-C4' energy: -55.557
flat angles C4'-P-C4' energy: -73.308
flat angles P-C4'-P energy: -38.721
tors. eta vs tors. theta energy: -80.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -948.461159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.461159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.461159 (E_RNA)
where:
Base-Base interactions energy: -642.038
where: short stacking energy: -259.028
Base-Backbone interact. energy: 1.590
local terms energy: -308.013166
where:
bonds (distance) C4'-P energy: -50.725
bonds (distance) P-C4' energy: -62.391
flat angles C4'-P-C4' energy: -71.795
flat angles P-C4'-P energy: -49.423
tors. eta vs tors. theta energy: -73.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -849.014214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.014214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.014214 (E_RNA)
where:
Base-Base interactions energy: -567.087
where: short stacking energy: -236.975
Base-Backbone interact. energy: 1.668
local terms energy: -283.595549
where:
bonds (distance) C4'-P energy: -54.334
bonds (distance) P-C4' energy: -61.899
flat angles C4'-P-C4' energy: -65.407
flat angles P-C4'-P energy: -44.457
tors. eta vs tors. theta energy: -57.499
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: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -709.249659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.249659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.249659 (E_RNA)
where:
Base-Base interactions energy: -448.795
where: short stacking energy: -215.817
Base-Backbone interact. energy: -0.510
local terms energy: -259.944340
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -66.324
flat angles C4'-P-C4' energy: -52.492
flat angles P-C4'-P energy: -40.815
tors. eta vs tors. theta energy: -54.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -697.304113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.304113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.304113 (E_RNA)
where:
Base-Base interactions energy: -443.831
where: short stacking energy: -205.115
Base-Backbone interact. energy: 0.245
local terms energy: -253.718419
where:
bonds (distance) C4'-P energy: -52.951
bonds (distance) P-C4' energy: -45.168
flat angles C4'-P-C4' energy: -65.281
flat angles P-C4'-P energy: -38.390
tors. eta vs tors. theta energy: -51.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -423.976772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.976772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.976772 (E_RNA)
where:
Base-Base interactions energy: -205.875
where: short stacking energy: -102.864
Base-Backbone interact. energy: -1.305
local terms energy: -216.796929
where:
bonds (distance) C4'-P energy: -64.596
bonds (distance) P-C4' energy: -59.205
flat angles C4'-P-C4' energy: -53.730
flat angles P-C4'-P energy: -41.910
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: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -360.586977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.586977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.586977 (E_RNA)
where:
Base-Base interactions energy: -163.233
where: short stacking energy: -98.085
Base-Backbone interact. energy: -2.448
local terms energy: -194.905837
where:
bonds (distance) C4'-P energy: -56.984
bonds (distance) P-C4' energy: -53.729
flat angles C4'-P-C4' energy: -49.424
flat angles P-C4'-P energy: -34.625
tors. eta vs tors. theta energy: -0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -266.439700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.439700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.439700 (E_RNA)
where:
Base-Base interactions energy: -115.926
where: short stacking energy: -90.477
Base-Backbone interact. energy: 0.967
local terms energy: -151.480843
where:
bonds (distance) C4'-P energy: -44.603
bonds (distance) P-C4' energy: -62.962
flat angles C4'-P-C4' energy: -31.379
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: 13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1161.249330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.249330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.249330 (E_RNA)
where:
Base-Base interactions energy: -814.803
where: short stacking energy: -327.538
Base-Backbone interact. energy: -0.246
local terms energy: -346.200013
where:
bonds (distance) C4'-P energy: -59.478
bonds (distance) P-C4' energy: -68.047
flat angles C4'-P-C4' energy: -67.524
flat angles P-C4'-P energy: -58.163
tors. eta vs tors. theta energy: -92.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1093.820937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.820937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.820937 (E_RNA)
where:
Base-Base interactions energy: -767.078
where: short stacking energy: -309.229
Base-Backbone interact. energy: -0.149
local terms energy: -326.594851
where:
bonds (distance) C4'-P energy: -54.590
bonds (distance) P-C4' energy: -59.734
flat angles C4'-P-C4' energy: -72.356
flat angles P-C4'-P energy: -45.490
tors. eta vs tors. theta energy: -94.425
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: 302
Temperature: 1.000000
Total energy: -1013.297113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.297113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.297113 (E_RNA)
where:
Base-Base interactions energy: -678.015
where: short stacking energy: -288.623
Base-Backbone interact. energy: -1.350
local terms energy: -333.932499
where:
bonds (distance) C4'-P energy: -58.152
bonds (distance) P-C4' energy: -64.326
flat angles C4'-P-C4' energy: -76.127
flat angles P-C4'-P energy: -51.867
tors. eta vs tors. theta energy: -83.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -922.287556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.287556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.287556 (E_RNA)
where:
Base-Base interactions energy: -617.338
where: short stacking energy: -260.757
Base-Backbone interact. energy: -0.907
local terms energy: -304.042123
where:
bonds (distance) C4'-P energy: -62.204
bonds (distance) P-C4' energy: -58.607
flat angles C4'-P-C4' energy: -64.964
flat angles P-C4'-P energy: -44.731
tors. eta vs tors. theta energy: -73.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -885.015888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.015888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.015888 (E_RNA)
where:
Base-Base interactions energy: -554.765
where: short stacking energy: -241.854
Base-Backbone interact. energy: -1.351
local terms energy: -328.899752
where:
bonds (distance) C4'-P energy: -67.340
bonds (distance) P-C4' energy: -71.754
flat angles C4'-P-C4' energy: -66.505
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -73.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -672.104127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.104127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.104127 (E_RNA)
where:
Base-Base interactions energy: -426.401
where: short stacking energy: -175.086
Base-Backbone interact. energy: -2.209
local terms energy: -243.494380
where:
bonds (distance) C4'-P energy: -60.623
bonds (distance) P-C4' energy: -57.090
flat angles C4'-P-C4' energy: -61.344
flat angles P-C4'-P energy: -23.304
tors. eta vs tors. theta energy: -41.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -709.210240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.210240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.210240 (E_RNA)
where:
Base-Base interactions energy: -438.113
where: short stacking energy: -192.802
Base-Backbone interact. energy: -0.437
local terms energy: -270.659908
where:
bonds (distance) C4'-P energy: -58.969
bonds (distance) P-C4' energy: -66.650
flat angles C4'-P-C4' energy: -59.779
flat angles P-C4'-P energy: -35.544
tors. eta vs tors. theta energy: -49.718
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: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -411.417919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.417919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.417919 (E_RNA)
where:
Base-Base interactions energy: -212.659
where: short stacking energy: -125.060
Base-Backbone interact. energy: -1.233
local terms energy: -197.525854
where:
bonds (distance) C4'-P energy: -57.572
bonds (distance) P-C4' energy: -52.330
flat angles C4'-P-C4' energy: -40.314
flat angles P-C4'-P energy: -35.150
tors. eta vs tors. theta energy: -12.160
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: 302
Temperature: 1.300000
Total energy: -406.587939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.587939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.587939 (E_RNA)
where:
Base-Base interactions energy: -196.418
where: short stacking energy: -127.128
Base-Backbone interact. energy: -0.542
local terms energy: -209.627755
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -57.277
flat angles C4'-P-C4' energy: -50.921
flat angles P-C4'-P energy: -45.333
tors. eta vs tors. theta energy: -8.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -275.549435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.549435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.549435 (E_RNA)
where:
Base-Base interactions energy: -75.354
where: short stacking energy: -63.783
Base-Backbone interact. energy: -1.996
local terms energy: -198.199545
where:
bonds (distance) C4'-P energy: -62.777
bonds (distance) P-C4' energy: -63.882
flat angles C4'-P-C4' energy: -55.447
flat angles P-C4'-P energy: -28.034
tors. eta vs tors. theta energy: 11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1159.594970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.594970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.594970 (E_RNA)
where:
Base-Base interactions energy: -805.180
where: short stacking energy: -315.639
Base-Backbone interact. energy: -0.043
local terms energy: -354.371671
where:
bonds (distance) C4'-P energy: -74.848
bonds (distance) P-C4' energy: -60.568
flat angles C4'-P-C4' energy: -66.316
flat angles P-C4'-P energy: -47.177
tors. eta vs tors. theta energy: -105.462
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: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1087.891968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.891968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.891968 (E_RNA)
where:
Base-Base interactions energy: -745.150
where: short stacking energy: -333.776
Base-Backbone interact. energy: 0.514
local terms energy: -343.256282
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -61.951
flat angles C4'-P-C4' energy: -72.427
flat angles P-C4'-P energy: -44.610
tors. eta vs tors. theta energy: -101.305
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: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1008.757768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.757768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.757768 (E_RNA)
where:
Base-Base interactions energy: -678.993
where: short stacking energy: -273.668
Base-Backbone interact. energy: -1.045
local terms energy: -328.719612
where:
bonds (distance) C4'-P energy: -67.595
bonds (distance) P-C4' energy: -61.285
flat angles C4'-P-C4' energy: -73.467
flat angles P-C4'-P energy: -40.658
tors. eta vs tors. theta energy: -85.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -943.079358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.079358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.079358 (E_RNA)
where:
Base-Base interactions energy: -625.019
where: short stacking energy: -262.461
Base-Backbone interact. energy: -1.053
local terms energy: -317.007536
where:
bonds (distance) C4'-P energy: -67.599
bonds (distance) P-C4' energy: -59.795
flat angles C4'-P-C4' energy: -61.767
flat angles P-C4'-P energy: -44.969
tors. eta vs tors. theta energy: -82.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -835.627067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.627067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.627067 (E_RNA)
where:
Base-Base interactions energy: -521.213
where: short stacking energy: -223.583
Base-Backbone interact. energy: -0.418
local terms energy: -313.996415
where:
bonds (distance) C4'-P energy: -62.909
bonds (distance) P-C4' energy: -63.459
flat angles C4'-P-C4' energy: -63.622
flat angles P-C4'-P energy: -53.117
tors. eta vs tors. theta energy: -70.890
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: 303
Temperature: 1.150000
Total energy: -720.455582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.455582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.455582 (E_RNA)
where:
Base-Base interactions energy: -449.793
where: short stacking energy: -211.659
Base-Backbone interact. energy: -0.793
local terms energy: -269.869646
where:
bonds (distance) C4'-P energy: -65.270
bonds (distance) P-C4' energy: -62.785
flat angles C4'-P-C4' energy: -52.711
flat angles P-C4'-P energy: -47.534
tors. eta vs tors. theta energy: -41.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -682.296916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.296916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.296916 (E_RNA)
where:
Base-Base interactions energy: -424.469
where: short stacking energy: -186.744
Base-Backbone interact. energy: -1.961
local terms energy: -255.867005
where:
bonds (distance) C4'-P energy: -57.492
bonds (distance) P-C4' energy: -67.579
flat angles C4'-P-C4' energy: -47.149
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -49.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -417.466328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.466328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.466328 (E_RNA)
where:
Base-Base interactions energy: -189.376
where: short stacking energy: -104.020
Base-Backbone interact. energy: 0.119
local terms energy: -228.209473
where:
bonds (distance) C4'-P energy: -57.987
bonds (distance) P-C4' energy: -72.287
flat angles C4'-P-C4' energy: -53.772
flat angles P-C4'-P energy: -38.374
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -372.656602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.656602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.656602 (E_RNA)
where:
Base-Base interactions energy: -164.286
where: short stacking energy: -111.350
Base-Backbone interact. energy: -1.464
local terms energy: -206.906685
where:
bonds (distance) C4'-P energy: -48.454
bonds (distance) P-C4' energy: -63.933
flat angles C4'-P-C4' energy: -53.203
flat angles P-C4'-P energy: -36.938
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -266.408931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.408931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.408931 (E_RNA)
where:
Base-Base interactions energy: -87.954
where: short stacking energy: -82.121
Base-Backbone interact. energy: 1.579
local terms energy: -180.033045
where:
bonds (distance) C4'-P energy: -44.590
bonds (distance) P-C4' energy: -57.122
flat angles C4'-P-C4' energy: -47.171
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: -0.496
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: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1118.343849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.343849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.343849 (E_RNA)
where:
Base-Base interactions energy: -750.185
where: short stacking energy: -326.257
Base-Backbone interact. energy: -2.511
local terms energy: -365.648664
where:
bonds (distance) C4'-P energy: -70.245
bonds (distance) P-C4' energy: -65.265
flat angles C4'-P-C4' energy: -75.459
flat angles P-C4'-P energy: -52.258
tors. eta vs tors. theta energy: -102.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1127.149774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.149774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.149774 (E_RNA)
where:
Base-Base interactions energy: -783.078
where: short stacking energy: -323.224
Base-Backbone interact. energy: -0.212
local terms energy: -343.859596
where:
bonds (distance) C4'-P energy: -59.507
bonds (distance) P-C4' energy: -69.028
flat angles C4'-P-C4' energy: -67.729
flat angles P-C4'-P energy: -50.391
tors. eta vs tors. theta energy: -97.205
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: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -985.123936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.123936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.123936 (E_RNA)
where:
Base-Base interactions energy: -650.960
where: short stacking energy: -256.380
Base-Backbone interact. energy: -2.764
local terms energy: -331.399970
where:
bonds (distance) C4'-P energy: -72.150
bonds (distance) P-C4' energy: -76.454
flat angles C4'-P-C4' energy: -64.748
flat angles P-C4'-P energy: -48.830
tors. eta vs tors. theta energy: -69.217
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: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -931.918414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.918414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.918414 (E_RNA)
where:
Base-Base interactions energy: -620.084
where: short stacking energy: -253.985
Base-Backbone interact. energy: -0.235
local terms energy: -311.599927
where:
bonds (distance) C4'-P energy: -45.981
bonds (distance) P-C4' energy: -58.718
flat angles C4'-P-C4' energy: -77.043
flat angles P-C4'-P energy: -54.782
tors. eta vs tors. theta energy: -75.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -864.050625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.050625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.050625 (E_RNA)
where:
Base-Base interactions energy: -557.391
where: short stacking energy: -243.811
Base-Backbone interact. energy: -0.016
local terms energy: -306.642943
where:
bonds (distance) C4'-P energy: -62.608
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -56.939
flat angles P-C4'-P energy: -50.413
tors. eta vs tors. theta energy: -84.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -726.974479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.974479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.974479 (E_RNA)
where:
Base-Base interactions energy: -457.991
where: short stacking energy: -209.997
Base-Backbone interact. energy: -1.012
local terms energy: -267.971553
where:
bonds (distance) C4'-P energy: -55.093
bonds (distance) P-C4' energy: -52.531
flat angles C4'-P-C4' energy: -64.565
flat angles P-C4'-P energy: -41.882
tors. eta vs tors. theta energy: -53.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -666.301553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.301553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.301553 (E_RNA)
where:
Base-Base interactions energy: -409.186
where: short stacking energy: -179.667
Base-Backbone interact. energy: 0.106
local terms energy: -257.221300
where:
bonds (distance) C4'-P energy: -60.219
bonds (distance) P-C4' energy: -56.169
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -36.253
tors. eta vs tors. theta energy: -43.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -425.908254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.908254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.908254 (E_RNA)
where:
Base-Base interactions energy: -215.583
where: short stacking energy: -115.869
Base-Backbone interact. energy: -0.546
local terms energy: -209.779157
where:
bonds (distance) C4'-P energy: -54.539
bonds (distance) P-C4' energy: -58.107
flat angles C4'-P-C4' energy: -60.606
flat angles P-C4'-P energy: -29.424
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -395.929458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.929458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.929458 (E_RNA)
where:
Base-Base interactions energy: -173.313
where: short stacking energy: -95.571
Base-Backbone interact. energy: -0.254
local terms energy: -222.362555
where:
bonds (distance) C4'-P energy: -57.514
bonds (distance) P-C4' energy: -64.279
flat angles C4'-P-C4' energy: -54.282
flat angles P-C4'-P energy: -32.160
tors. eta vs tors. theta energy: -14.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -269.976401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.976401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.976401 (E_RNA)
where:
Base-Base interactions energy: -100.617
where: short stacking energy: -66.256
Base-Backbone interact. energy: -2.357
local terms energy: -167.003212
where:
bonds (distance) C4'-P energy: -46.061
bonds (distance) P-C4' energy: -57.933
flat angles C4'-P-C4' energy: -45.251
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: 7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1127.204967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.204967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.204967 (E_RNA)
where:
Base-Base interactions energy: -775.311
where: short stacking energy: -340.367
Base-Backbone interact. energy: -1.806
local terms energy: -350.087966
where:
bonds (distance) C4'-P energy: -61.138
bonds (distance) P-C4' energy: -72.179
flat angles C4'-P-C4' energy: -71.006
flat angles P-C4'-P energy: -46.491
tors. eta vs tors. theta energy: -99.274
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: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1142.134007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.134007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.134007 (E_RNA)
where:
Base-Base interactions energy: -786.696
where: short stacking energy: -322.594
Base-Backbone interact. energy: -0.138
local terms energy: -355.299833
where:
bonds (distance) C4'-P energy: -70.059
bonds (distance) P-C4' energy: -61.380
flat angles C4'-P-C4' energy: -78.722
flat angles P-C4'-P energy: -50.206
tors. eta vs tors. theta energy: -94.933
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: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1016.746476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.746476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.746476 (E_RNA)
where:
Base-Base interactions energy: -698.468
where: short stacking energy: -283.127
Base-Backbone interact. energy: -1.015
local terms energy: -317.263639
where:
bonds (distance) C4'-P energy: -55.782
bonds (distance) P-C4' energy: -63.967
flat angles C4'-P-C4' energy: -67.102
flat angles P-C4'-P energy: -47.209
tors. eta vs tors. theta energy: -83.204
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: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -902.343455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.343455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.343455 (E_RNA)
where:
Base-Base interactions energy: -598.522
where: short stacking energy: -237.565
Base-Backbone interact. energy: -1.653
local terms energy: -302.168279
where:
bonds (distance) C4'-P energy: -60.471
bonds (distance) P-C4' energy: -58.694
flat angles C4'-P-C4' energy: -68.986
flat angles P-C4'-P energy: -50.108
tors. eta vs tors. theta energy: -63.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -849.213352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.213352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.213352 (E_RNA)
where:
Base-Base interactions energy: -558.545
where: short stacking energy: -240.413
Base-Backbone interact. energy: -0.539
local terms energy: -290.128860
where:
bonds (distance) C4'-P energy: -60.063
bonds (distance) P-C4' energy: -50.348
flat angles C4'-P-C4' energy: -71.797
flat angles P-C4'-P energy: -34.187
tors. eta vs tors. theta energy: -73.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -715.700899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.700899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.700899 (E_RNA)
where:
Base-Base interactions energy: -440.145
where: short stacking energy: -211.887
Base-Backbone interact. energy: -0.479
local terms energy: -275.076935
where:
bonds (distance) C4'-P energy: -50.469
bonds (distance) P-C4' energy: -65.619
flat angles C4'-P-C4' energy: -66.524
flat angles P-C4'-P energy: -38.394
tors. eta vs tors. theta energy: -54.071
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: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -642.953127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.953127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.953127 (E_RNA)
where:
Base-Base interactions energy: -370.442
where: short stacking energy: -189.638
Base-Backbone interact. energy: -1.845
local terms energy: -270.665600
where:
bonds (distance) C4'-P energy: -56.436
bonds (distance) P-C4' energy: -63.117
flat angles C4'-P-C4' energy: -62.970
flat angles P-C4'-P energy: -30.465
tors. eta vs tors. theta energy: -57.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -460.699630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.699630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.699630 (E_RNA)
where:
Base-Base interactions energy: -236.893
where: short stacking energy: -104.576
Base-Backbone interact. energy: 0.609
local terms energy: -224.416030
where:
bonds (distance) C4'-P energy: -59.577
bonds (distance) P-C4' energy: -56.100
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -45.830
tors. eta vs tors. theta energy: -6.335
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: 305
Temperature: 1.300000
Total energy: -360.990411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.990411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.990411 (E_RNA)
where:
Base-Base interactions energy: -169.663
where: short stacking energy: -92.898
Base-Backbone interact. energy: -0.406
local terms energy: -190.922305
where:
bonds (distance) C4'-P energy: -43.193
bonds (distance) P-C4' energy: -62.411
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -35.178
tors. eta vs tors. theta energy: 3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -263.270156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.270156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.270156 (E_RNA)
where:
Base-Base interactions energy: -96.923
where: short stacking energy: -72.404
Base-Backbone interact. energy: 2.034
local terms energy: -168.380648
where:
bonds (distance) C4'-P energy: -48.395
bonds (distance) P-C4' energy: -55.583
flat angles C4'-P-C4' energy: -49.491
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: 9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1163.973959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.973959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.973959 (E_RNA)
where:
Base-Base interactions energy: -806.977
where: short stacking energy: -325.245
Base-Backbone interact. energy: -0.016
local terms energy: -356.981034
where:
bonds (distance) C4'-P energy: -68.382
bonds (distance) P-C4' energy: -72.525
flat angles C4'-P-C4' energy: -65.744
flat angles P-C4'-P energy: -55.719
tors. eta vs tors. theta energy: -94.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1099.950863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.950863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.950863 (E_RNA)
where:
Base-Base interactions energy: -759.523
where: short stacking energy: -313.719
Base-Backbone interact. energy: -1.428
local terms energy: -338.999876
where:
bonds (distance) C4'-P energy: -61.642
bonds (distance) P-C4' energy: -53.361
flat angles C4'-P-C4' energy: -76.869
flat angles P-C4'-P energy: -45.075
tors. eta vs tors. theta energy: -102.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1016.291981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.291981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.291981 (E_RNA)
where:
Base-Base interactions energy: -683.628
where: short stacking energy: -279.445
Base-Backbone interact. energy: -1.281
local terms energy: -331.383489
where:
bonds (distance) C4'-P energy: -65.198
bonds (distance) P-C4' energy: -67.185
flat angles C4'-P-C4' energy: -64.828
flat angles P-C4'-P energy: -44.994
tors. eta vs tors. theta energy: -89.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -911.169109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.169109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.169109 (E_RNA)
where:
Base-Base interactions energy: -583.402
where: short stacking energy: -241.862
Base-Backbone interact. energy: -1.227
local terms energy: -326.540393
where:
bonds (distance) C4'-P energy: -59.931
bonds (distance) P-C4' energy: -75.039
flat angles C4'-P-C4' energy: -76.293
flat angles P-C4'-P energy: -44.575
tors. eta vs tors. theta energy: -70.702
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: 306
Temperature: 1.100000
Total energy: -892.663056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.663056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.663056 (E_RNA)
where:
Base-Base interactions energy: -582.119
where: short stacking energy: -252.352
Base-Backbone interact. energy: -1.757
local terms energy: -308.787900
where:
bonds (distance) C4'-P energy: -65.025
bonds (distance) P-C4' energy: -60.587
flat angles C4'-P-C4' energy: -71.266
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: -70.341
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: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -705.775712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.775712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.775712 (E_RNA)
where:
Base-Base interactions energy: -445.288
where: short stacking energy: -201.594
Base-Backbone interact. energy: -0.480
local terms energy: -260.007602
where:
bonds (distance) C4'-P energy: -50.752
bonds (distance) P-C4' energy: -61.518
flat angles C4'-P-C4' energy: -67.471
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -50.413
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: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -616.863868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.863868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.863868 (E_RNA)
where:
Base-Base interactions energy: -344.315
where: short stacking energy: -181.813
Base-Backbone interact. energy: -1.599
local terms energy: -270.949524
where:
bonds (distance) C4'-P energy: -64.394
bonds (distance) P-C4' energy: -70.452
flat angles C4'-P-C4' energy: -59.364
flat angles P-C4'-P energy: -32.441
tors. eta vs tors. theta energy: -44.299
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: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -496.831973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.831973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.831973 (E_RNA)
where:
Base-Base interactions energy: -275.842
where: short stacking energy: -129.768
Base-Backbone interact. energy: -0.587
local terms energy: -220.403150
where:
bonds (distance) C4'-P energy: -43.944
bonds (distance) P-C4' energy: -63.225
flat angles C4'-P-C4' energy: -56.857
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -21.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -375.681724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.681724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.681724 (E_RNA)
where:
Base-Base interactions energy: -185.443
where: short stacking energy: -105.259
Base-Backbone interact. energy: 0.717
local terms energy: -190.955914
where:
bonds (distance) C4'-P energy: -40.697
bonds (distance) P-C4' energy: -61.313
flat angles C4'-P-C4' energy: -55.638
flat angles P-C4'-P energy: -35.365
tors. eta vs tors. theta energy: 2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -280.506975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.506975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.506975 (E_RNA)
where:
Base-Base interactions energy: -99.722
where: short stacking energy: -68.965
Base-Backbone interact. energy: 1.361
local terms energy: -182.145897
where:
bonds (distance) C4'-P energy: -72.482
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -26.263
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: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1155.174424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.174424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.174424 (E_RNA)
where:
Base-Base interactions energy: -806.211
where: short stacking energy: -325.008
Base-Backbone interact. energy: -0.787
local terms energy: -348.175524
where:
bonds (distance) C4'-P energy: -63.531
bonds (distance) P-C4' energy: -64.947
flat angles C4'-P-C4' energy: -68.939
flat angles P-C4'-P energy: -49.071
tors. eta vs tors. theta energy: -101.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1094.344941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.344941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.344941 (E_RNA)
where:
Base-Base interactions energy: -752.710
where: short stacking energy: -302.427
Base-Backbone interact. energy: -0.096
local terms energy: -341.538122
where:
bonds (distance) C4'-P energy: -65.423
bonds (distance) P-C4' energy: -66.605
flat angles C4'-P-C4' energy: -61.925
flat angles P-C4'-P energy: -51.615
tors. eta vs tors. theta energy: -95.970
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: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -983.467769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.467769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.467769 (E_RNA)
where:
Base-Base interactions energy: -663.016
where: short stacking energy: -288.870
Base-Backbone interact. energy: -0.329
local terms energy: -320.123136
where:
bonds (distance) C4'-P energy: -58.756
bonds (distance) P-C4' energy: -62.150
flat angles C4'-P-C4' energy: -73.714
flat angles P-C4'-P energy: -43.715
tors. eta vs tors. theta energy: -81.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -929.657466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.657466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.657466 (E_RNA)
where:
Base-Base interactions energy: -619.724
where: short stacking energy: -245.904
Base-Backbone interact. energy: -1.440
local terms energy: -308.494268
where:
bonds (distance) C4'-P energy: -61.591
bonds (distance) P-C4' energy: -64.832
flat angles C4'-P-C4' energy: -66.319
flat angles P-C4'-P energy: -45.133
tors. eta vs tors. theta energy: -70.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -907.565022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.565022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.565022 (E_RNA)
where:
Base-Base interactions energy: -594.317
where: short stacking energy: -262.211
Base-Backbone interact. energy: -0.109
local terms energy: -313.138923
where:
bonds (distance) C4'-P energy: -62.182
bonds (distance) P-C4' energy: -65.414
flat angles C4'-P-C4' energy: -58.126
flat angles P-C4'-P energy: -49.969
tors. eta vs tors. theta energy: -77.448
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: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -662.863620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.863620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.863620 (E_RNA)
where:
Base-Base interactions energy: -392.041
where: short stacking energy: -190.439
Base-Backbone interact. energy: -1.181
local terms energy: -269.641182
where:
bonds (distance) C4'-P energy: -56.363
bonds (distance) P-C4' energy: -64.106
flat angles C4'-P-C4' energy: -67.716
flat angles P-C4'-P energy: -44.563
tors. eta vs tors. theta energy: -36.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -605.012713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.012713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.012713 (E_RNA)
where:
Base-Base interactions energy: -369.349
where: short stacking energy: -169.633
Base-Backbone interact. energy: -0.638
local terms energy: -235.026061
where:
bonds (distance) C4'-P energy: -52.948
bonds (distance) P-C4' energy: -62.264
flat angles C4'-P-C4' energy: -51.251
flat angles P-C4'-P energy: -33.853
tors. eta vs tors. theta energy: -34.710
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: 1
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -483.244625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.244625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.244625 (E_RNA)
where:
Base-Base interactions energy: -259.834
where: short stacking energy: -152.179
Base-Backbone interact. energy: -0.148
local terms energy: -223.261946
where:
bonds (distance) C4'-P energy: -46.560
bonds (distance) P-C4' energy: -48.868
flat angles C4'-P-C4' energy: -62.751
flat angles P-C4'-P energy: -43.158
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -358.309436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.309436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.309436 (E_RNA)
where:
Base-Base interactions energy: -162.045
where: short stacking energy: -77.910
Base-Backbone interact. energy: 2.130
local terms energy: -198.393645
where:
bonds (distance) C4'-P energy: -52.985
bonds (distance) P-C4' energy: -59.949
flat angles C4'-P-C4' energy: -55.887
flat angles P-C4'-P energy: -32.076
tors. eta vs tors. theta energy: 2.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -269.517589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.517589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.517589 (E_RNA)
where:
Base-Base interactions energy: -87.001
where: short stacking energy: -77.359
Base-Backbone interact. energy: 0.115
local terms energy: -182.631728
where:
bonds (distance) C4'-P energy: -55.250
bonds (distance) P-C4' energy: -57.297
flat angles C4'-P-C4' energy: -57.563
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: 6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1179.182036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.182036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.182036 (E_RNA)
where:
Base-Base interactions energy: -814.891
where: short stacking energy: -329.655
Base-Backbone interact. energy: -0.440
local terms energy: -363.900929
where:
bonds (distance) C4'-P energy: -63.594
bonds (distance) P-C4' energy: -73.203
flat angles C4'-P-C4' energy: -68.370
flat angles P-C4'-P energy: -59.523
tors. eta vs tors. theta energy: -99.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.050 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1100.694218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.694218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.694218 (E_RNA)
where:
Base-Base interactions energy: -742.243
where: short stacking energy: -321.030
Base-Backbone interact. energy: 0.486
local terms energy: -358.936677
where:
bonds (distance) C4'-P energy: -66.000
bonds (distance) P-C4' energy: -65.085
flat angles C4'-P-C4' energy: -79.588
flat angles P-C4'-P energy: -49.788
tors. eta vs tors. theta energy: -98.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -991.039088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.039088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.039088 (E_RNA)
where:
Base-Base interactions energy: -654.446
where: short stacking energy: -292.975
Base-Backbone interact. energy: 1.839
local terms energy: -338.432070
where:
bonds (distance) C4'-P energy: -67.512
bonds (distance) P-C4' energy: -73.333
flat angles C4'-P-C4' energy: -69.119
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -88.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -896.018710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.018710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.018710 (E_RNA)
where:
Base-Base interactions energy: -612.022
where: short stacking energy: -246.451
Base-Backbone interact. energy: -2.125
local terms energy: -281.871808
where:
bonds (distance) C4'-P energy: -65.490
bonds (distance) P-C4' energy: -62.734
flat angles C4'-P-C4' energy: -53.160
flat angles P-C4'-P energy: -29.540
tors. eta vs tors. theta energy: -70.948
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: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -918.929951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.929951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.929951 (E_RNA)
where:
Base-Base interactions energy: -607.621
where: short stacking energy: -249.901
Base-Backbone interact. energy: -0.948
local terms energy: -310.360838
where:
bonds (distance) C4'-P energy: -64.252
bonds (distance) P-C4' energy: -60.554
flat angles C4'-P-C4' energy: -63.095
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -79.389
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: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -639.142219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.142219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.142219 (E_RNA)
where:
Base-Base interactions energy: -389.246
where: short stacking energy: -177.220
Base-Backbone interact. energy: -0.385
local terms energy: -249.512009
where:
bonds (distance) C4'-P energy: -53.046
bonds (distance) P-C4' energy: -58.699
flat angles C4'-P-C4' energy: -67.352
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -33.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -600.271134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.271134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.271134 (E_RNA)
where:
Base-Base interactions energy: -372.890
where: short stacking energy: -184.453
Base-Backbone interact. energy: -0.112
local terms energy: -228.587064
where:
bonds (distance) C4'-P energy: -50.530
bonds (distance) P-C4' energy: -61.908
flat angles C4'-P-C4' energy: -41.278
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -33.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.318 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -503.349616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.349616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.349616 (E_RNA)
where:
Base-Base interactions energy: -275.824
where: short stacking energy: -133.761
Base-Backbone interact. energy: -2.040
local terms energy: -225.485681
where:
bonds (distance) C4'-P energy: -60.675
bonds (distance) P-C4' energy: -67.447
flat angles C4'-P-C4' energy: -47.844
flat angles P-C4'-P energy: -33.649
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -274.885366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.885366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.885366 (E_RNA)
where:
Base-Base interactions energy: -91.630
where: short stacking energy: -82.910
Base-Backbone interact. energy: 1.349
local terms energy: -184.605040
where:
bonds (distance) C4'-P energy: -46.841
bonds (distance) P-C4' energy: -60.552
flat angles C4'-P-C4' energy: -44.683
flat angles P-C4'-P energy: -32.946
tors. eta vs tors. theta energy: 0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -275.938487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.938487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.938487 (E_RNA)
where:
Base-Base interactions energy: -99.599
where: short stacking energy: -67.816
Base-Backbone interact. energy: -2.435
local terms energy: -173.904671
where:
bonds (distance) C4'-P energy: -54.230
bonds (distance) P-C4' energy: -56.325
flat angles C4'-P-C4' energy: -53.884
flat angles P-C4'-P energy: -22.153
tors. eta vs tors. theta energy: 12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1181.901663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.901663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.901663 (E_RNA)
where:
Base-Base interactions energy: -798.628
where: short stacking energy: -336.087
Base-Backbone interact. energy: 1.818
local terms energy: -385.091553
where:
bonds (distance) C4'-P energy: -77.196
bonds (distance) P-C4' energy: -74.442
flat angles C4'-P-C4' energy: -76.086
flat angles P-C4'-P energy: -51.382
tors. eta vs tors. theta energy: -105.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1105.005907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.005907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.005907 (E_RNA)
where:
Base-Base interactions energy: -762.929
where: short stacking energy: -322.970
Base-Backbone interact. energy: 1.033
local terms energy: -343.110264
where:
bonds (distance) C4'-P energy: -57.563
bonds (distance) P-C4' energy: -58.659
flat angles C4'-P-C4' energy: -76.053
flat angles P-C4'-P energy: -50.909
tors. eta vs tors. theta energy: -99.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -990.724591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.724591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.724591 (E_RNA)
where:
Base-Base interactions energy: -658.092
where: short stacking energy: -284.664
Base-Backbone interact. energy: -1.057
local terms energy: -331.575877
where:
bonds (distance) C4'-P energy: -67.627
bonds (distance) P-C4' energy: -60.537
flat angles C4'-P-C4' energy: -72.650
flat angles P-C4'-P energy: -45.185
tors. eta vs tors. theta energy: -85.576
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: 309
Temperature: 1.050000
Total energy: -929.497436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.497436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.497436 (E_RNA)
where:
Base-Base interactions energy: -619.439
where: short stacking energy: -259.733
Base-Backbone interact. energy: -0.630
local terms energy: -309.428892
where:
bonds (distance) C4'-P energy: -58.009
bonds (distance) P-C4' energy: -63.665
flat angles C4'-P-C4' energy: -70.142
flat angles P-C4'-P energy: -41.770
tors. eta vs tors. theta energy: -75.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -902.845509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.845509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.845509 (E_RNA)
where:
Base-Base interactions energy: -580.195
where: short stacking energy: -248.109
Base-Backbone interact. energy: -0.916
local terms energy: -321.733918
where:
bonds (distance) C4'-P energy: -64.310
bonds (distance) P-C4' energy: -68.730
flat angles C4'-P-C4' energy: -64.432
flat angles P-C4'-P energy: -46.941
tors. eta vs tors. theta energy: -77.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -699.638591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.638591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.638591 (E_RNA)
where:
Base-Base interactions energy: -442.377
where: short stacking energy: -214.738
Base-Backbone interact. energy: -0.551
local terms energy: -256.711319
where:
bonds (distance) C4'-P energy: -58.995
bonds (distance) P-C4' energy: -53.473
flat angles C4'-P-C4' energy: -54.134
flat angles P-C4'-P energy: -45.398
tors. eta vs tors. theta energy: -44.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -640.552454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.552454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.552454 (E_RNA)
where:
Base-Base interactions energy: -395.957
where: short stacking energy: -187.797
Base-Backbone interact. energy: 1.466
local terms energy: -246.061954
where:
bonds (distance) C4'-P energy: -57.965
bonds (distance) P-C4' energy: -64.873
flat angles C4'-P-C4' energy: -46.718
flat angles P-C4'-P energy: -43.910
tors. eta vs tors. theta energy: -32.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -498.124550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.124550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.124550 (E_RNA)
where:
Base-Base interactions energy: -270.548
where: short stacking energy: -122.436
Base-Backbone interact. energy: 2.204
local terms energy: -229.781023
where:
bonds (distance) C4'-P energy: -57.280
bonds (distance) P-C4' energy: -68.372
flat angles C4'-P-C4' energy: -64.984
flat angles P-C4'-P energy: -36.630
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: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -287.783004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.783004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.783004 (E_RNA)
where:
Base-Base interactions energy: -109.191
where: short stacking energy: -78.298
Base-Backbone interact. energy: 0.372
local terms energy: -178.964092
where:
bonds (distance) C4'-P energy: -51.948
bonds (distance) P-C4' energy: -50.494
flat angles C4'-P-C4' energy: -47.730
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -2.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -263.847852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.847852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.847852 (E_RNA)
where:
Base-Base interactions energy: -83.975
where: short stacking energy: -68.812
Base-Backbone interact. energy: -0.876
local terms energy: -178.997055
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -63.233
flat angles C4'-P-C4' energy: -57.492
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: 13.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1153.893079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.893079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.893079 (E_RNA)
where:
Base-Base interactions energy: -803.498
where: short stacking energy: -337.586
Base-Backbone interact. energy: -0.024
local terms energy: -351.589066
where:
bonds (distance) C4'-P energy: -57.861
bonds (distance) P-C4' energy: -68.410
flat angles C4'-P-C4' energy: -73.917
flat angles P-C4'-P energy: -51.471
tors. eta vs tors. theta energy: -99.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.219 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1087.860843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.860843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.860843 (E_RNA)
where:
Base-Base interactions energy: -744.772
where: short stacking energy: -300.263
Base-Backbone interact. energy: 1.708
local terms energy: -344.796538
where:
bonds (distance) C4'-P energy: -57.562
bonds (distance) P-C4' energy: -70.741
flat angles C4'-P-C4' energy: -74.221
flat angles P-C4'-P energy: -47.727
tors. eta vs tors. theta energy: -94.545
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: 310
Temperature: 1.000000
Total energy: -981.805515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.805515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.805515 (E_RNA)
where:
Base-Base interactions energy: -666.479
where: short stacking energy: -261.170
Base-Backbone interact. energy: -0.499
local terms energy: -314.827948
where:
bonds (distance) C4'-P energy: -61.526
bonds (distance) P-C4' energy: -72.190
flat angles C4'-P-C4' energy: -65.093
flat angles P-C4'-P energy: -52.483
tors. eta vs tors. theta energy: -63.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -976.833547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.833547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.833547 (E_RNA)
where:
Base-Base interactions energy: -656.194
where: short stacking energy: -273.376
Base-Backbone interact. energy: -0.908
local terms energy: -319.731792
where:
bonds (distance) C4'-P energy: -63.457
bonds (distance) P-C4' energy: -64.366
flat angles C4'-P-C4' energy: -68.129
flat angles P-C4'-P energy: -46.994
tors. eta vs tors. theta energy: -76.785
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: 5
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -918.629296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.629296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.629296 (E_RNA)
where:
Base-Base interactions energy: -593.959
where: short stacking energy: -263.399
Base-Backbone interact. energy: -3.272
local terms energy: -321.397694
where:
bonds (distance) C4'-P energy: -59.536
bonds (distance) P-C4' energy: -57.637
flat angles C4'-P-C4' energy: -69.852
flat angles P-C4'-P energy: -47.686
tors. eta vs tors. theta energy: -86.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -680.586592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.586592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.586592 (E_RNA)
where:
Base-Base interactions energy: -421.124
where: short stacking energy: -167.866
Base-Backbone interact. energy: -0.799
local terms energy: -258.663721
where:
bonds (distance) C4'-P energy: -54.185
bonds (distance) P-C4' energy: -64.114
flat angles C4'-P-C4' energy: -65.720
flat angles P-C4'-P energy: -40.535
tors. eta vs tors. theta energy: -34.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -627.330092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.330092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.330092 (E_RNA)
where:
Base-Base interactions energy: -359.802
where: short stacking energy: -183.469
Base-Backbone interact. energy: -0.643
local terms energy: -266.884788
where:
bonds (distance) C4'-P energy: -63.237
bonds (distance) P-C4' energy: -55.074
flat angles C4'-P-C4' energy: -58.564
flat angles P-C4'-P energy: -47.340
tors. eta vs tors. theta energy: -42.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -447.913812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.913812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.913812 (E_RNA)
where:
Base-Base interactions energy: -238.384
where: short stacking energy: -121.461
Base-Backbone interact. energy: 0.847
local terms energy: -210.377182
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -59.215
flat angles C4'-P-C4' energy: -43.154
flat angles P-C4'-P energy: -33.772
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: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -305.580493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.580493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.580493 (E_RNA)
where:
Base-Base interactions energy: -145.323
where: short stacking energy: -96.329
Base-Backbone interact. energy: 5.732
local terms energy: -165.989783
where:
bonds (distance) C4'-P energy: -58.228
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -42.785
flat angles P-C4'-P energy: -23.721
tors. eta vs tors. theta energy: 10.562
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: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -270.028123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.028123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.028123 (E_RNA)
where:
Base-Base interactions energy: -91.124
where: short stacking energy: -65.424
Base-Backbone interact. energy: -0.463
local terms energy: -178.440714
where:
bonds (distance) C4'-P energy: -48.863
bonds (distance) P-C4' energy: -65.405
flat angles C4'-P-C4' energy: -56.014
flat angles P-C4'-P energy: -28.740
tors. eta vs tors. theta energy: 20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1177.285325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.285325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.285325 (E_RNA)
where:
Base-Base interactions energy: -808.123
where: short stacking energy: -317.634
Base-Backbone interact. energy: -0.983
local terms energy: -368.179945
where:
bonds (distance) C4'-P energy: -70.063
bonds (distance) P-C4' energy: -64.019
flat angles C4'-P-C4' energy: -77.647
flat angles P-C4'-P energy: -52.615
tors. eta vs tors. theta energy: -103.836
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: 311
Temperature: 0.950000
Total energy: -1090.901412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.901412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.901412 (E_RNA)
where:
Base-Base interactions energy: -749.849
where: short stacking energy: -304.543
Base-Backbone interact. energy: -0.812
local terms energy: -340.241040
where:
bonds (distance) C4'-P energy: -66.680
bonds (distance) P-C4' energy: -64.575
flat angles C4'-P-C4' energy: -64.223
flat angles P-C4'-P energy: -54.574
tors. eta vs tors. theta energy: -90.189
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: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -981.862592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.862592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.862592 (E_RNA)
where:
Base-Base interactions energy: -646.331
where: short stacking energy: -267.145
Base-Backbone interact. energy: 0.182
local terms energy: -335.713768
where:
bonds (distance) C4'-P energy: -65.498
bonds (distance) P-C4' energy: -69.848
flat angles C4'-P-C4' energy: -73.537
flat angles P-C4'-P energy: -43.445
tors. eta vs tors. theta energy: -83.386
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: 311
Temperature: 1.050000
Total energy: -962.489566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.489566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.489566 (E_RNA)
where:
Base-Base interactions energy: -646.579
where: short stacking energy: -257.005
Base-Backbone interact. energy: 1.279
local terms energy: -317.190054
where:
bonds (distance) C4'-P energy: -55.234
bonds (distance) P-C4' energy: -64.771
flat angles C4'-P-C4' energy: -68.541
flat angles P-C4'-P energy: -54.690
tors. eta vs tors. theta energy: -73.955
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: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -934.358960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.358960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.358960 (E_RNA)
where:
Base-Base interactions energy: -623.701
where: short stacking energy: -270.949
Base-Backbone interact. energy: -1.710
local terms energy: -308.947658
where:
bonds (distance) C4'-P energy: -64.821
bonds (distance) P-C4' energy: -62.587
flat angles C4'-P-C4' energy: -62.400
flat angles P-C4'-P energy: -47.335
tors. eta vs tors. theta energy: -71.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -716.148404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.148404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.148404 (E_RNA)
where:
Base-Base interactions energy: -451.135
where: short stacking energy: -191.851
Base-Backbone interact. energy: -0.603
local terms energy: -264.411004
where:
bonds (distance) C4'-P energy: -59.858
bonds (distance) P-C4' energy: -61.406
flat angles C4'-P-C4' energy: -59.808
flat angles P-C4'-P energy: -37.501
tors. eta vs tors. theta energy: -45.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -640.991719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.991719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.991719 (E_RNA)
where:
Base-Base interactions energy: -386.587
where: short stacking energy: -175.862
Base-Backbone interact. energy: -0.452
local terms energy: -253.952536
where:
bonds (distance) C4'-P energy: -54.932
bonds (distance) P-C4' energy: -61.231
flat angles C4'-P-C4' energy: -52.530
flat angles P-C4'-P energy: -44.827
tors. eta vs tors. theta energy: -40.432
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: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -472.432510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.432510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.432510 (E_RNA)
where:
Base-Base interactions energy: -247.216
where: short stacking energy: -156.000
Base-Backbone interact. energy: 1.611
local terms energy: -226.827649
where:
bonds (distance) C4'-P energy: -62.868
bonds (distance) P-C4' energy: -49.465
flat angles C4'-P-C4' energy: -54.315
flat angles P-C4'-P energy: -37.096
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -293.000982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.000982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.000982 (E_RNA)
where:
Base-Base interactions energy: -102.398
where: short stacking energy: -63.113
Base-Backbone interact. energy: -0.599
local terms energy: -190.003856
where:
bonds (distance) C4'-P energy: -58.006
bonds (distance) P-C4' energy: -51.234
flat angles C4'-P-C4' energy: -59.076
flat angles P-C4'-P energy: -27.050
tors. eta vs tors. theta energy: 5.362
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: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -285.367913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.367913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.367913 (E_RNA)
where:
Base-Base interactions energy: -116.417
where: short stacking energy: -70.194
Base-Backbone interact. energy: -1.887
local terms energy: -167.063275
where:
bonds (distance) C4'-P energy: -59.027
bonds (distance) P-C4' energy: -61.243
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -22.302
tors. eta vs tors. theta energy: 13.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1164.887979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.887979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.887979 (E_RNA)
where:
Base-Base interactions energy: -810.833
where: short stacking energy: -333.180
Base-Backbone interact. energy: -0.537
local terms energy: -353.517569
where:
bonds (distance) C4'-P energy: -67.603
bonds (distance) P-C4' energy: -67.546
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -43.604
tors. eta vs tors. theta energy: -102.118
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: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1095.353240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.353240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.353240 (E_RNA)
where:
Base-Base interactions energy: -749.274
where: short stacking energy: -323.502
Base-Backbone interact. energy: -0.169
local terms energy: -345.910238
where:
bonds (distance) C4'-P energy: -57.419
bonds (distance) P-C4' energy: -70.332
flat angles C4'-P-C4' energy: -60.458
flat angles P-C4'-P energy: -58.053
tors. eta vs tors. theta energy: -99.647
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: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -968.582468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.582468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.582468 (E_RNA)
where:
Base-Base interactions energy: -657.287
where: short stacking energy: -268.343
Base-Backbone interact. energy: -0.972
local terms energy: -310.322937
where:
bonds (distance) C4'-P energy: -61.691
bonds (distance) P-C4' energy: -63.274
flat angles C4'-P-C4' energy: -70.611
flat angles P-C4'-P energy: -44.094
tors. eta vs tors. theta energy: -70.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -974.078119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.078119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.078119 (E_RNA)
where:
Base-Base interactions energy: -648.221
where: short stacking energy: -272.040
Base-Backbone interact. energy: 0.921
local terms energy: -326.778437
where:
bonds (distance) C4'-P energy: -61.457
bonds (distance) P-C4' energy: -63.766
flat angles C4'-P-C4' energy: -74.410
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -80.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -895.548515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.548515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.548515 (E_RNA)
where:
Base-Base interactions energy: -589.913
where: short stacking energy: -248.218
Base-Backbone interact. energy: -1.605
local terms energy: -304.029549
where:
bonds (distance) C4'-P energy: -56.357
bonds (distance) P-C4' energy: -69.364
flat angles C4'-P-C4' energy: -66.280
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: -75.359
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: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -704.538189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.538189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.538189 (E_RNA)
where:
Base-Base interactions energy: -421.418
where: short stacking energy: -182.287
Base-Backbone interact. energy: -1.472
local terms energy: -281.648204
where:
bonds (distance) C4'-P energy: -62.326
bonds (distance) P-C4' energy: -66.444
flat angles C4'-P-C4' energy: -64.992
flat angles P-C4'-P energy: -39.137
tors. eta vs tors. theta energy: -48.748
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: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -657.113098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.113098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.113098 (E_RNA)
where:
Base-Base interactions energy: -385.274
where: short stacking energy: -185.769
Base-Backbone interact. energy: -0.262
local terms energy: -271.576609
where:
bonds (distance) C4'-P energy: -61.583
bonds (distance) P-C4' energy: -71.555
flat angles C4'-P-C4' energy: -62.628
flat angles P-C4'-P energy: -35.527
tors. eta vs tors. theta energy: -40.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -431.077526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.077526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.077526 (E_RNA)
where:
Base-Base interactions energy: -225.752
where: short stacking energy: -111.539
Base-Backbone interact. energy: -1.081
local terms energy: -204.244494
where:
bonds (distance) C4'-P energy: -59.575
bonds (distance) P-C4' energy: -62.402
flat angles C4'-P-C4' energy: -45.004
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -313.009529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.009529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.009529 (E_RNA)
where:
Base-Base interactions energy: -116.799
where: short stacking energy: -83.329
Base-Backbone interact. energy: -0.851
local terms energy: -195.359432
where:
bonds (distance) C4'-P energy: -55.620
bonds (distance) P-C4' energy: -57.681
flat angles C4'-P-C4' energy: -57.184
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: 12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -258.930200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.930200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.930200 (E_RNA)
where:
Base-Base interactions energy: -77.940
where: short stacking energy: -73.149
Base-Backbone interact. energy: -0.382
local terms energy: -180.608852
where:
bonds (distance) C4'-P energy: -51.893
bonds (distance) P-C4' energy: -59.430
flat angles C4'-P-C4' energy: -49.233
flat angles P-C4'-P energy: -26.177
tors. eta vs tors. theta energy: 6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1151.388865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.388865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.388865 (E_RNA)
where:
Base-Base interactions energy: -804.013
where: short stacking energy: -327.714
Base-Backbone interact. energy: 0.159
local terms energy: -347.534385
where:
bonds (distance) C4'-P energy: -60.650
bonds (distance) P-C4' energy: -68.428
flat angles C4'-P-C4' energy: -67.370
flat angles P-C4'-P energy: -47.017
tors. eta vs tors. theta energy: -104.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1083.685821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.685821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.685821 (E_RNA)
where:
Base-Base interactions energy: -730.037
where: short stacking energy: -302.972
Base-Backbone interact. energy: -0.861
local terms energy: -352.787899
where:
bonds (distance) C4'-P energy: -60.739
bonds (distance) P-C4' energy: -70.061
flat angles C4'-P-C4' energy: -70.442
flat angles P-C4'-P energy: -54.070
tors. eta vs tors. theta energy: -97.476
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: 313
Temperature: 1.000000
Total energy: -993.829039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.829039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.829039 (E_RNA)
where:
Base-Base interactions energy: -680.698
where: short stacking energy: -280.333
Base-Backbone interact. energy: -3.205
local terms energy: -309.926956
where:
bonds (distance) C4'-P energy: -57.536
bonds (distance) P-C4' energy: -61.778
flat angles C4'-P-C4' energy: -65.524
flat angles P-C4'-P energy: -41.606
tors. eta vs tors. theta energy: -83.483
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: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -906.545938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.545938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.545938 (E_RNA)
where:
Base-Base interactions energy: -604.228
where: short stacking energy: -241.934
Base-Backbone interact. energy: -0.895
local terms energy: -301.422416
where:
bonds (distance) C4'-P energy: -63.923
bonds (distance) P-C4' energy: -64.317
flat angles C4'-P-C4' energy: -61.381
flat angles P-C4'-P energy: -45.516
tors. eta vs tors. theta energy: -66.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -938.354401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.354401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.354401 (E_RNA)
where:
Base-Base interactions energy: -623.647
where: short stacking energy: -266.008
Base-Backbone interact. energy: -2.577
local terms energy: -312.131147
where:
bonds (distance) C4'-P energy: -48.628
bonds (distance) P-C4' energy: -68.533
flat angles C4'-P-C4' energy: -70.091
flat angles P-C4'-P energy: -41.824
tors. eta vs tors. theta energy: -83.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -735.270621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.270621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.270621 (E_RNA)
where:
Base-Base interactions energy: -463.493
where: short stacking energy: -187.924
Base-Backbone interact. energy: 0.980
local terms energy: -272.757024
where:
bonds (distance) C4'-P energy: -58.440
bonds (distance) P-C4' energy: -68.894
flat angles C4'-P-C4' energy: -62.704
flat angles P-C4'-P energy: -33.044
tors. eta vs tors. theta energy: -49.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -629.205810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.205810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.205810 (E_RNA)
where:
Base-Base interactions energy: -383.380
where: short stacking energy: -172.329
Base-Backbone interact. energy: -1.946
local terms energy: -243.880379
where:
bonds (distance) C4'-P energy: -57.897
bonds (distance) P-C4' energy: -52.965
flat angles C4'-P-C4' energy: -50.488
flat angles P-C4'-P energy: -41.916
tors. eta vs tors. theta energy: -40.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -467.934818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.934818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.934818 (E_RNA)
where:
Base-Base interactions energy: -252.645
where: short stacking energy: -144.618
Base-Backbone interact. energy: -0.350
local terms energy: -214.939420
where:
bonds (distance) C4'-P energy: -55.351
bonds (distance) P-C4' energy: -58.298
flat angles C4'-P-C4' energy: -54.955
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -295.566204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.566204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.566204 (E_RNA)
where:
Base-Base interactions energy: -91.744
where: short stacking energy: -87.962
Base-Backbone interact. energy: -2.821
local terms energy: -201.001968
where:
bonds (distance) C4'-P energy: -65.747
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -53.282
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: 2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -287.773660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.773660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.773660 (E_RNA)
where:
Base-Base interactions energy: -113.599
where: short stacking energy: -87.418
Base-Backbone interact. energy: -0.287
local terms energy: -173.887649
where:
bonds (distance) C4'-P energy: -53.434
bonds (distance) P-C4' energy: -54.376
flat angles C4'-P-C4' energy: -47.992
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: 9.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1133.901741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.901741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.901741 (E_RNA)
where:
Base-Base interactions energy: -778.976
where: short stacking energy: -323.621
Base-Backbone interact. energy: -0.409
local terms energy: -354.517204
where:
bonds (distance) C4'-P energy: -65.608
bonds (distance) P-C4' energy: -72.482
flat angles C4'-P-C4' energy: -75.236
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -97.142
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: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1123.935494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.935494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.935494 (E_RNA)
where:
Base-Base interactions energy: -751.151
where: short stacking energy: -308.247
Base-Backbone interact. energy: -0.892
local terms energy: -372.622401
where:
bonds (distance) C4'-P energy: -72.096
bonds (distance) P-C4' energy: -65.775
flat angles C4'-P-C4' energy: -81.646
flat angles P-C4'-P energy: -49.304
tors. eta vs tors. theta energy: -103.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.730 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1020.076931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.076931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.076931 (E_RNA)
where:
Base-Base interactions energy: -688.029
where: short stacking energy: -276.352
Base-Backbone interact. energy: -1.188
local terms energy: -330.860003
where:
bonds (distance) C4'-P energy: -67.385
bonds (distance) P-C4' energy: -60.332
flat angles C4'-P-C4' energy: -76.824
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -81.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -956.081216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.081216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.081216 (E_RNA)
where:
Base-Base interactions energy: -622.347
where: short stacking energy: -275.703
Base-Backbone interact. energy: -1.812
local terms energy: -331.922441
where:
bonds (distance) C4'-P energy: -67.167
bonds (distance) P-C4' energy: -70.615
flat angles C4'-P-C4' energy: -72.737
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -83.875
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: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -945.171817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.171817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.171817 (E_RNA)
where:
Base-Base interactions energy: -633.742
where: short stacking energy: -268.167
Base-Backbone interact. energy: -0.938
local terms energy: -310.492517
where:
bonds (distance) C4'-P energy: -59.374
bonds (distance) P-C4' energy: -66.689
flat angles C4'-P-C4' energy: -56.627
flat angles P-C4'-P energy: -51.110
tors. eta vs tors. theta energy: -76.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -690.708296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.708296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.708296 (E_RNA)
where:
Base-Base interactions energy: -428.128
where: short stacking energy: -201.737
Base-Backbone interact. energy: -0.764
local terms energy: -261.816462
where:
bonds (distance) C4'-P energy: -47.118
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -59.568
flat angles P-C4'-P energy: -48.817
tors. eta vs tors. theta energy: -55.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -684.405441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.405441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.405441 (E_RNA)
where:
Base-Base interactions energy: -430.702
where: short stacking energy: -197.355
Base-Backbone interact. energy: -0.969
local terms energy: -252.734340
where:
bonds (distance) C4'-P energy: -53.080
bonds (distance) P-C4' energy: -53.176
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -37.328
tors. eta vs tors. theta energy: -48.150
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: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -457.500576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.500576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.500576 (E_RNA)
where:
Base-Base interactions energy: -223.612
where: short stacking energy: -123.127
Base-Backbone interact. energy: -1.126
local terms energy: -232.762510
where:
bonds (distance) C4'-P energy: -65.325
bonds (distance) P-C4' energy: -72.192
flat angles C4'-P-C4' energy: -51.896
flat angles P-C4'-P energy: -31.982
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: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -286.266128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.266128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.266128 (E_RNA)
where:
Base-Base interactions energy: -96.838
where: short stacking energy: -78.059
Base-Backbone interact. energy: -0.016
local terms energy: -189.412204
where:
bonds (distance) C4'-P energy: -53.228
bonds (distance) P-C4' energy: -59.906
flat angles C4'-P-C4' energy: -47.770
flat angles P-C4'-P energy: -31.924
tors. eta vs tors. theta energy: 3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -261.937088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.937088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.937088 (E_RNA)
where:
Base-Base interactions energy: -75.863
where: short stacking energy: -71.984
Base-Backbone interact. energy: 0.544
local terms energy: -186.617379
where:
bonds (distance) C4'-P energy: -56.646
bonds (distance) P-C4' energy: -66.583
flat angles C4'-P-C4' energy: -34.227
flat angles P-C4'-P energy: -32.083
tors. eta vs tors. theta energy: 2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1165.916067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.916067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.916067 (E_RNA)
where:
Base-Base interactions energy: -799.708
where: short stacking energy: -312.762
Base-Backbone interact. energy: -0.871
local terms energy: -365.336778
where:
bonds (distance) C4'-P energy: -69.290
bonds (distance) P-C4' energy: -71.358
flat angles C4'-P-C4' energy: -72.539
flat angles P-C4'-P energy: -47.820
tors. eta vs tors. theta energy: -104.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1089.894263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.894263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.894263 (E_RNA)
where:
Base-Base interactions energy: -752.415
where: short stacking energy: -309.865
Base-Backbone interact. energy: 3.396
local terms energy: -340.875367
where:
bonds (distance) C4'-P energy: -48.149
bonds (distance) P-C4' energy: -71.133
flat angles C4'-P-C4' energy: -66.043
flat angles P-C4'-P energy: -60.408
tors. eta vs tors. theta energy: -95.143
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: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1005.314505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.314505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.314505 (E_RNA)
where:
Base-Base interactions energy: -688.306
where: short stacking energy: -287.783
Base-Backbone interact. energy: 0.378
local terms energy: -317.385761
where:
bonds (distance) C4'-P energy: -65.744
bonds (distance) P-C4' energy: -57.275
flat angles C4'-P-C4' energy: -70.170
flat angles P-C4'-P energy: -46.620
tors. eta vs tors. theta energy: -77.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -934.663418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.663418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.663418 (E_RNA)
where:
Base-Base interactions energy: -628.056
where: short stacking energy: -279.694
Base-Backbone interact. energy: -0.778
local terms energy: -305.829533
where:
bonds (distance) C4'-P energy: -63.392
bonds (distance) P-C4' energy: -60.513
flat angles C4'-P-C4' energy: -73.078
flat angles P-C4'-P energy: -37.606
tors. eta vs tors. theta energy: -71.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -937.477303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.477303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.477303 (E_RNA)
where:
Base-Base interactions energy: -621.758
where: short stacking energy: -252.877
Base-Backbone interact. energy: -0.590
local terms energy: -315.128722
where:
bonds (distance) C4'-P energy: -55.924
bonds (distance) P-C4' energy: -70.270
flat angles C4'-P-C4' energy: -68.876
flat angles P-C4'-P energy: -43.709
tors. eta vs tors. theta energy: -76.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -715.263062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.263062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.263062 (E_RNA)
where:
Base-Base interactions energy: -445.307
where: short stacking energy: -207.401
Base-Backbone interact. energy: -0.528
local terms energy: -269.428562
where:
bonds (distance) C4'-P energy: -53.408
bonds (distance) P-C4' energy: -63.925
flat angles C4'-P-C4' energy: -60.209
flat angles P-C4'-P energy: -36.296
tors. eta vs tors. theta energy: -55.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -607.735044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.735044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.735044 (E_RNA)
where:
Base-Base interactions energy: -357.007
where: short stacking energy: -172.138
Base-Backbone interact. energy: -1.208
local terms energy: -249.520408
where:
bonds (distance) C4'-P energy: -48.327
bonds (distance) P-C4' energy: -64.009
flat angles C4'-P-C4' energy: -58.386
flat angles P-C4'-P energy: -38.516
tors. eta vs tors. theta energy: -40.283
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: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -426.879001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.879001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.879001 (E_RNA)
where:
Base-Base interactions energy: -235.666
where: short stacking energy: -122.767
Base-Backbone interact. energy: -0.967
local terms energy: -190.245562
where:
bonds (distance) C4'-P energy: -41.039
bonds (distance) P-C4' energy: -63.038
flat angles C4'-P-C4' energy: -44.610
flat angles P-C4'-P energy: -37.761
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -290.893372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.893372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.893372 (E_RNA)
where:
Base-Base interactions energy: -119.000
where: short stacking energy: -77.669
Base-Backbone interact. energy: -1.876
local terms energy: -170.016878
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -63.518
flat angles C4'-P-C4' energy: -43.574
flat angles P-C4'-P energy: -30.448
tors. eta vs tors. theta energy: 16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -291.839159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.839159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.839159 (E_RNA)
where:
Base-Base interactions energy: -95.679
where: short stacking energy: -80.177
Base-Backbone interact. energy: -1.636
local terms energy: -194.524210
where:
bonds (distance) C4'-P energy: -61.425
bonds (distance) P-C4' energy: -55.172
flat angles C4'-P-C4' energy: -45.456
flat angles P-C4'-P energy: -36.000
tors. eta vs tors. theta energy: 3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1130.148425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.148425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.148425 (E_RNA)
where:
Base-Base interactions energy: -767.910
where: short stacking energy: -306.907
Base-Backbone interact. energy: -1.499
local terms energy: -360.740195
where:
bonds (distance) C4'-P energy: -62.153
bonds (distance) P-C4' energy: -68.386
flat angles C4'-P-C4' energy: -74.173
flat angles P-C4'-P energy: -50.899
tors. eta vs tors. theta energy: -105.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1112.477305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.477305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.477305 (E_RNA)
where:
Base-Base interactions energy: -756.789
where: short stacking energy: -308.724
Base-Backbone interact. energy: -1.560
local terms energy: -354.128317
where:
bonds (distance) C4'-P energy: -72.339
bonds (distance) P-C4' energy: -64.937
flat angles C4'-P-C4' energy: -67.826
flat angles P-C4'-P energy: -56.150
tors. eta vs tors. theta energy: -92.876
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: 3
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1005.853099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.853099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.853099 (E_RNA)
where:
Base-Base interactions energy: -660.156
where: short stacking energy: -274.957
Base-Backbone interact. energy: -2.249
local terms energy: -343.448661
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -68.514
flat angles C4'-P-C4' energy: -76.690
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -92.078
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: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -929.707321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.707321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.707321 (E_RNA)
where:
Base-Base interactions energy: -611.535
where: short stacking energy: -256.914
Base-Backbone interact. energy: -0.531
local terms energy: -317.640913
where:
bonds (distance) C4'-P energy: -61.833
bonds (distance) P-C4' energy: -59.601
flat angles C4'-P-C4' energy: -62.222
flat angles P-C4'-P energy: -49.453
tors. eta vs tors. theta energy: -84.532
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: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -892.307601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.307601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.307601 (E_RNA)
where:
Base-Base interactions energy: -607.244
where: short stacking energy: -225.015
Base-Backbone interact. energy: 0.144
local terms energy: -285.207471
where:
bonds (distance) C4'-P energy: -59.131
bonds (distance) P-C4' energy: -61.310
flat angles C4'-P-C4' energy: -68.443
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: -53.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -686.452520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.452520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.452520 (E_RNA)
where:
Base-Base interactions energy: -430.810
where: short stacking energy: -214.084
Base-Backbone interact. energy: -0.710
local terms energy: -254.932854
where:
bonds (distance) C4'-P energy: -65.876
bonds (distance) P-C4' energy: -54.539
flat angles C4'-P-C4' energy: -51.834
flat angles P-C4'-P energy: -27.952
tors. eta vs tors. theta energy: -54.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -596.303814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.303814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.303814 (E_RNA)
where:
Base-Base interactions energy: -339.170
where: short stacking energy: -161.328
Base-Backbone interact. energy: -1.518
local terms energy: -255.615755
where:
bonds (distance) C4'-P energy: -59.567
bonds (distance) P-C4' energy: -63.055
flat angles C4'-P-C4' energy: -60.264
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -31.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -461.085790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.085790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.085790 (E_RNA)
where:
Base-Base interactions energy: -229.488
where: short stacking energy: -139.523
Base-Backbone interact. energy: -2.346
local terms energy: -229.251905
where:
bonds (distance) C4'-P energy: -62.581
bonds (distance) P-C4' energy: -64.506
flat angles C4'-P-C4' energy: -48.245
flat angles P-C4'-P energy: -26.672
tors. eta vs tors. theta energy: -27.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -279.557410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.557410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.557410 (E_RNA)
where:
Base-Base interactions energy: -82.016
where: short stacking energy: -80.832
Base-Backbone interact. energy: -1.000
local terms energy: -196.541224
where:
bonds (distance) C4'-P energy: -61.767
bonds (distance) P-C4' energy: -63.643
flat angles C4'-P-C4' energy: -47.661
flat angles P-C4'-P energy: -32.069
tors. eta vs tors. theta energy: 8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -288.849570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.849570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.849570 (E_RNA)
where:
Base-Base interactions energy: -100.459
where: short stacking energy: -67.733
Base-Backbone interact. energy: -0.807
local terms energy: -187.583384
where:
bonds (distance) C4'-P energy: -54.572
bonds (distance) P-C4' energy: -63.780
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -29.228
tors. eta vs tors. theta energy: 10.785
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: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1150.906766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.906766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.906766 (E_RNA)
where:
Base-Base interactions energy: -777.315
where: short stacking energy: -315.928
Base-Backbone interact. energy: -0.977
local terms energy: -374.697639
where:
bonds (distance) C4'-P energy: -64.778
bonds (distance) P-C4' energy: -75.316
flat angles C4'-P-C4' energy: -75.196
flat angles P-C4'-P energy: -58.209
tors. eta vs tors. theta energy: -101.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.083 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1094.698175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.698175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.698175 (E_RNA)
where:
Base-Base interactions energy: -736.332
where: short stacking energy: -293.730
Base-Backbone interact. energy: 1.079
local terms energy: -359.445385
where:
bonds (distance) C4'-P energy: -66.358
bonds (distance) P-C4' energy: -70.655
flat angles C4'-P-C4' energy: -74.415
flat angles P-C4'-P energy: -46.569
tors. eta vs tors. theta energy: -101.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1000.255531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.255531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.255531 (E_RNA)
where:
Base-Base interactions energy: -664.226
where: short stacking energy: -271.036
Base-Backbone interact. energy: 0.029
local terms energy: -336.058566
where:
bonds (distance) C4'-P energy: -62.759
bonds (distance) P-C4' energy: -65.777
flat angles C4'-P-C4' energy: -72.682
flat angles P-C4'-P energy: -53.258
tors. eta vs tors. theta energy: -81.583
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: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -944.362279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.362279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.362279 (E_RNA)
where:
Base-Base interactions energy: -628.568
where: short stacking energy: -267.369
Base-Backbone interact. energy: -0.008
local terms energy: -315.785671
where:
bonds (distance) C4'-P energy: -61.551
bonds (distance) P-C4' energy: -61.540
flat angles C4'-P-C4' energy: -68.773
flat angles P-C4'-P energy: -47.592
tors. eta vs tors. theta energy: -76.331
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: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -885.180276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.180276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.180276 (E_RNA)
where:
Base-Base interactions energy: -580.847
where: short stacking energy: -239.598
Base-Backbone interact. energy: -1.018
local terms energy: -303.314729
where:
bonds (distance) C4'-P energy: -53.274
bonds (distance) P-C4' energy: -67.755
flat angles C4'-P-C4' energy: -64.407
flat angles P-C4'-P energy: -37.720
tors. eta vs tors. theta energy: -80.158
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: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -598.403507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.403507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.403507 (E_RNA)
where:
Base-Base interactions energy: -324.203
where: short stacking energy: -182.800
Base-Backbone interact. energy: -1.074
local terms energy: -273.126485
where:
bonds (distance) C4'-P energy: -69.661
bonds (distance) P-C4' energy: -63.218
flat angles C4'-P-C4' energy: -64.414
flat angles P-C4'-P energy: -46.991
tors. eta vs tors. theta energy: -28.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -703.581894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.581894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.581894 (E_RNA)
where:
Base-Base interactions energy: -430.623
where: short stacking energy: -215.634
Base-Backbone interact. energy: 1.559
local terms energy: -274.517073
where:
bonds (distance) C4'-P energy: -66.558
bonds (distance) P-C4' energy: -48.437
flat angles C4'-P-C4' energy: -60.199
flat angles P-C4'-P energy: -42.186
tors. eta vs tors. theta energy: -57.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -456.869782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.869782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.869782 (E_RNA)
where:
Base-Base interactions energy: -247.397
where: short stacking energy: -125.847
Base-Backbone interact. energy: -0.108
local terms energy: -209.364624
where:
bonds (distance) C4'-P energy: -48.520
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -269.893782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.893782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.893782 (E_RNA)
where:
Base-Base interactions energy: -96.885
where: short stacking energy: -81.862
Base-Backbone interact. energy: 2.314
local terms energy: -175.322739
where:
bonds (distance) C4'-P energy: -61.305
bonds (distance) P-C4' energy: -61.541
flat angles C4'-P-C4' energy: -35.134
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: 6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -274.751348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.751348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.751348 (E_RNA)
where:
Base-Base interactions energy: -114.952
where: short stacking energy: -82.844
Base-Backbone interact. energy: 0.140
local terms energy: -159.939438
where:
bonds (distance) C4'-P energy: -53.030
bonds (distance) P-C4' energy: -47.783
flat angles C4'-P-C4' energy: -48.327
flat angles P-C4'-P energy: -28.442
tors. eta vs tors. theta energy: 17.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1150.271474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.271474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.271474 (E_RNA)
where:
Base-Base interactions energy: -800.988
where: short stacking energy: -339.818
Base-Backbone interact. energy: -2.944
local terms energy: -346.339998
where:
bonds (distance) C4'-P energy: -67.617
bonds (distance) P-C4' energy: -60.726
flat angles C4'-P-C4' energy: -72.720
flat angles P-C4'-P energy: -40.946
tors. eta vs tors. theta energy: -104.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1092.409579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.409579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.409579 (E_RNA)
where:
Base-Base interactions energy: -749.401
where: short stacking energy: -299.215
Base-Backbone interact. energy: -0.309
local terms energy: -343.009420
where:
bonds (distance) C4'-P energy: -61.047
bonds (distance) P-C4' energy: -63.133
flat angles C4'-P-C4' energy: -78.601
flat angles P-C4'-P energy: -50.215
tors. eta vs tors. theta energy: -90.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.310 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1005.006368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.006368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.006368 (E_RNA)
where:
Base-Base interactions energy: -679.521
where: short stacking energy: -279.203
Base-Backbone interact. energy: -0.436
local terms energy: -325.049159
where:
bonds (distance) C4'-P energy: -57.705
bonds (distance) P-C4' energy: -69.183
flat angles C4'-P-C4' energy: -71.648
flat angles P-C4'-P energy: -46.029
tors. eta vs tors. theta energy: -80.484
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: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -944.410766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.410766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.410766 (E_RNA)
where:
Base-Base interactions energy: -644.640
where: short stacking energy: -264.359
Base-Backbone interact. energy: -1.471
local terms energy: -298.299040
where:
bonds (distance) C4'-P energy: -58.909
bonds (distance) P-C4' energy: -57.208
flat angles C4'-P-C4' energy: -67.939
flat angles P-C4'-P energy: -39.981
tors. eta vs tors. theta energy: -74.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -806.326927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.326927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.326927 (E_RNA)
where:
Base-Base interactions energy: -525.374
where: short stacking energy: -226.368
Base-Backbone interact. energy: -2.539
local terms energy: -278.413748
where:
bonds (distance) C4'-P energy: -58.601
bonds (distance) P-C4' energy: -66.474
flat angles C4'-P-C4' energy: -66.096
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -49.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -624.141493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.141493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.141493 (E_RNA)
where:
Base-Base interactions energy: -357.707
where: short stacking energy: -166.800
Base-Backbone interact. energy: 1.188
local terms energy: -267.621701
where:
bonds (distance) C4'-P energy: -68.598
bonds (distance) P-C4' energy: -70.350
flat angles C4'-P-C4' energy: -59.877
flat angles P-C4'-P energy: -30.107
tors. eta vs tors. theta energy: -38.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -687.228200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.228200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.228200 (E_RNA)
where:
Base-Base interactions energy: -432.302
where: short stacking energy: -199.836
Base-Backbone interact. energy: -1.243
local terms energy: -253.683994
where:
bonds (distance) C4'-P energy: -51.250
bonds (distance) P-C4' energy: -55.118
flat angles C4'-P-C4' energy: -64.938
flat angles P-C4'-P energy: -36.610
tors. eta vs tors. theta energy: -45.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -510.413063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.413063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.413063 (E_RNA)
where:
Base-Base interactions energy: -308.515
where: short stacking energy: -157.867
Base-Backbone interact. energy: 2.148
local terms energy: -204.046373
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -69.979
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -20.425
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -297.376110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.376110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.376110 (E_RNA)
where:
Base-Base interactions energy: -107.996
where: short stacking energy: -100.995
Base-Backbone interact. energy: 0.327
local terms energy: -189.707206
where:
bonds (distance) C4'-P energy: -55.731
bonds (distance) P-C4' energy: -59.605
flat angles C4'-P-C4' energy: -51.185
flat angles P-C4'-P energy: -22.968
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: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -294.372146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.372146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.372146 (E_RNA)
where:
Base-Base interactions energy: -103.461
where: short stacking energy: -62.720
Base-Backbone interact. energy: -0.724
local terms energy: -190.187201
where:
bonds (distance) C4'-P energy: -59.623
bonds (distance) P-C4' energy: -50.520
flat angles C4'-P-C4' energy: -45.758
flat angles P-C4'-P energy: -39.740
tors. eta vs tors. theta energy: 5.453
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: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1136.171253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.171253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.171253 (E_RNA)
where:
Base-Base interactions energy: -789.905
where: short stacking energy: -309.190
Base-Backbone interact. energy: -1.000
local terms energy: -345.266279
where:
bonds (distance) C4'-P energy: -55.435
bonds (distance) P-C4' energy: -69.547
flat angles C4'-P-C4' energy: -73.333
flat angles P-C4'-P energy: -44.167
tors. eta vs tors. theta energy: -102.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1097.388900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.388900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.388900 (E_RNA)
where:
Base-Base interactions energy: -762.818
where: short stacking energy: -300.465
Base-Backbone interact. energy: -0.834
local terms energy: -333.736406
where:
bonds (distance) C4'-P energy: -69.524
bonds (distance) P-C4' energy: -65.876
flat angles C4'-P-C4' energy: -61.385
flat angles P-C4'-P energy: -40.645
tors. eta vs tors. theta energy: -96.306
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: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1030.473004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.473004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.473004 (E_RNA)
where:
Base-Base interactions energy: -701.611
where: short stacking energy: -269.676
Base-Backbone interact. energy: -0.529
local terms energy: -328.333624
where:
bonds (distance) C4'-P energy: -58.077
bonds (distance) P-C4' energy: -71.154
flat angles C4'-P-C4' energy: -69.896
flat angles P-C4'-P energy: -42.177
tors. eta vs tors. theta energy: -87.029
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: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -915.955647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.955647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.955647 (E_RNA)
where:
Base-Base interactions energy: -622.280
where: short stacking energy: -251.574
Base-Backbone interact. energy: -1.319
local terms energy: -292.356866
where:
bonds (distance) C4'-P energy: -61.045
bonds (distance) P-C4' energy: -55.062
flat angles C4'-P-C4' energy: -75.088
flat angles P-C4'-P energy: -36.088
tors. eta vs tors. theta energy: -65.074
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: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -865.188527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.188527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.188527 (E_RNA)
where:
Base-Base interactions energy: -579.588
where: short stacking energy: -256.428
Base-Backbone interact. energy: -1.167
local terms energy: -284.433663
where:
bonds (distance) C4'-P energy: -62.152
bonds (distance) P-C4' energy: -58.992
flat angles C4'-P-C4' energy: -57.710
flat angles P-C4'-P energy: -36.713
tors. eta vs tors. theta energy: -68.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -682.902423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.902423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.902423 (E_RNA)
where:
Base-Base interactions energy: -405.748
where: short stacking energy: -189.116
Base-Backbone interact. energy: 2.792
local terms energy: -279.947065
where:
bonds (distance) C4'-P energy: -65.304
bonds (distance) P-C4' energy: -65.043
flat angles C4'-P-C4' energy: -60.588
flat angles P-C4'-P energy: -42.262
tors. eta vs tors. theta energy: -46.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -557.614670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.614670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.614670 (E_RNA)
where:
Base-Base interactions energy: -323.118
where: short stacking energy: -162.875
Base-Backbone interact. energy: -0.670
local terms energy: -233.826824
where:
bonds (distance) C4'-P energy: -53.377
bonds (distance) P-C4' energy: -49.004
flat angles C4'-P-C4' energy: -71.055
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -28.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -520.360457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.360457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.360457 (E_RNA)
where:
Base-Base interactions energy: -296.650
where: short stacking energy: -138.729
Base-Backbone interact. energy: 1.190
local terms energy: -224.899667
where:
bonds (distance) C4'-P energy: -53.613
bonds (distance) P-C4' energy: -54.668
flat angles C4'-P-C4' energy: -70.095
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -289.692865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.692865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.692865 (E_RNA)
where:
Base-Base interactions energy: -123.624
where: short stacking energy: -85.926
Base-Backbone interact. energy: -2.168
local terms energy: -163.900612
where:
bonds (distance) C4'-P energy: -43.943
bonds (distance) P-C4' energy: -52.949
flat angles C4'-P-C4' energy: -42.741
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: 6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -271.910759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.910759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.910759 (E_RNA)
where:
Base-Base interactions energy: -92.929
where: short stacking energy: -74.056
Base-Backbone interact. energy: -1.222
local terms energy: -177.760359
where:
bonds (distance) C4'-P energy: -49.074
bonds (distance) P-C4' energy: -64.079
flat angles C4'-P-C4' energy: -54.837
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: 7.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1162.963389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.963389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.963389 (E_RNA)
where:
Base-Base interactions energy: -796.710
where: short stacking energy: -322.369
Base-Backbone interact. energy: -0.248
local terms energy: -366.006268
where:
bonds (distance) C4'-P energy: -77.200
bonds (distance) P-C4' energy: -59.382
flat angles C4'-P-C4' energy: -80.084
flat angles P-C4'-P energy: -45.465
tors. eta vs tors. theta energy: -103.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1106.341258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.341258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.341258 (E_RNA)
where:
Base-Base interactions energy: -770.191
where: short stacking energy: -302.884
Base-Backbone interact. energy: -0.944
local terms energy: -335.206055
where:
bonds (distance) C4'-P energy: -65.458
bonds (distance) P-C4' energy: -61.481
flat angles C4'-P-C4' energy: -68.976
flat angles P-C4'-P energy: -42.498
tors. eta vs tors. theta energy: -96.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1002.428190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.428190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.428190 (E_RNA)
where:
Base-Base interactions energy: -667.508
where: short stacking energy: -270.878
Base-Backbone interact. energy: -1.182
local terms energy: -333.737758
where:
bonds (distance) C4'-P energy: -69.684
bonds (distance) P-C4' energy: -61.993
flat angles C4'-P-C4' energy: -69.641
flat angles P-C4'-P energy: -51.228
tors. eta vs tors. theta energy: -81.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -939.754548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.754548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.754548 (E_RNA)
where:
Base-Base interactions energy: -628.685
where: short stacking energy: -249.990
Base-Backbone interact. energy: -2.222
local terms energy: -308.847096
where:
bonds (distance) C4'-P energy: -69.495
bonds (distance) P-C4' energy: -62.349
flat angles C4'-P-C4' energy: -67.384
flat angles P-C4'-P energy: -41.599
tors. eta vs tors. theta energy: -68.020
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: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -896.056342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.056342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.056342 (E_RNA)
where:
Base-Base interactions energy: -590.348
where: short stacking energy: -259.873
Base-Backbone interact. energy: -1.495
local terms energy: -304.213498
where:
bonds (distance) C4'-P energy: -59.792
bonds (distance) P-C4' energy: -54.700
flat angles C4'-P-C4' energy: -61.643
flat angles P-C4'-P energy: -48.905
tors. eta vs tors. theta energy: -79.174
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: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -692.042737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.042737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.042737 (E_RNA)
where:
Base-Base interactions energy: -421.704
where: short stacking energy: -197.643
Base-Backbone interact. energy: 2.078
local terms energy: -272.416335
where:
bonds (distance) C4'-P energy: -56.687
bonds (distance) P-C4' energy: -73.768
flat angles C4'-P-C4' energy: -50.350
flat angles P-C4'-P energy: -36.393
tors. eta vs tors. theta energy: -55.217
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: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -559.257303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.257303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.257303 (E_RNA)
where:
Base-Base interactions energy: -309.004
where: short stacking energy: -148.790
Base-Backbone interact. energy: -0.488
local terms energy: -249.764641
where:
bonds (distance) C4'-P energy: -50.168
bonds (distance) P-C4' energy: -62.638
flat angles C4'-P-C4' energy: -64.277
flat angles P-C4'-P energy: -44.033
tors. eta vs tors. theta energy: -28.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -528.726138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.726138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.726138 (E_RNA)
where:
Base-Base interactions energy: -288.103
where: short stacking energy: -137.913
Base-Backbone interact. energy: 0.852
local terms energy: -241.475174
where:
bonds (distance) C4'-P energy: -51.863
bonds (distance) P-C4' energy: -76.325
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -299.680189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.680189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.680189 (E_RNA)
where:
Base-Base interactions energy: -106.190
where: short stacking energy: -93.198
Base-Backbone interact. energy: -0.274
local terms energy: -193.216193
where:
bonds (distance) C4'-P energy: -55.168
bonds (distance) P-C4' energy: -48.379
flat angles C4'-P-C4' energy: -41.986
flat angles P-C4'-P energy: -40.789
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -284.360548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.360548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.360548 (E_RNA)
where:
Base-Base interactions energy: -93.901
where: short stacking energy: -71.578
Base-Backbone interact. energy: -0.416
local terms energy: -190.043249
where:
bonds (distance) C4'-P energy: -63.477
bonds (distance) P-C4' energy: -45.188
flat angles C4'-P-C4' energy: -47.648
flat angles P-C4'-P energy: -25.419
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1168.871491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.871491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.871491 (E_RNA)
where:
Base-Base interactions energy: -802.129
where: short stacking energy: -310.035
Base-Backbone interact. energy: -1.755
local terms energy: -364.987465
where:
bonds (distance) C4'-P energy: -66.001
bonds (distance) P-C4' energy: -75.213
flat angles C4'-P-C4' energy: -75.633
flat angles P-C4'-P energy: -57.327
tors. eta vs tors. theta energy: -90.813
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: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1123.507348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.507348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.507348 (E_RNA)
where:
Base-Base interactions energy: -765.840
where: short stacking energy: -316.261
Base-Backbone interact. energy: 0.372
local terms energy: -358.118536
where:
bonds (distance) C4'-P energy: -70.134
bonds (distance) P-C4' energy: -67.468
flat angles C4'-P-C4' energy: -68.837
flat angles P-C4'-P energy: -54.430
tors. eta vs tors. theta energy: -97.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1037.411509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.411509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.411509 (E_RNA)
where:
Base-Base interactions energy: -705.840
where: short stacking energy: -301.836
Base-Backbone interact. energy: -2.982
local terms energy: -328.589570
where:
bonds (distance) C4'-P energy: -64.073
bonds (distance) P-C4' energy: -64.184
flat angles C4'-P-C4' energy: -71.502
flat angles P-C4'-P energy: -44.687
tors. eta vs tors. theta energy: -84.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -957.002068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.002068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.002068 (E_RNA)
where:
Base-Base interactions energy: -661.953
where: short stacking energy: -274.044
Base-Backbone interact. energy: 0.887
local terms energy: -295.935523
where:
bonds (distance) C4'-P energy: -57.342
bonds (distance) P-C4' energy: -60.321
flat angles C4'-P-C4' energy: -62.676
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -76.459
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: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -900.697462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.697462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.697462 (E_RNA)
where:
Base-Base interactions energy: -582.357
where: short stacking energy: -258.961
Base-Backbone interact. energy: 2.131
local terms energy: -320.471389
where:
bonds (distance) C4'-P energy: -66.627
bonds (distance) P-C4' energy: -68.975
flat angles C4'-P-C4' energy: -72.586
flat angles P-C4'-P energy: -41.439
tors. eta vs tors. theta energy: -70.845
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: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -678.915276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.915276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.915276 (E_RNA)
where:
Base-Base interactions energy: -422.435
where: short stacking energy: -191.649
Base-Backbone interact. energy: 1.203
local terms energy: -257.683337
where:
bonds (distance) C4'-P energy: -53.573
bonds (distance) P-C4' energy: -64.101
flat angles C4'-P-C4' energy: -58.326
flat angles P-C4'-P energy: -45.114
tors. eta vs tors. theta energy: -36.569
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: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -585.526194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.526194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.526194 (E_RNA)
where:
Base-Base interactions energy: -360.197
where: short stacking energy: -148.249
Base-Backbone interact. energy: 2.747
local terms energy: -228.076805
where:
bonds (distance) C4'-P energy: -59.471
bonds (distance) P-C4' energy: -57.781
flat angles C4'-P-C4' energy: -54.688
flat angles P-C4'-P energy: -33.928
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: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -497.224936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.224936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.224936 (E_RNA)
where:
Base-Base interactions energy: -266.155
where: short stacking energy: -140.113
Base-Backbone interact. energy: 1.564
local terms energy: -232.634843
where:
bonds (distance) C4'-P energy: -54.288
bonds (distance) P-C4' energy: -62.588
flat angles C4'-P-C4' energy: -49.584
flat angles P-C4'-P energy: -39.683
tors. eta vs tors. theta energy: -26.492
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: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -301.408140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.408140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.408140 (E_RNA)
where:
Base-Base interactions energy: -122.715
where: short stacking energy: -92.330
Base-Backbone interact. energy: -0.187
local terms energy: -178.505494
where:
bonds (distance) C4'-P energy: -53.055
bonds (distance) P-C4' energy: -59.689
flat angles C4'-P-C4' energy: -47.963
flat angles P-C4'-P energy: -36.547
tors. eta vs tors. theta energy: 18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -277.262827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.262827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.262827 (E_RNA)
where:
Base-Base interactions energy: -95.025
where: short stacking energy: -65.309
Base-Backbone interact. energy: -0.173
local terms energy: -182.064443
where:
bonds (distance) C4'-P energy: -58.937
bonds (distance) P-C4' energy: -58.474
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -42.909
tors. eta vs tors. theta energy: 7.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1160.609561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.609561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.609561 (E_RNA)
where:
Base-Base interactions energy: -811.382
where: short stacking energy: -316.395
Base-Backbone interact. energy: -1.351
local terms energy: -347.876442
where:
bonds (distance) C4'-P energy: -67.300
bonds (distance) P-C4' energy: -57.225
flat angles C4'-P-C4' energy: -79.595
flat angles P-C4'-P energy: -51.610
tors. eta vs tors. theta energy: -92.146
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: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1102.711251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.711251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.711251 (E_RNA)
where:
Base-Base interactions energy: -750.397
where: short stacking energy: -304.203
Base-Backbone interact. energy: -1.381
local terms energy: -351.096529
where:
bonds (distance) C4'-P energy: -69.864
bonds (distance) P-C4' energy: -63.366
flat angles C4'-P-C4' energy: -74.501
flat angles P-C4'-P energy: -53.398
tors. eta vs tors. theta energy: -89.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.163 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1007.099108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.099108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.099108 (E_RNA)
where:
Base-Base interactions energy: -667.184
where: short stacking energy: -274.549
Base-Backbone interact. energy: 1.422
local terms energy: -341.337403
where:
bonds (distance) C4'-P energy: -64.110
bonds (distance) P-C4' energy: -69.269
flat angles C4'-P-C4' energy: -73.164
flat angles P-C4'-P energy: -59.102
tors. eta vs tors. theta energy: -75.693
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: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -963.500654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.500654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.500654 (E_RNA)
where:
Base-Base interactions energy: -661.183
where: short stacking energy: -267.344
Base-Backbone interact. energy: -1.093
local terms energy: -301.225037
where:
bonds (distance) C4'-P energy: -62.969
bonds (distance) P-C4' energy: -60.424
flat angles C4'-P-C4' energy: -65.736
flat angles P-C4'-P energy: -37.023
tors. eta vs tors. theta energy: -75.074
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: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -870.080716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.080716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.080716 (E_RNA)
where:
Base-Base interactions energy: -569.975
where: short stacking energy: -232.370
Base-Backbone interact. energy: -2.456
local terms energy: -297.649929
where:
bonds (distance) C4'-P energy: -63.832
bonds (distance) P-C4' energy: -65.909
flat angles C4'-P-C4' energy: -62.678
flat angles P-C4'-P energy: -40.597
tors. eta vs tors. theta energy: -64.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -682.470649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.470649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.470649 (E_RNA)
where:
Base-Base interactions energy: -420.929
where: short stacking energy: -209.857
Base-Backbone interact. energy: -0.989
local terms energy: -260.553048
where:
bonds (distance) C4'-P energy: -52.405
bonds (distance) P-C4' energy: -52.560
flat angles C4'-P-C4' energy: -72.950
flat angles P-C4'-P energy: -33.035
tors. eta vs tors. theta energy: -49.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -565.613666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.613666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.613666 (E_RNA)
where:
Base-Base interactions energy: -313.890
where: short stacking energy: -131.270
Base-Backbone interact. energy: -1.102
local terms energy: -250.622181
where:
bonds (distance) C4'-P energy: -56.944
bonds (distance) P-C4' energy: -65.259
flat angles C4'-P-C4' energy: -58.426
flat angles P-C4'-P energy: -41.652
tors. eta vs tors. theta energy: -28.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -460.227239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.227239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.227239 (E_RNA)
where:
Base-Base interactions energy: -251.114
where: short stacking energy: -128.449
Base-Backbone interact. energy: 3.474
local terms energy: -212.587942
where:
bonds (distance) C4'-P energy: -60.685
bonds (distance) P-C4' energy: -56.699
flat angles C4'-P-C4' energy: -45.147
flat angles P-C4'-P energy: -33.983
tors. eta vs tors. theta energy: -16.074
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: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -304.969788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.969788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.969788 (E_RNA)
where:
Base-Base interactions energy: -113.496
where: short stacking energy: -77.565
Base-Backbone interact. energy: -1.247
local terms energy: -190.226695
where:
bonds (distance) C4'-P energy: -50.560
bonds (distance) P-C4' energy: -62.090
flat angles C4'-P-C4' energy: -48.172
flat angles P-C4'-P energy: -36.689
tors. eta vs tors. theta energy: 7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -266.639923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.639923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.639923 (E_RNA)
where:
Base-Base interactions energy: -73.895
where: short stacking energy: -44.781
Base-Backbone interact. energy: -2.504
local terms energy: -190.241371
where:
bonds (distance) C4'-P energy: -61.268
bonds (distance) P-C4' energy: -55.826
flat angles C4'-P-C4' energy: -59.241
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: 15.512
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: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1150.858945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.858945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.858945 (E_RNA)
where:
Base-Base interactions energy: -801.606
where: short stacking energy: -326.056
Base-Backbone interact. energy: -1.228
local terms energy: -348.024799
where:
bonds (distance) C4'-P energy: -59.360
bonds (distance) P-C4' energy: -70.112
flat angles C4'-P-C4' energy: -79.043
flat angles P-C4'-P energy: -46.271
tors. eta vs tors. theta energy: -93.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1106.923312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.923312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.923312 (E_RNA)
where:
Base-Base interactions energy: -773.245
where: short stacking energy: -292.792
Base-Backbone interact. energy: 1.604
local terms energy: -335.690794
where:
bonds (distance) C4'-P energy: -65.955
bonds (distance) P-C4' energy: -62.011
flat angles C4'-P-C4' energy: -67.969
flat angles P-C4'-P energy: -52.530
tors. eta vs tors. theta energy: -87.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.408 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1017.083495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.083495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.083495 (E_RNA)
where:
Base-Base interactions energy: -695.855
where: short stacking energy: -284.077
Base-Backbone interact. energy: 0.903
local terms energy: -322.131341
where:
bonds (distance) C4'-P energy: -61.351
bonds (distance) P-C4' energy: -64.710
flat angles C4'-P-C4' energy: -70.058
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -85.215
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: 323
Temperature: 1.050000
Total energy: -947.281254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.281254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.281254 (E_RNA)
where:
Base-Base interactions energy: -628.675
where: short stacking energy: -257.825
Base-Backbone interact. energy: -0.575
local terms energy: -318.031617
where:
bonds (distance) C4'-P energy: -68.617
bonds (distance) P-C4' energy: -63.102
flat angles C4'-P-C4' energy: -65.666
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -78.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -912.155036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.155036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.155036 (E_RNA)
where:
Base-Base interactions energy: -620.905
where: short stacking energy: -282.758
Base-Backbone interact. energy: -1.075
local terms energy: -290.174571
where:
bonds (distance) C4'-P energy: -49.879
bonds (distance) P-C4' energy: -50.743
flat angles C4'-P-C4' energy: -61.104
flat angles P-C4'-P energy: -46.732
tors. eta vs tors. theta energy: -81.717
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: 323
Temperature: 1.150000
Total energy: -649.913428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.913428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.913428 (E_RNA)
where:
Base-Base interactions energy: -399.862
where: short stacking energy: -187.511
Base-Backbone interact. energy: -1.940
local terms energy: -248.110697
where:
bonds (distance) C4'-P energy: -52.060
bonds (distance) P-C4' energy: -62.719
flat angles C4'-P-C4' energy: -59.968
flat angles P-C4'-P energy: -42.818
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: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -563.198427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.198427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.198427 (E_RNA)
where:
Base-Base interactions energy: -318.614
where: short stacking energy: -169.728
Base-Backbone interact. energy: 6.766
local terms energy: -251.350103
where:
bonds (distance) C4'-P energy: -66.960
bonds (distance) P-C4' energy: -58.798
flat angles C4'-P-C4' energy: -61.067
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -38.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -496.100370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.100370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.100370 (E_RNA)
where:
Base-Base interactions energy: -299.144
where: short stacking energy: -131.255
Base-Backbone interact. energy: -1.011
local terms energy: -195.945621
where:
bonds (distance) C4'-P energy: -42.079
bonds (distance) P-C4' energy: -46.834
flat angles C4'-P-C4' energy: -55.588
flat angles P-C4'-P energy: -45.015
tors. eta vs tors. theta energy: -6.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -309.063905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.063905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.063905 (E_RNA)
where:
Base-Base interactions energy: -135.885
where: short stacking energy: -66.667
Base-Backbone interact. energy: -1.908
local terms energy: -171.271253
where:
bonds (distance) C4'-P energy: -53.342
bonds (distance) P-C4' energy: -57.233
flat angles C4'-P-C4' energy: -47.076
flat angles P-C4'-P energy: -34.339
tors. eta vs tors. theta energy: 20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -278.636302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.636302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.636302 (E_RNA)
where:
Base-Base interactions energy: -98.127
where: short stacking energy: -84.100
Base-Backbone interact. energy: -1.420
local terms energy: -179.089464
where:
bonds (distance) C4'-P energy: -52.605
bonds (distance) P-C4' energy: -52.925
flat angles C4'-P-C4' energy: -55.141
flat angles P-C4'-P energy: -26.816
tors. eta vs tors. theta energy: 8.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1162.749116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.749116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.749116 (E_RNA)
where:
Base-Base interactions energy: -810.447
where: short stacking energy: -336.999
Base-Backbone interact. energy: -0.828
local terms energy: -351.474041
where:
bonds (distance) C4'-P energy: -66.059
bonds (distance) P-C4' energy: -66.069
flat angles C4'-P-C4' energy: -75.691
flat angles P-C4'-P energy: -44.361
tors. eta vs tors. theta energy: -99.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1116.621735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.621735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.621735 (E_RNA)
where:
Base-Base interactions energy: -764.621
where: short stacking energy: -317.413
Base-Backbone interact. energy: 1.585
local terms energy: -353.585067
where:
bonds (distance) C4'-P energy: -66.227
bonds (distance) P-C4' energy: -59.198
flat angles C4'-P-C4' energy: -78.668
flat angles P-C4'-P energy: -56.401
tors. eta vs tors. theta energy: -93.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1039.202487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.202487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.202487 (E_RNA)
where:
Base-Base interactions energy: -687.918
where: short stacking energy: -284.074
Base-Backbone interact. energy: -1.487
local terms energy: -349.797585
where:
bonds (distance) C4'-P energy: -66.046
bonds (distance) P-C4' energy: -76.554
flat angles C4'-P-C4' energy: -72.826
flat angles P-C4'-P energy: -40.365
tors. eta vs tors. theta energy: -94.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -959.948395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.948395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.948395 (E_RNA)
where:
Base-Base interactions energy: -642.299
where: short stacking energy: -285.807
Base-Backbone interact. energy: -1.371
local terms energy: -316.279384
where:
bonds (distance) C4'-P energy: -60.654
bonds (distance) P-C4' energy: -67.748
flat angles C4'-P-C4' energy: -70.551
flat angles P-C4'-P energy: -34.876
tors. eta vs tors. theta energy: -82.450
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: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -861.121207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.121207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.121207 (E_RNA)
where:
Base-Base interactions energy: -562.254
where: short stacking energy: -239.952
Base-Backbone interact. energy: -0.851
local terms energy: -298.015748
where:
bonds (distance) C4'-P energy: -56.334
bonds (distance) P-C4' energy: -64.590
flat angles C4'-P-C4' energy: -71.118
flat angles P-C4'-P energy: -51.571
tors. eta vs tors. theta energy: -54.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -713.280964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.280964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.280964 (E_RNA)
where:
Base-Base interactions energy: -433.226
where: short stacking energy: -198.352
Base-Backbone interact. energy: -0.552
local terms energy: -280.194406
where:
bonds (distance) C4'-P energy: -57.796
bonds (distance) P-C4' energy: -60.441
flat angles C4'-P-C4' energy: -65.578
flat angles P-C4'-P energy: -42.726
tors. eta vs tors. theta energy: -53.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.691 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -585.907780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.907780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.907780 (E_RNA)
where:
Base-Base interactions energy: -341.933
where: short stacking energy: -169.146
Base-Backbone interact. energy: -1.858
local terms energy: -242.117090
where:
bonds (distance) C4'-P energy: -62.641
bonds (distance) P-C4' energy: -63.635
flat angles C4'-P-C4' energy: -49.150
flat angles P-C4'-P energy: -38.275
tors. eta vs tors. theta energy: -28.416
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: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -501.944441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.944441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.944441 (E_RNA)
where:
Base-Base interactions energy: -280.962
where: short stacking energy: -126.038
Base-Backbone interact. energy: -1.622
local terms energy: -219.360509
where:
bonds (distance) C4'-P energy: -58.944
bonds (distance) P-C4' energy: -68.947
flat angles C4'-P-C4' energy: -53.192
flat angles P-C4'-P energy: -30.262
tors. eta vs tors. theta energy: -8.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -281.252066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.252066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.252066 (E_RNA)
where:
Base-Base interactions energy: -87.558
where: short stacking energy: -82.126
Base-Backbone interact. energy: -0.871
local terms energy: -192.822953
where:
bonds (distance) C4'-P energy: -58.616
bonds (distance) P-C4' energy: -64.906
flat angles C4'-P-C4' energy: -43.355
flat angles P-C4'-P energy: -28.532
tors. eta vs tors. theta energy: 2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -281.282815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.282815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.282815 (E_RNA)
where:
Base-Base interactions energy: -94.634
where: short stacking energy: -72.033
Base-Backbone interact. energy: 0.452
local terms energy: -187.101536
where:
bonds (distance) C4'-P energy: -58.292
bonds (distance) P-C4' energy: -60.677
flat angles C4'-P-C4' energy: -51.147
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: 8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1165.380941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.380941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.380941 (E_RNA)
where:
Base-Base interactions energy: -803.234
where: short stacking energy: -325.923
Base-Backbone interact. energy: -0.211
local terms energy: -361.935935
where:
bonds (distance) C4'-P energy: -64.802
bonds (distance) P-C4' energy: -68.062
flat angles C4'-P-C4' energy: -76.841
flat angles P-C4'-P energy: -53.388
tors. eta vs tors. theta energy: -98.843
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: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1122.069896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.069896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.069896 (E_RNA)
where:
Base-Base interactions energy: -766.548
where: short stacking energy: -311.660
Base-Backbone interact. energy: -0.596
local terms energy: -354.926571
where:
bonds (distance) C4'-P energy: -67.401
bonds (distance) P-C4' energy: -77.651
flat angles C4'-P-C4' energy: -68.227
flat angles P-C4'-P energy: -44.866
tors. eta vs tors. theta energy: -96.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1019.164655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.164655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.164655 (E_RNA)
where:
Base-Base interactions energy: -688.831
where: short stacking energy: -300.846
Base-Backbone interact. energy: -0.732
local terms energy: -329.601600
where:
bonds (distance) C4'-P energy: -58.465
bonds (distance) P-C4' energy: -58.221
flat angles C4'-P-C4' energy: -76.569
flat angles P-C4'-P energy: -51.276
tors. eta vs tors. theta energy: -85.069
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: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -968.420486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.420486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.420486 (E_RNA)
where:
Base-Base interactions energy: -650.892
where: short stacking energy: -295.858
Base-Backbone interact. energy: -0.999
local terms energy: -316.529812
where:
bonds (distance) C4'-P energy: -55.181
bonds (distance) P-C4' energy: -74.958
flat angles C4'-P-C4' energy: -68.742
flat angles P-C4'-P energy: -38.171
tors. eta vs tors. theta energy: -79.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -861.349764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.349764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.349764 (E_RNA)
where:
Base-Base interactions energy: -575.722
where: short stacking energy: -248.166
Base-Backbone interact. energy: -1.579
local terms energy: -284.048917
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -61.894
flat angles C4'-P-C4' energy: -64.535
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -76.291
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: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -726.477722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.477722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.477722 (E_RNA)
where:
Base-Base interactions energy: -463.659
where: short stacking energy: -213.177
Base-Backbone interact. energy: 0.905
local terms energy: -263.723838
where:
bonds (distance) C4'-P energy: -57.836
bonds (distance) P-C4' energy: -58.414
flat angles C4'-P-C4' energy: -55.289
flat angles P-C4'-P energy: -42.485
tors. eta vs tors. theta energy: -49.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -537.719407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.719407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.719407 (E_RNA)
where:
Base-Base interactions energy: -305.340
where: short stacking energy: -152.272
Base-Backbone interact. energy: -1.465
local terms energy: -230.914439
where:
bonds (distance) C4'-P energy: -53.491
bonds (distance) P-C4' energy: -54.031
flat angles C4'-P-C4' energy: -65.455
flat angles P-C4'-P energy: -39.545
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -522.931955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.931955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.931955 (E_RNA)
where:
Base-Base interactions energy: -296.536
where: short stacking energy: -145.503
Base-Backbone interact. energy: -0.857
local terms energy: -225.539211
where:
bonds (distance) C4'-P energy: -54.861
bonds (distance) P-C4' energy: -58.160
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: -28.999
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: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -290.739243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.739243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.739243 (E_RNA)
where:
Base-Base interactions energy: -105.274
where: short stacking energy: -99.805
Base-Backbone interact. energy: -0.202
local terms energy: -185.262971
where:
bonds (distance) C4'-P energy: -50.281
bonds (distance) P-C4' energy: -57.673
flat angles C4'-P-C4' energy: -44.506
flat angles P-C4'-P energy: -37.442
tors. eta vs tors. theta energy: 4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -275.465734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.465734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.465734 (E_RNA)
where:
Base-Base interactions energy: -92.996
where: short stacking energy: -60.759
Base-Backbone interact. energy: -0.935
local terms energy: -181.535458
where:
bonds (distance) C4'-P energy: -68.624
bonds (distance) P-C4' energy: -59.061
flat angles C4'-P-C4' energy: -51.724
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: 10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1156.758760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.758760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.758760 (E_RNA)
where:
Base-Base interactions energy: -800.836
where: short stacking energy: -332.106
Base-Backbone interact. energy: 2.059
local terms energy: -357.981584
where:
bonds (distance) C4'-P energy: -64.658
bonds (distance) P-C4' energy: -71.114
flat angles C4'-P-C4' energy: -70.977
flat angles P-C4'-P energy: -48.585
tors. eta vs tors. theta energy: -102.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1101.048474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.048474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.048474 (E_RNA)
where:
Base-Base interactions energy: -758.139
where: short stacking energy: -294.968
Base-Backbone interact. energy: -2.076
local terms energy: -340.833487
where:
bonds (distance) C4'-P energy: -71.572
bonds (distance) P-C4' energy: -59.881
flat angles C4'-P-C4' energy: -76.850
flat angles P-C4'-P energy: -45.043
tors. eta vs tors. theta energy: -87.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1000.493931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.493931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.493931 (E_RNA)
where:
Base-Base interactions energy: -665.693
where: short stacking energy: -270.094
Base-Backbone interact. energy: -0.904
local terms energy: -333.896982
where:
bonds (distance) C4'-P energy: -62.772
bonds (distance) P-C4' energy: -67.321
flat angles C4'-P-C4' energy: -73.078
flat angles P-C4'-P energy: -46.927
tors. eta vs tors. theta energy: -83.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -967.696854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.696854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.696854 (E_RNA)
where:
Base-Base interactions energy: -657.057
where: short stacking energy: -270.759
Base-Backbone interact. energy: -0.989
local terms energy: -309.651116
where:
bonds (distance) C4'-P energy: -65.655
bonds (distance) P-C4' energy: -73.610
flat angles C4'-P-C4' energy: -56.386
flat angles P-C4'-P energy: -40.509
tors. eta vs tors. theta energy: -73.491
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: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -887.376583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.376583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.376583 (E_RNA)
where:
Base-Base interactions energy: -593.594
where: short stacking energy: -253.996
Base-Backbone interact. energy: 1.451
local terms energy: -295.233636
where:
bonds (distance) C4'-P energy: -49.548
bonds (distance) P-C4' energy: -61.418
flat angles C4'-P-C4' energy: -63.620
flat angles P-C4'-P energy: -40.456
tors. eta vs tors. theta energy: -80.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -738.501157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.501157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.501157 (E_RNA)
where:
Base-Base interactions energy: -453.743
where: short stacking energy: -227.294
Base-Backbone interact. energy: -1.079
local terms energy: -283.678674
where:
bonds (distance) C4'-P energy: -59.240
bonds (distance) P-C4' energy: -55.762
flat angles C4'-P-C4' energy: -75.778
flat angles P-C4'-P energy: -44.723
tors. eta vs tors. theta energy: -48.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -561.191796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.191796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.191796 (E_RNA)
where:
Base-Base interactions energy: -309.351
where: short stacking energy: -143.196
Base-Backbone interact. energy: -2.579
local terms energy: -249.262160
where:
bonds (distance) C4'-P energy: -67.877
bonds (distance) P-C4' energy: -61.507
flat angles C4'-P-C4' energy: -67.925
flat angles P-C4'-P energy: -38.618
tors. eta vs tors. theta energy: -13.335
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: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -516.248990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.248990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.248990 (E_RNA)
where:
Base-Base interactions energy: -293.057
where: short stacking energy: -145.478
Base-Backbone interact. energy: 3.548
local terms energy: -226.739462
where:
bonds (distance) C4'-P energy: -53.353
bonds (distance) P-C4' energy: -54.110
flat angles C4'-P-C4' energy: -66.522
flat angles P-C4'-P energy: -30.931
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -294.505035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.505035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.505035 (E_RNA)
where:
Base-Base interactions energy: -129.434
where: short stacking energy: -107.040
Base-Backbone interact. energy: 0.665
local terms energy: -165.735849
where:
bonds (distance) C4'-P energy: -57.206
bonds (distance) P-C4' energy: -60.449
flat angles C4'-P-C4' energy: -28.120
flat angles P-C4'-P energy: -22.289
tors. eta vs tors. theta energy: 2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -278.428939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.428939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.428939 (E_RNA)
where:
Base-Base interactions energy: -85.377
where: short stacking energy: -76.779
Base-Backbone interact. energy: -0.737
local terms energy: -192.315349
where:
bonds (distance) C4'-P energy: -56.135
bonds (distance) P-C4' energy: -63.533
flat angles C4'-P-C4' energy: -50.110
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: 2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1148.938070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.938070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.938070 (E_RNA)
where:
Base-Base interactions energy: -800.642
where: short stacking energy: -312.347
Base-Backbone interact. energy: 0.386
local terms energy: -348.682016
where:
bonds (distance) C4'-P energy: -73.847
bonds (distance) P-C4' energy: -69.022
flat angles C4'-P-C4' energy: -70.778
flat angles P-C4'-P energy: -39.318
tors. eta vs tors. theta energy: -95.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1104.739176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.739176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.739176 (E_RNA)
where:
Base-Base interactions energy: -751.545
where: short stacking energy: -303.983
Base-Backbone interact. energy: -1.726
local terms energy: -351.854287
where:
bonds (distance) C4'-P energy: -61.734
bonds (distance) P-C4' energy: -67.625
flat angles C4'-P-C4' energy: -72.602
flat angles P-C4'-P energy: -55.136
tors. eta vs tors. theta energy: -94.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.387 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -998.309144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.309144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.309144 (E_RNA)
where:
Base-Base interactions energy: -665.674
where: short stacking energy: -289.474
Base-Backbone interact. energy: -1.238
local terms energy: -331.397024
where:
bonds (distance) C4'-P energy: -58.939
bonds (distance) P-C4' energy: -58.953
flat angles C4'-P-C4' energy: -76.185
flat angles P-C4'-P energy: -44.414
tors. eta vs tors. theta energy: -92.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -976.755374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.755374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.755374 (E_RNA)
where:
Base-Base interactions energy: -656.259
where: short stacking energy: -279.365
Base-Backbone interact. energy: -0.438
local terms energy: -320.081454
where:
bonds (distance) C4'-P energy: -63.467
bonds (distance) P-C4' energy: -67.472
flat angles C4'-P-C4' energy: -66.873
flat angles P-C4'-P energy: -28.949
tors. eta vs tors. theta energy: -93.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.023 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -876.107354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.107354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.107354 (E_RNA)
where:
Base-Base interactions energy: -592.558
where: short stacking energy: -240.811
Base-Backbone interact. energy: -1.226
local terms energy: -282.323196
where:
bonds (distance) C4'-P energy: -50.839
bonds (distance) P-C4' energy: -60.280
flat angles C4'-P-C4' energy: -65.659
flat angles P-C4'-P energy: -40.948
tors. eta vs tors. theta energy: -64.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -707.081211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.081211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.081211 (E_RNA)
where:
Base-Base interactions energy: -439.470
where: short stacking energy: -227.365
Base-Backbone interact. energy: -0.789
local terms energy: -266.822085
where:
bonds (distance) C4'-P energy: -58.138
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -67.415
flat angles P-C4'-P energy: -33.908
tors. eta vs tors. theta energy: -51.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -536.931843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.931843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.931843 (E_RNA)
where:
Base-Base interactions energy: -301.585
where: short stacking energy: -138.647
Base-Backbone interact. energy: 0.430
local terms energy: -235.775986
where:
bonds (distance) C4'-P energy: -68.423
bonds (distance) P-C4' energy: -68.085
flat angles C4'-P-C4' energy: -54.528
flat angles P-C4'-P energy: -33.013
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: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -540.734562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.734562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.734562 (E_RNA)
where:
Base-Base interactions energy: -336.295
where: short stacking energy: -160.346
Base-Backbone interact. energy: 0.392
local terms energy: -204.830900
where:
bonds (distance) C4'-P energy: -39.896
bonds (distance) P-C4' energy: -54.685
flat angles C4'-P-C4' energy: -55.518
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -23.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -294.736690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.736690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.736690 (E_RNA)
where:
Base-Base interactions energy: -100.862
where: short stacking energy: -75.287
Base-Backbone interact. energy: 1.374
local terms energy: -195.248062
where:
bonds (distance) C4'-P energy: -58.051
bonds (distance) P-C4' energy: -54.630
flat angles C4'-P-C4' energy: -47.609
flat angles P-C4'-P energy: -32.748
tors. eta vs tors. theta energy: -2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -256.198984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.198984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.198984 (E_RNA)
where:
Base-Base interactions energy: -89.071
where: short stacking energy: -82.716
Base-Backbone interact. energy: 4.938
local terms energy: -172.066245
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -54.808
flat angles C4'-P-C4' energy: -49.886
flat angles P-C4'-P energy: -27.263
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: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1133.664586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.664586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.664586 (E_RNA)
where:
Base-Base interactions energy: -773.502
where: short stacking energy: -302.104
Base-Backbone interact. energy: -0.758
local terms energy: -360.131451
where:
bonds (distance) C4'-P energy: -67.757
bonds (distance) P-C4' energy: -71.961
flat angles C4'-P-C4' energy: -73.427
flat angles P-C4'-P energy: -46.976
tors. eta vs tors. theta energy: -100.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.727 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1107.566259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.566259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.566259 (E_RNA)
where:
Base-Base interactions energy: -755.486
where: short stacking energy: -303.756
Base-Backbone interact. energy: -1.514
local terms energy: -350.567010
where:
bonds (distance) C4'-P energy: -63.214
bonds (distance) P-C4' energy: -67.208
flat angles C4'-P-C4' energy: -76.319
flat angles P-C4'-P energy: -51.386
tors. eta vs tors. theta energy: -92.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1007.058165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.058165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.058165 (E_RNA)
where:
Base-Base interactions energy: -696.128
where: short stacking energy: -295.166
Base-Backbone interact. energy: 1.549
local terms energy: -312.479394
where:
bonds (distance) C4'-P energy: -59.263
bonds (distance) P-C4' energy: -59.834
flat angles C4'-P-C4' energy: -61.804
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: -87.963
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: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -957.969908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.969908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.969908 (E_RNA)
where:
Base-Base interactions energy: -634.687
where: short stacking energy: -268.664
Base-Backbone interact. energy: -0.816
local terms energy: -322.467453
where:
bonds (distance) C4'-P energy: -56.128
bonds (distance) P-C4' energy: -61.846
flat angles C4'-P-C4' energy: -74.593
flat angles P-C4'-P energy: -42.140
tors. eta vs tors. theta energy: -87.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -853.572168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.572168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.572168 (E_RNA)
where:
Base-Base interactions energy: -570.964
where: short stacking energy: -233.841
Base-Backbone interact. energy: 0.085
local terms energy: -282.693622
where:
bonds (distance) C4'-P energy: -65.459
bonds (distance) P-C4' energy: -59.649
flat angles C4'-P-C4' energy: -63.804
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -59.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -710.312756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.312756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.312756 (E_RNA)
where:
Base-Base interactions energy: -439.745
where: short stacking energy: -192.697
Base-Backbone interact. energy: -0.283
local terms energy: -270.285184
where:
bonds (distance) C4'-P energy: -62.593
bonds (distance) P-C4' energy: -61.286
flat angles C4'-P-C4' energy: -45.651
flat angles P-C4'-P energy: -53.028
tors. eta vs tors. theta energy: -47.727
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: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -555.488029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.488029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.488029 (E_RNA)
where:
Base-Base interactions energy: -320.448
where: short stacking energy: -149.767
Base-Backbone interact. energy: 1.008
local terms energy: -236.047890
where:
bonds (distance) C4'-P energy: -44.368
bonds (distance) P-C4' energy: -67.496
flat angles C4'-P-C4' energy: -59.711
flat angles P-C4'-P energy: -36.548
tors. eta vs tors. theta energy: -27.925
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: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -536.052089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.052089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.052089 (E_RNA)
where:
Base-Base interactions energy: -323.721
where: short stacking energy: -135.175
Base-Backbone interact. energy: -3.034
local terms energy: -209.296923
where:
bonds (distance) C4'-P energy: -54.771
bonds (distance) P-C4' energy: -55.253
flat angles C4'-P-C4' energy: -54.550
flat angles P-C4'-P energy: -34.670
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -311.609560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.609560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.609560 (E_RNA)
where:
Base-Base interactions energy: -109.237
where: short stacking energy: -86.801
Base-Backbone interact. energy: -1.559
local terms energy: -200.813597
where:
bonds (distance) C4'-P energy: -55.321
bonds (distance) P-C4' energy: -52.015
flat angles C4'-P-C4' energy: -61.651
flat angles P-C4'-P energy: -39.371
tors. eta vs tors. theta energy: 7.545
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: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -273.113944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.113944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.113944 (E_RNA)
where:
Base-Base interactions energy: -83.608
where: short stacking energy: -56.306
Base-Backbone interact. energy: -1.738
local terms energy: -187.767791
where:
bonds (distance) C4'-P energy: -49.576
bonds (distance) P-C4' energy: -60.292
flat angles C4'-P-C4' energy: -49.772
flat angles P-C4'-P energy: -35.271
tors. eta vs tors. theta energy: 7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1144.030780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.030780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.030780 (E_RNA)
where:
Base-Base interactions energy: -771.459
where: short stacking energy: -304.671
Base-Backbone interact. energy: -0.692
local terms energy: -371.963105
where:
bonds (distance) C4'-P energy: -63.866
bonds (distance) P-C4' energy: -70.932
flat angles C4'-P-C4' energy: -81.709
flat angles P-C4'-P energy: -57.815
tors. eta vs tors. theta energy: -97.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.083 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1136.879312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.879312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.879312 (E_RNA)
where:
Base-Base interactions energy: -782.388
where: short stacking energy: -312.202
Base-Backbone interact. energy: -1.625
local terms energy: -352.865559
where:
bonds (distance) C4'-P energy: -65.670
bonds (distance) P-C4' energy: -68.207
flat angles C4'-P-C4' energy: -73.461
flat angles P-C4'-P energy: -49.094
tors. eta vs tors. theta energy: -96.435
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: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1022.869187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.869187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.869187 (E_RNA)
where:
Base-Base interactions energy: -676.546
where: short stacking energy: -290.282
Base-Backbone interact. energy: 4.287
local terms energy: -350.610202
where:
bonds (distance) C4'-P energy: -71.715
bonds (distance) P-C4' energy: -64.813
flat angles C4'-P-C4' energy: -74.348
flat angles P-C4'-P energy: -54.370
tors. eta vs tors. theta energy: -85.364
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: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -906.594800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.594800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.594800 (E_RNA)
where:
Base-Base interactions energy: -605.824
where: short stacking energy: -250.412
Base-Backbone interact. energy: -2.862
local terms energy: -297.909160
where:
bonds (distance) C4'-P energy: -58.062
bonds (distance) P-C4' energy: -58.208
flat angles C4'-P-C4' energy: -63.547
flat angles P-C4'-P energy: -40.806
tors. eta vs tors. theta energy: -77.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -854.940384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.940384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.940384 (E_RNA)
where:
Base-Base interactions energy: -543.084
where: short stacking energy: -241.679
Base-Backbone interact. energy: -0.599
local terms energy: -311.257497
where:
bonds (distance) C4'-P energy: -59.239
bonds (distance) P-C4' energy: -71.367
flat angles C4'-P-C4' energy: -57.555
flat angles P-C4'-P energy: -47.151
tors. eta vs tors. theta energy: -75.946
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: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -702.657035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.657035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.657035 (E_RNA)
where:
Base-Base interactions energy: -441.873
where: short stacking energy: -189.321
Base-Backbone interact. energy: -0.526
local terms energy: -260.257931
where:
bonds (distance) C4'-P energy: -58.308
bonds (distance) P-C4' energy: -65.940
flat angles C4'-P-C4' energy: -54.184
flat angles P-C4'-P energy: -42.613
tors. eta vs tors. theta energy: -39.213
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: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -568.936007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.936007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.936007 (E_RNA)
where:
Base-Base interactions energy: -332.606
where: short stacking energy: -157.609
Base-Backbone interact. energy: 2.139
local terms energy: -238.468702
where:
bonds (distance) C4'-P energy: -56.253
bonds (distance) P-C4' energy: -58.816
flat angles C4'-P-C4' energy: -67.497
flat angles P-C4'-P energy: -26.606
tors. eta vs tors. theta energy: -29.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -509.304092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.304092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.304092 (E_RNA)
where:
Base-Base interactions energy: -294.022
where: short stacking energy: -155.037
Base-Backbone interact. energy: -0.425
local terms energy: -214.857192
where:
bonds (distance) C4'-P energy: -54.249
bonds (distance) P-C4' energy: -54.239
flat angles C4'-P-C4' energy: -56.128
flat angles P-C4'-P energy: -22.079
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: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -309.639132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.639132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.639132 (E_RNA)
where:
Base-Base interactions energy: -110.614
where: short stacking energy: -93.311
Base-Backbone interact. energy: 4.524
local terms energy: -203.549213
where:
bonds (distance) C4'-P energy: -47.064
bonds (distance) P-C4' energy: -58.021
flat angles C4'-P-C4' energy: -64.574
flat angles P-C4'-P energy: -32.630
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: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -299.469538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.469538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.469538 (E_RNA)
where:
Base-Base interactions energy: -112.564
where: short stacking energy: -73.432
Base-Backbone interact. energy: -0.517
local terms energy: -186.388563
where:
bonds (distance) C4'-P energy: -55.891
bonds (distance) P-C4' energy: -58.516
flat angles C4'-P-C4' energy: -52.027
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: 0.633
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: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1162.629153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.629153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.629153 (E_RNA)
where:
Base-Base interactions energy: -794.600
where: short stacking energy: -312.171
Base-Backbone interact. energy: -0.980
local terms energy: -367.049384
where:
bonds (distance) C4'-P energy: -71.678
bonds (distance) P-C4' energy: -76.190
flat angles C4'-P-C4' energy: -73.768
flat angles P-C4'-P energy: -45.379
tors. eta vs tors. theta energy: -100.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1146.083759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.083759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.083759 (E_RNA)
where:
Base-Base interactions energy: -801.360
where: short stacking energy: -343.463
Base-Backbone interact. energy: -0.478
local terms energy: -344.245936
where:
bonds (distance) C4'-P energy: -55.700
bonds (distance) P-C4' energy: -63.396
flat angles C4'-P-C4' energy: -74.646
flat angles P-C4'-P energy: -47.432
tors. eta vs tors. theta energy: -103.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1022.532446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.532446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.532446 (E_RNA)
where:
Base-Base interactions energy: -677.430
where: short stacking energy: -278.916
Base-Backbone interact. energy: -1.030
local terms energy: -344.072791
where:
bonds (distance) C4'-P energy: -56.864
bonds (distance) P-C4' energy: -67.907
flat angles C4'-P-C4' energy: -76.971
flat angles P-C4'-P energy: -54.494
tors. eta vs tors. theta energy: -87.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -899.036812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.036812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.036812 (E_RNA)
where:
Base-Base interactions energy: -607.660
where: short stacking energy: -240.300
Base-Backbone interact. energy: -1.067
local terms energy: -290.310714
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -48.809
flat angles C4'-P-C4' energy: -71.017
flat angles P-C4'-P energy: -54.492
tors. eta vs tors. theta energy: -62.676
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: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -836.585681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.585681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.585681 (E_RNA)
where:
Base-Base interactions energy: -527.450
where: short stacking energy: -237.753
Base-Backbone interact. energy: -0.482
local terms energy: -308.653512
where:
bonds (distance) C4'-P energy: -65.287
bonds (distance) P-C4' energy: -63.691
flat angles C4'-P-C4' energy: -68.313
flat angles P-C4'-P energy: -41.419
tors. eta vs tors. theta energy: -69.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -730.014261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.014261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.014261 (E_RNA)
where:
Base-Base interactions energy: -476.425
where: short stacking energy: -207.079
Base-Backbone interact. energy: 3.974
local terms energy: -257.563519
where:
bonds (distance) C4'-P energy: -48.850
bonds (distance) P-C4' energy: -60.348
flat angles C4'-P-C4' energy: -54.326
flat angles P-C4'-P energy: -46.712
tors. eta vs tors. theta energy: -47.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -556.518660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.518660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.518660 (E_RNA)
where:
Base-Base interactions energy: -334.120
where: short stacking energy: -159.771
Base-Backbone interact. energy: -1.230
local terms energy: -221.168431
where:
bonds (distance) C4'-P energy: -49.215
bonds (distance) P-C4' energy: -62.109
flat angles C4'-P-C4' energy: -52.886
flat angles P-C4'-P energy: -38.369
tors. eta vs tors. theta energy: -18.589
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: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -494.419740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.419740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.419740 (E_RNA)
where:
Base-Base interactions energy: -261.394
where: short stacking energy: -135.274
Base-Backbone interact. energy: 0.398
local terms energy: -233.424202
where:
bonds (distance) C4'-P energy: -54.349
bonds (distance) P-C4' energy: -61.881
flat angles C4'-P-C4' energy: -56.384
flat angles P-C4'-P energy: -33.156
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -279.912192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.912192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.912192 (E_RNA)
where:
Base-Base interactions energy: -97.019
where: short stacking energy: -75.267
Base-Backbone interact. energy: -0.735
local terms energy: -182.157745
where:
bonds (distance) C4'-P energy: -59.596
bonds (distance) P-C4' energy: -65.388
flat angles C4'-P-C4' energy: -40.774
flat angles P-C4'-P energy: -28.501
tors. eta vs tors. theta energy: 12.101
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: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -266.941754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.941754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.941754 (E_RNA)
where:
Base-Base interactions energy: -76.613
where: short stacking energy: -47.421
Base-Backbone interact. energy: -2.008
local terms energy: -188.321121
where:
bonds (distance) C4'-P energy: -50.047
bonds (distance) P-C4' energy: -61.447
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -35.237
tors. eta vs tors. theta energy: 12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1146.283010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.283010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.283010 (E_RNA)
where:
Base-Base interactions energy: -794.999
where: short stacking energy: -330.352
Base-Backbone interact. energy: -1.615
local terms energy: -349.668828
where:
bonds (distance) C4'-P energy: -61.352
bonds (distance) P-C4' energy: -71.354
flat angles C4'-P-C4' energy: -74.776
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -98.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1143.177285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.177285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.177285 (E_RNA)
where:
Base-Base interactions energy: -796.282
where: short stacking energy: -320.945
Base-Backbone interact. energy: 0.359
local terms energy: -349.166444
where:
bonds (distance) C4'-P energy: -64.311
bonds (distance) P-C4' energy: -65.116
flat angles C4'-P-C4' energy: -69.684
flat angles P-C4'-P energy: -46.098
tors. eta vs tors. theta energy: -103.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.912 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -996.090411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.090411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.090411 (E_RNA)
where:
Base-Base interactions energy: -667.274
where: short stacking energy: -280.969
Base-Backbone interact. energy: -0.344
local terms energy: -328.472250
where:
bonds (distance) C4'-P energy: -60.368
bonds (distance) P-C4' energy: -68.367
flat angles C4'-P-C4' energy: -66.184
flat angles P-C4'-P energy: -46.854
tors. eta vs tors. theta energy: -86.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -908.237766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.237766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.237766 (E_RNA)
where:
Base-Base interactions energy: -615.303
where: short stacking energy: -261.489
Base-Backbone interact. energy: 1.038
local terms energy: -293.972514
where:
bonds (distance) C4'-P energy: -66.341
bonds (distance) P-C4' energy: -56.283
flat angles C4'-P-C4' energy: -69.714
flat angles P-C4'-P energy: -45.378
tors. eta vs tors. theta energy: -56.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -896.473191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.473191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.473191 (E_RNA)
where:
Base-Base interactions energy: -593.424
where: short stacking energy: -254.188
Base-Backbone interact. energy: -0.145
local terms energy: -302.904176
where:
bonds (distance) C4'-P energy: -55.167
bonds (distance) P-C4' energy: -60.872
flat angles C4'-P-C4' energy: -70.303
flat angles P-C4'-P energy: -45.971
tors. eta vs tors. theta energy: -70.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -719.087486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.087486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.087486 (E_RNA)
where:
Base-Base interactions energy: -448.509
where: short stacking energy: -207.327
Base-Backbone interact. energy: -1.328
local terms energy: -269.250991
where:
bonds (distance) C4'-P energy: -57.846
bonds (distance) P-C4' energy: -66.552
flat angles C4'-P-C4' energy: -64.257
flat angles P-C4'-P energy: -35.377
tors. eta vs tors. theta energy: -45.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -601.699052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.699052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.699052 (E_RNA)
where:
Base-Base interactions energy: -352.308
where: short stacking energy: -175.737
Base-Backbone interact. energy: -2.723
local terms energy: -246.668127
where:
bonds (distance) C4'-P energy: -51.658
bonds (distance) P-C4' energy: -53.233
flat angles C4'-P-C4' energy: -70.403
flat angles P-C4'-P energy: -39.909
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -516.587549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.587549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.587549 (E_RNA)
where:
Base-Base interactions energy: -295.703
where: short stacking energy: -149.629
Base-Backbone interact. energy: 1.076
local terms energy: -221.960382
where:
bonds (distance) C4'-P energy: -54.828
bonds (distance) P-C4' energy: -42.052
flat angles C4'-P-C4' energy: -55.806
flat angles P-C4'-P energy: -41.399
tors. eta vs tors. theta energy: -27.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -300.687731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.687731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.687731 (E_RNA)
where:
Base-Base interactions energy: -101.433
where: short stacking energy: -77.805
Base-Backbone interact. energy: 1.276
local terms energy: -200.530892
where:
bonds (distance) C4'-P energy: -64.075
bonds (distance) P-C4' energy: -65.701
flat angles C4'-P-C4' energy: -46.697
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -8.902
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: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -278.862028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.862028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.862028 (E_RNA)
where:
Base-Base interactions energy: -84.607
where: short stacking energy: -73.985
Base-Backbone interact. energy: 0.348
local terms energy: -194.602571
where:
bonds (distance) C4'-P energy: -56.481
bonds (distance) P-C4' energy: -60.233
flat angles C4'-P-C4' energy: -55.200
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: 3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1157.236288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.236288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.236288 (E_RNA)
where:
Base-Base interactions energy: -796.583
where: short stacking energy: -326.169
Base-Backbone interact. energy: -0.492
local terms energy: -360.161622
where:
bonds (distance) C4'-P energy: -73.339
bonds (distance) P-C4' energy: -72.330
flat angles C4'-P-C4' energy: -73.701
flat angles P-C4'-P energy: -40.040
tors. eta vs tors. theta energy: -100.752
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: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1115.685519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.685519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.685519 (E_RNA)
where:
Base-Base interactions energy: -786.485
where: short stacking energy: -295.149
Base-Backbone interact. energy: -1.307
local terms energy: -327.893841
where:
bonds (distance) C4'-P energy: -50.346
bonds (distance) P-C4' energy: -62.956
flat angles C4'-P-C4' energy: -69.227
flat angles P-C4'-P energy: -53.563
tors. eta vs tors. theta energy: -91.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1000.520443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.520443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.520443 (E_RNA)
where:
Base-Base interactions energy: -681.220
where: short stacking energy: -287.598
Base-Backbone interact. energy: -0.750
local terms energy: -318.550537
where:
bonds (distance) C4'-P energy: -54.279
bonds (distance) P-C4' energy: -65.838
flat angles C4'-P-C4' energy: -63.690
flat angles P-C4'-P energy: -52.518
tors. eta vs tors. theta energy: -82.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -867.987711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.987711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.987711 (E_RNA)
where:
Base-Base interactions energy: -562.806
where: short stacking energy: -240.632
Base-Backbone interact. energy: -0.510
local terms energy: -304.671148
where:
bonds (distance) C4'-P energy: -67.014
bonds (distance) P-C4' energy: -58.755
flat angles C4'-P-C4' energy: -64.618
flat angles P-C4'-P energy: -45.843
tors. eta vs tors. theta energy: -68.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -926.202630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.202630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.202630 (E_RNA)
where:
Base-Base interactions energy: -605.571
where: short stacking energy: -269.133
Base-Backbone interact. energy: -1.468
local terms energy: -319.163462
where:
bonds (distance) C4'-P energy: -59.475
bonds (distance) P-C4' energy: -69.199
flat angles C4'-P-C4' energy: -61.386
flat angles P-C4'-P energy: -43.981
tors. eta vs tors. theta energy: -85.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -705.552497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.552497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.552497 (E_RNA)
where:
Base-Base interactions energy: -437.295
where: short stacking energy: -204.047
Base-Backbone interact. energy: 0.108
local terms energy: -268.562963
where:
bonds (distance) C4'-P energy: -44.741
bonds (distance) P-C4' energy: -59.618
flat angles C4'-P-C4' energy: -58.905
flat angles P-C4'-P energy: -46.805
tors. eta vs tors. theta energy: -58.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.197 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -551.770524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.770524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.770524 (E_RNA)
where:
Base-Base interactions energy: -317.411
where: short stacking energy: -150.199
Base-Backbone interact. energy: 3.959
local terms energy: -238.318392
where:
bonds (distance) C4'-P energy: -68.760
bonds (distance) P-C4' energy: -55.006
flat angles C4'-P-C4' energy: -55.847
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -571.068015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.068015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.068015 (E_RNA)
where:
Base-Base interactions energy: -337.548
where: short stacking energy: -172.939
Base-Backbone interact. energy: -1.286
local terms energy: -232.234605
where:
bonds (distance) C4'-P energy: -56.883
bonds (distance) P-C4' energy: -53.268
flat angles C4'-P-C4' energy: -62.144
flat angles P-C4'-P energy: -22.021
tors. eta vs tors. theta energy: -37.919
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: 332
Temperature: 1.300000
Total energy: -277.249838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.249838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.249838 (E_RNA)
where:
Base-Base interactions energy: -86.291
where: short stacking energy: -76.487
Base-Backbone interact. energy: -1.092
local terms energy: -189.866920
where:
bonds (distance) C4'-P energy: -55.988
bonds (distance) P-C4' energy: -60.491
flat angles C4'-P-C4' energy: -60.038
flat angles P-C4'-P energy: -28.625
tors. eta vs tors. theta energy: 15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -274.317759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.317759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.317759 (E_RNA)
where:
Base-Base interactions energy: -113.387
where: short stacking energy: -87.105
Base-Backbone interact. energy: 7.708
local terms energy: -168.639141
where:
bonds (distance) C4'-P energy: -49.671
bonds (distance) P-C4' energy: -49.371
flat angles C4'-P-C4' energy: -39.693
flat angles P-C4'-P energy: -33.125
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: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1171.113649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.113649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.113649 (E_RNA)
where:
Base-Base interactions energy: -813.933
where: short stacking energy: -323.645
Base-Backbone interact. energy: 0.683
local terms energy: -357.863244
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -71.544
flat angles C4'-P-C4' energy: -69.845
flat angles P-C4'-P energy: -49.615
tors. eta vs tors. theta energy: -105.715
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: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1102.677607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.677607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.677607 (E_RNA)
where:
Base-Base interactions energy: -740.048
where: short stacking energy: -298.454
Base-Backbone interact. energy: -0.533
local terms energy: -362.095787
where:
bonds (distance) C4'-P energy: -73.419
bonds (distance) P-C4' energy: -68.619
flat angles C4'-P-C4' energy: -64.907
flat angles P-C4'-P energy: -56.843
tors. eta vs tors. theta energy: -98.307
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: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1006.190755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.190755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.190755 (E_RNA)
where:
Base-Base interactions energy: -664.784
where: short stacking energy: -264.781
Base-Backbone interact. energy: -0.876
local terms energy: -340.530643
where:
bonds (distance) C4'-P energy: -69.830
bonds (distance) P-C4' energy: -69.915
flat angles C4'-P-C4' energy: -68.548
flat angles P-C4'-P energy: -49.735
tors. eta vs tors. theta energy: -82.502
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: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -959.784442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.784442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.784442 (E_RNA)
where:
Base-Base interactions energy: -632.049
where: short stacking energy: -267.412
Base-Backbone interact. energy: -0.248
local terms energy: -327.488318
where:
bonds (distance) C4'-P energy: -64.924
bonds (distance) P-C4' energy: -71.740
flat angles C4'-P-C4' energy: -69.221
flat angles P-C4'-P energy: -41.805
tors. eta vs tors. theta energy: -79.799
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: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -886.044026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.044026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.044026 (E_RNA)
where:
Base-Base interactions energy: -602.416
where: short stacking energy: -239.838
Base-Backbone interact. energy: -0.371
local terms energy: -283.257248
where:
bonds (distance) C4'-P energy: -64.817
bonds (distance) P-C4' energy: -51.844
flat angles C4'-P-C4' energy: -61.673
flat angles P-C4'-P energy: -44.762
tors. eta vs tors. theta energy: -60.160
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: 333
Temperature: 1.150000
Total energy: -733.952119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.952119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.952119 (E_RNA)
where:
Base-Base interactions energy: -460.464
where: short stacking energy: -200.866
Base-Backbone interact. energy: -0.228
local terms energy: -273.259882
where:
bonds (distance) C4'-P energy: -56.062
bonds (distance) P-C4' energy: -64.983
flat angles C4'-P-C4' energy: -65.471
flat angles P-C4'-P energy: -36.955
tors. eta vs tors. theta energy: -49.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -596.301300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.301300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.301300 (E_RNA)
where:
Base-Base interactions energy: -338.523
where: short stacking energy: -171.850
Base-Backbone interact. energy: -1.251
local terms energy: -256.527557
where:
bonds (distance) C4'-P energy: -37.438
bonds (distance) P-C4' energy: -65.823
flat angles C4'-P-C4' energy: -70.691
flat angles P-C4'-P energy: -46.081
tors. eta vs tors. theta energy: -36.495
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: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -532.159922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.159922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.159922 (E_RNA)
where:
Base-Base interactions energy: -300.391
where: short stacking energy: -146.258
Base-Backbone interact. energy: 1.687
local terms energy: -233.455133
where:
bonds (distance) C4'-P energy: -54.909
bonds (distance) P-C4' energy: -65.409
flat angles C4'-P-C4' energy: -66.841
flat angles P-C4'-P energy: -29.744
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -315.549848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.549848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.549848 (E_RNA)
where:
Base-Base interactions energy: -135.570
where: short stacking energy: -81.033
Base-Backbone interact. energy: -0.857
local terms energy: -179.122042
where:
bonds (distance) C4'-P energy: -55.700
bonds (distance) P-C4' energy: -66.158
flat angles C4'-P-C4' energy: -52.981
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: 15.380
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: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -293.469368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.469368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.469368 (E_RNA)
where:
Base-Base interactions energy: -93.510
where: short stacking energy: -73.340
Base-Backbone interact. energy: -0.467
local terms energy: -199.492735
where:
bonds (distance) C4'-P energy: -57.419
bonds (distance) P-C4' energy: -65.602
flat angles C4'-P-C4' energy: -41.720
flat angles P-C4'-P energy: -33.002
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1148.012422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.012422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.012422 (E_RNA)
where:
Base-Base interactions energy: -784.156
where: short stacking energy: -322.451
Base-Backbone interact. energy: 0.173
local terms energy: -364.029481
where:
bonds (distance) C4'-P energy: -72.291
bonds (distance) P-C4' energy: -64.334
flat angles C4'-P-C4' energy: -73.827
flat angles P-C4'-P energy: -50.816
tors. eta vs tors. theta energy: -102.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1111.169052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.169052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.169052 (E_RNA)
where:
Base-Base interactions energy: -757.438
where: short stacking energy: -311.459
Base-Backbone interact. energy: -0.467
local terms energy: -353.264074
where:
bonds (distance) C4'-P energy: -68.140
bonds (distance) P-C4' energy: -73.509
flat angles C4'-P-C4' energy: -61.708
flat angles P-C4'-P energy: -50.796
tors. eta vs tors. theta energy: -99.111
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: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -993.701455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.701455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.701455 (E_RNA)
where:
Base-Base interactions energy: -661.396
where: short stacking energy: -277.884
Base-Backbone interact. energy: -0.395
local terms energy: -331.910659
where:
bonds (distance) C4'-P energy: -61.120
bonds (distance) P-C4' energy: -70.369
flat angles C4'-P-C4' energy: -78.984
flat angles P-C4'-P energy: -40.878
tors. eta vs tors. theta energy: -80.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -977.603763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.603763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.603763 (E_RNA)
where:
Base-Base interactions energy: -666.443
where: short stacking energy: -273.692
Base-Backbone interact. energy: -0.105
local terms energy: -311.056106
where:
bonds (distance) C4'-P energy: -63.888
bonds (distance) P-C4' energy: -61.867
flat angles C4'-P-C4' energy: -63.946
flat angles P-C4'-P energy: -39.983
tors. eta vs tors. theta energy: -81.373
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: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -892.208147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.208147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.208147 (E_RNA)
where:
Base-Base interactions energy: -603.061
where: short stacking energy: -255.329
Base-Backbone interact. energy: -2.603
local terms energy: -286.544163
where:
bonds (distance) C4'-P energy: -58.115
bonds (distance) P-C4' energy: -57.545
flat angles C4'-P-C4' energy: -57.620
flat angles P-C4'-P energy: -40.657
tors. eta vs tors. theta energy: -72.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -663.428959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.428959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.428959 (E_RNA)
where:
Base-Base interactions energy: -398.187
where: short stacking energy: -192.375
Base-Backbone interact. energy: -0.869
local terms energy: -264.802967
where:
bonds (distance) C4'-P energy: -58.977
bonds (distance) P-C4' energy: -61.686
flat angles C4'-P-C4' energy: -59.516
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -44.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.431 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -596.960965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.960965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.960965 (E_RNA)
where:
Base-Base interactions energy: -361.184
where: short stacking energy: -166.188
Base-Backbone interact. energy: 1.735
local terms energy: -237.512683
where:
bonds (distance) C4'-P energy: -45.874
bonds (distance) P-C4' energy: -65.649
flat angles C4'-P-C4' energy: -50.033
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -35.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -487.192646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.192646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.192646 (E_RNA)
where:
Base-Base interactions energy: -273.673
where: short stacking energy: -133.262
Base-Backbone interact. energy: -0.960
local terms energy: -212.559421
where:
bonds (distance) C4'-P energy: -62.881
bonds (distance) P-C4' energy: -54.017
flat angles C4'-P-C4' energy: -58.531
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -5.546
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: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -338.424277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.424277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.424277 (E_RNA)
where:
Base-Base interactions energy: -143.589
where: short stacking energy: -93.438
Base-Backbone interact. energy: -1.843
local terms energy: -192.991891
where:
bonds (distance) C4'-P energy: -35.567
bonds (distance) P-C4' energy: -60.987
flat angles C4'-P-C4' energy: -51.781
flat angles P-C4'-P energy: -37.640
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -299.380493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.380493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.380493 (E_RNA)
where:
Base-Base interactions energy: -93.257
where: short stacking energy: -60.816
Base-Backbone interact. energy: 0.367
local terms energy: -206.490720
where:
bonds (distance) C4'-P energy: -49.874
bonds (distance) P-C4' energy: -60.847
flat angles C4'-P-C4' energy: -60.887
flat angles P-C4'-P energy: -32.377
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1166.248019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.248019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.248019 (E_RNA)
where:
Base-Base interactions energy: -790.748
where: short stacking energy: -333.549
Base-Backbone interact. energy: -2.613
local terms energy: -372.886507
where:
bonds (distance) C4'-P energy: -73.470
bonds (distance) P-C4' energy: -61.608
flat angles C4'-P-C4' energy: -79.610
flat angles P-C4'-P energy: -55.950
tors. eta vs tors. theta energy: -102.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1122.966721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.966721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.966721 (E_RNA)
where:
Base-Base interactions energy: -778.711
where: short stacking energy: -315.435
Base-Backbone interact. energy: 1.276
local terms energy: -345.531652
where:
bonds (distance) C4'-P energy: -59.716
bonds (distance) P-C4' energy: -70.298
flat angles C4'-P-C4' energy: -77.225
flat angles P-C4'-P energy: -36.614
tors. eta vs tors. theta energy: -101.678
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: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1006.010239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.010239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.010239 (E_RNA)
where:
Base-Base interactions energy: -672.909
where: short stacking energy: -297.785
Base-Backbone interact. energy: -0.634
local terms energy: -332.467627
where:
bonds (distance) C4'-P energy: -61.515
bonds (distance) P-C4' energy: -53.307
flat angles C4'-P-C4' energy: -68.846
flat angles P-C4'-P energy: -56.971
tors. eta vs tors. theta energy: -91.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -940.518663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.518663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.518663 (E_RNA)
where:
Base-Base interactions energy: -642.917
where: short stacking energy: -273.273
Base-Backbone interact. energy: -0.642
local terms energy: -296.959668
where:
bonds (distance) C4'-P energy: -53.526
bonds (distance) P-C4' energy: -65.000
flat angles C4'-P-C4' energy: -60.494
flat angles P-C4'-P energy: -46.061
tors. eta vs tors. theta energy: -71.880
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: 335
Temperature: 1.100000
Total energy: -903.218475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.218475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.218475 (E_RNA)
where:
Base-Base interactions energy: -607.730
where: short stacking energy: -246.228
Base-Backbone interact. energy: -1.050
local terms energy: -294.438687
where:
bonds (distance) C4'-P energy: -56.354
bonds (distance) P-C4' energy: -73.294
flat angles C4'-P-C4' energy: -58.969
flat angles P-C4'-P energy: -43.430
tors. eta vs tors. theta energy: -62.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -665.240466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.240466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.240466 (E_RNA)
where:
Base-Base interactions energy: -397.135
where: short stacking energy: -177.207
Base-Backbone interact. energy: -1.375
local terms energy: -268.181114
where:
bonds (distance) C4'-P energy: -62.410
bonds (distance) P-C4' energy: -65.143
flat angles C4'-P-C4' energy: -64.454
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -34.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.451 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -647.335720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.335720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.335720 (E_RNA)
where:
Base-Base interactions energy: -419.551
where: short stacking energy: -197.042
Base-Backbone interact. energy: -1.332
local terms energy: -226.452866
where:
bonds (distance) C4'-P energy: -47.826
bonds (distance) P-C4' energy: -52.701
flat angles C4'-P-C4' energy: -50.241
flat angles P-C4'-P energy: -44.898
tors. eta vs tors. theta energy: -30.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -529.167091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.167091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.167091 (E_RNA)
where:
Base-Base interactions energy: -291.128
where: short stacking energy: -154.217
Base-Backbone interact. energy: -1.864
local terms energy: -236.174847
where:
bonds (distance) C4'-P energy: -57.822
bonds (distance) P-C4' energy: -58.840
flat angles C4'-P-C4' energy: -54.427
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -23.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -286.812929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.812929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.812929 (E_RNA)
where:
Base-Base interactions energy: -97.276
where: short stacking energy: -72.599
Base-Backbone interact. energy: -1.196
local terms energy: -188.341365
where:
bonds (distance) C4'-P energy: -51.726
bonds (distance) P-C4' energy: -63.028
flat angles C4'-P-C4' energy: -49.715
flat angles P-C4'-P energy: -34.559
tors. eta vs tors. theta energy: 10.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -261.219999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.219999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.219999 (E_RNA)
where:
Base-Base interactions energy: -89.803
where: short stacking energy: -68.923
Base-Backbone interact. energy: 5.751
local terms energy: -177.167842
where:
bonds (distance) C4'-P energy: -65.166
bonds (distance) P-C4' energy: -50.217
flat angles C4'-P-C4' energy: -47.324
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: 18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1163.956585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.956585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.956585 (E_RNA)
where:
Base-Base interactions energy: -807.093
where: short stacking energy: -339.095
Base-Backbone interact. energy: -0.718
local terms energy: -356.145798
where:
bonds (distance) C4'-P energy: -69.017
bonds (distance) P-C4' energy: -57.677
flat angles C4'-P-C4' energy: -76.909
flat angles P-C4'-P energy: -49.635
tors. eta vs tors. theta energy: -102.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1117.112368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.112368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.112368 (E_RNA)
where:
Base-Base interactions energy: -785.140
where: short stacking energy: -314.748
Base-Backbone interact. energy: -1.394
local terms energy: -331.575824
where:
bonds (distance) C4'-P energy: -48.071
bonds (distance) P-C4' energy: -68.674
flat angles C4'-P-C4' energy: -76.180
flat angles P-C4'-P energy: -50.277
tors. eta vs tors. theta energy: -88.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.998 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1013.552218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.552218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.552218 (E_RNA)
where:
Base-Base interactions energy: -680.154
where: short stacking energy: -281.475
Base-Backbone interact. energy: -1.893
local terms energy: -331.504847
where:
bonds (distance) C4'-P energy: -61.223
bonds (distance) P-C4' energy: -63.616
flat angles C4'-P-C4' energy: -68.133
flat angles P-C4'-P energy: -48.069
tors. eta vs tors. theta energy: -90.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -954.673034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.673034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.673034 (E_RNA)
where:
Base-Base interactions energy: -660.682
where: short stacking energy: -267.849
Base-Backbone interact. energy: -1.653
local terms energy: -292.337621
where:
bonds (distance) C4'-P energy: -49.647
bonds (distance) P-C4' energy: -72.005
flat angles C4'-P-C4' energy: -68.174
flat angles P-C4'-P energy: -26.563
tors. eta vs tors. theta energy: -75.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -879.211678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.211678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.211678 (E_RNA)
where:
Base-Base interactions energy: -600.980
where: short stacking energy: -257.221
Base-Backbone interact. energy: -2.348
local terms energy: -275.883618
where:
bonds (distance) C4'-P energy: -47.818
bonds (distance) P-C4' energy: -54.031
flat angles C4'-P-C4' energy: -64.707
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -65.117
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: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -688.179127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.179127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.179127 (E_RNA)
where:
Base-Base interactions energy: -419.857
where: short stacking energy: -202.999
Base-Backbone interact. energy: -0.252
local terms energy: -268.069791
where:
bonds (distance) C4'-P energy: -51.319
bonds (distance) P-C4' energy: -62.051
flat angles C4'-P-C4' energy: -67.628
flat angles P-C4'-P energy: -41.198
tors. eta vs tors. theta energy: -45.874
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: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -655.357470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.357470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.357470 (E_RNA)
where:
Base-Base interactions energy: -407.440
where: short stacking energy: -192.428
Base-Backbone interact. energy: 2.351
local terms energy: -250.267982
where:
bonds (distance) C4'-P energy: -49.727
bonds (distance) P-C4' energy: -63.301
flat angles C4'-P-C4' energy: -66.398
flat angles P-C4'-P energy: -30.286
tors. eta vs tors. theta energy: -40.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -506.195654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.195654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.195654 (E_RNA)
where:
Base-Base interactions energy: -310.947
where: short stacking energy: -141.157
Base-Backbone interact. energy: -0.314
local terms energy: -194.945411
where:
bonds (distance) C4'-P energy: -43.934
bonds (distance) P-C4' energy: -55.837
flat angles C4'-P-C4' energy: -52.151
flat angles P-C4'-P energy: -28.407
tors. eta vs tors. theta energy: -14.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.010 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -283.751764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.751764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.751764 (E_RNA)
where:
Base-Base interactions energy: -83.109
where: short stacking energy: -65.065
Base-Backbone interact. energy: -1.278
local terms energy: -199.364759
where:
bonds (distance) C4'-P energy: -67.430
bonds (distance) P-C4' energy: -54.399
flat angles C4'-P-C4' energy: -53.754
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: 1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -269.037041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.037041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.037041 (E_RNA)
where:
Base-Base interactions energy: -87.444
where: short stacking energy: -85.126
Base-Backbone interact. energy: -1.121
local terms energy: -180.471683
where:
bonds (distance) C4'-P energy: -58.971
bonds (distance) P-C4' energy: -58.863
flat angles C4'-P-C4' energy: -42.773
flat angles P-C4'-P energy: -24.379
tors. eta vs tors. theta energy: 4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1150.600411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.600411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.600411 (E_RNA)
where:
Base-Base interactions energy: -812.610
where: short stacking energy: -324.355
Base-Backbone interact. energy: -0.913
local terms energy: -337.077601
where:
bonds (distance) C4'-P energy: -55.699
bonds (distance) P-C4' energy: -71.072
flat angles C4'-P-C4' energy: -61.321
flat angles P-C4'-P energy: -52.140
tors. eta vs tors. theta energy: -96.847
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: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1132.419712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.419712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.419712 (E_RNA)
where:
Base-Base interactions energy: -801.165
where: short stacking energy: -318.329
Base-Backbone interact. energy: -0.479
local terms energy: -330.776571
where:
bonds (distance) C4'-P energy: -61.065
bonds (distance) P-C4' energy: -72.055
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -39.429
tors. eta vs tors. theta energy: -96.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -995.077261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.077261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.077261 (E_RNA)
where:
Base-Base interactions energy: -667.699
where: short stacking energy: -288.678
Base-Backbone interact. energy: -0.573
local terms energy: -326.805615
where:
bonds (distance) C4'-P energy: -63.773
bonds (distance) P-C4' energy: -57.612
flat angles C4'-P-C4' energy: -71.812
flat angles P-C4'-P energy: -40.594
tors. eta vs tors. theta energy: -93.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -955.790834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.790834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.790834 (E_RNA)
where:
Base-Base interactions energy: -656.529
where: short stacking energy: -285.671
Base-Backbone interact. energy: 0.901
local terms energy: -300.163616
where:
bonds (distance) C4'-P energy: -60.844
bonds (distance) P-C4' energy: -50.458
flat angles C4'-P-C4' energy: -74.724
flat angles P-C4'-P energy: -37.384
tors. eta vs tors. theta energy: -76.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -934.292700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.292700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.292700 (E_RNA)
where:
Base-Base interactions energy: -615.940
where: short stacking energy: -251.080
Base-Backbone interact. energy: -0.860
local terms energy: -317.492561
where:
bonds (distance) C4'-P energy: -59.310
bonds (distance) P-C4' energy: -72.221
flat angles C4'-P-C4' energy: -66.187
flat angles P-C4'-P energy: -47.523
tors. eta vs tors. theta energy: -72.252
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: 337
Temperature: 1.150000
Total energy: -700.526742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.526742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.526742 (E_RNA)
where:
Base-Base interactions energy: -418.814
where: short stacking energy: -205.117
Base-Backbone interact. energy: 1.561
local terms energy: -283.728056
where:
bonds (distance) C4'-P energy: -65.689
bonds (distance) P-C4' energy: -50.930
flat angles C4'-P-C4' energy: -72.581
flat angles P-C4'-P energy: -38.198
tors. eta vs tors. theta energy: -56.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.455 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -671.637132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.637132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.637132 (E_RNA)
where:
Base-Base interactions energy: -422.475
where: short stacking energy: -188.126
Base-Backbone interact. energy: -2.873
local terms energy: -246.288920
where:
bonds (distance) C4'-P energy: -51.904
bonds (distance) P-C4' energy: -58.945
flat angles C4'-P-C4' energy: -58.597
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -43.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -494.054148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.054148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.054148 (E_RNA)
where:
Base-Base interactions energy: -297.137
where: short stacking energy: -142.086
Base-Backbone interact. energy: 0.107
local terms energy: -197.024472
where:
bonds (distance) C4'-P energy: -48.152
bonds (distance) P-C4' energy: -58.224
flat angles C4'-P-C4' energy: -49.755
flat angles P-C4'-P energy: -24.997
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: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -271.904787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.904787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.904787 (E_RNA)
where:
Base-Base interactions energy: -78.486
where: short stacking energy: -59.734
Base-Backbone interact. energy: -1.271
local terms energy: -193.884011
where:
bonds (distance) C4'-P energy: -58.167
bonds (distance) P-C4' energy: -55.408
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -36.017
tors. eta vs tors. theta energy: 11.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.735 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -278.189529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.189529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.189529 (E_RNA)
where:
Base-Base interactions energy: -100.994
where: short stacking energy: -71.706
Base-Backbone interact. energy: -0.791
local terms energy: -176.404320
where:
bonds (distance) C4'-P energy: -57.937
bonds (distance) P-C4' energy: -64.632
flat angles C4'-P-C4' energy: -45.335
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: 13.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1150.676000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.676000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.676000 (E_RNA)
where:
Base-Base interactions energy: -801.557
where: short stacking energy: -317.276
Base-Backbone interact. energy: 0.010
local terms energy: -349.129148
where:
bonds (distance) C4'-P energy: -66.324
bonds (distance) P-C4' energy: -60.837
flat angles C4'-P-C4' energy: -70.291
flat angles P-C4'-P energy: -57.224
tors. eta vs tors. theta energy: -94.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1130.196789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.196789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.196789 (E_RNA)
where:
Base-Base interactions energy: -755.148
where: short stacking energy: -313.351
Base-Backbone interact. energy: -0.755
local terms energy: -374.294137
where:
bonds (distance) C4'-P energy: -79.284
bonds (distance) P-C4' energy: -70.699
flat angles C4'-P-C4' energy: -75.956
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -99.712
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: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -996.683634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.683634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.683634 (E_RNA)
where:
Base-Base interactions energy: -663.930
where: short stacking energy: -296.948
Base-Backbone interact. energy: 0.047
local terms energy: -332.800379
where:
bonds (distance) C4'-P energy: -62.601
bonds (distance) P-C4' energy: -62.994
flat angles C4'-P-C4' energy: -68.071
flat angles P-C4'-P energy: -43.484
tors. eta vs tors. theta energy: -95.650
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: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -957.837380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.837380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.837380 (E_RNA)
where:
Base-Base interactions energy: -651.645
where: short stacking energy: -283.969
Base-Backbone interact. energy: -1.691
local terms energy: -304.501488
where:
bonds (distance) C4'-P energy: -58.171
bonds (distance) P-C4' energy: -60.382
flat angles C4'-P-C4' energy: -59.548
flat angles P-C4'-P energy: -38.492
tors. eta vs tors. theta energy: -87.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -906.851520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.851520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.851520 (E_RNA)
where:
Base-Base interactions energy: -580.028
where: short stacking energy: -239.972
Base-Backbone interact. energy: -0.419
local terms energy: -326.404554
where:
bonds (distance) C4'-P energy: -69.314
bonds (distance) P-C4' energy: -63.850
flat angles C4'-P-C4' energy: -73.254
flat angles P-C4'-P energy: -48.786
tors. eta vs tors. theta energy: -71.202
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: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -713.206144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.206144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.206144 (E_RNA)
where:
Base-Base interactions energy: -442.135
where: short stacking energy: -220.012
Base-Backbone interact. energy: -1.623
local terms energy: -270.351227
where:
bonds (distance) C4'-P energy: -50.432
bonds (distance) P-C4' energy: -60.068
flat angles C4'-P-C4' energy: -65.925
flat angles P-C4'-P energy: -31.336
tors. eta vs tors. theta energy: -62.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.903 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -655.967580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.967580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.967580 (E_RNA)
where:
Base-Base interactions energy: -396.791
where: short stacking energy: -179.325
Base-Backbone interact. energy: -0.940
local terms energy: -258.557116
where:
bonds (distance) C4'-P energy: -62.208
bonds (distance) P-C4' energy: -59.276
flat angles C4'-P-C4' energy: -62.148
flat angles P-C4'-P energy: -35.704
tors. eta vs tors. theta energy: -39.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.320 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -522.952141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.952141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.952141 (E_RNA)
where:
Base-Base interactions energy: -294.114
where: short stacking energy: -144.077
Base-Backbone interact. energy: -0.617
local terms energy: -228.220719
where:
bonds (distance) C4'-P energy: -40.175
bonds (distance) P-C4' energy: -59.781
flat angles C4'-P-C4' energy: -62.266
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -26.160
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: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -272.114199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.114199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.114199 (E_RNA)
where:
Base-Base interactions energy: -75.445
where: short stacking energy: -58.112
Base-Backbone interact. energy: 0.120
local terms energy: -196.789155
where:
bonds (distance) C4'-P energy: -56.389
bonds (distance) P-C4' energy: -42.328
flat angles C4'-P-C4' energy: -63.559
flat angles P-C4'-P energy: -44.097
tors. eta vs tors. theta energy: 9.583
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: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -307.160912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.160912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.160912 (E_RNA)
where:
Base-Base interactions energy: -119.618
where: short stacking energy: -102.421
Base-Backbone interact. energy: -0.985
local terms energy: -186.557778
where:
bonds (distance) C4'-P energy: -50.434
bonds (distance) P-C4' energy: -63.049
flat angles C4'-P-C4' energy: -46.729
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: 6.935
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: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1154.740632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.740632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.740632 (E_RNA)
where:
Base-Base interactions energy: -789.441
where: short stacking energy: -331.841
Base-Backbone interact. energy: -0.193
local terms energy: -365.106813
where:
bonds (distance) C4'-P energy: -71.031
bonds (distance) P-C4' energy: -59.677
flat angles C4'-P-C4' energy: -72.654
flat angles P-C4'-P energy: -52.377
tors. eta vs tors. theta energy: -109.369
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: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1115.953870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.953870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.953870 (E_RNA)
where:
Base-Base interactions energy: -765.108
where: short stacking energy: -332.594
Base-Backbone interact. energy: 2.819
local terms energy: -353.664802
where:
bonds (distance) C4'-P energy: -69.765
bonds (distance) P-C4' energy: -54.887
flat angles C4'-P-C4' energy: -70.256
flat angles P-C4'-P energy: -51.445
tors. eta vs tors. theta energy: -107.312
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: 339
Temperature: 1.000000
Total energy: -1006.740780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.740780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.740780 (E_RNA)
where:
Base-Base interactions energy: -682.878
where: short stacking energy: -292.475
Base-Backbone interact. energy: -0.656
local terms energy: -323.206067
where:
bonds (distance) C4'-P energy: -53.637
bonds (distance) P-C4' energy: -69.163
flat angles C4'-P-C4' energy: -72.199
flat angles P-C4'-P energy: -51.560
tors. eta vs tors. theta energy: -76.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -966.436076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.436076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.436076 (E_RNA)
where:
Base-Base interactions energy: -640.610
where: short stacking energy: -275.410
Base-Backbone interact. energy: 0.072
local terms energy: -325.898340
where:
bonds (distance) C4'-P energy: -66.116
bonds (distance) P-C4' energy: -66.797
flat angles C4'-P-C4' energy: -76.202
flat angles P-C4'-P energy: -38.198
tors. eta vs tors. theta energy: -78.585
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: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -892.739692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.739692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.739692 (E_RNA)
where:
Base-Base interactions energy: -586.726
where: short stacking energy: -240.400
Base-Backbone interact. energy: -2.317
local terms energy: -303.696640
where:
bonds (distance) C4'-P energy: -70.830
bonds (distance) P-C4' energy: -55.720
flat angles C4'-P-C4' energy: -62.848
flat angles P-C4'-P energy: -48.507
tors. eta vs tors. theta energy: -65.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -721.185216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.185216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.185216 (E_RNA)
where:
Base-Base interactions energy: -445.575
where: short stacking energy: -204.985
Base-Backbone interact. energy: 0.161
local terms energy: -275.771749
where:
bonds (distance) C4'-P energy: -51.543
bonds (distance) P-C4' energy: -62.493
flat angles C4'-P-C4' energy: -56.358
flat angles P-C4'-P energy: -48.965
tors. eta vs tors. theta energy: -56.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -617.914796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.914796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.914796 (E_RNA)
where:
Base-Base interactions energy: -360.904
where: short stacking energy: -174.561
Base-Backbone interact. energy: -1.938
local terms energy: -255.202701
where:
bonds (distance) C4'-P energy: -51.408
bonds (distance) P-C4' energy: -71.215
flat angles C4'-P-C4' energy: -55.477
flat angles P-C4'-P energy: -27.054
tors. eta vs tors. theta energy: -50.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.130 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -507.738525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.738525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.738525 (E_RNA)
where:
Base-Base interactions energy: -300.416
where: short stacking energy: -134.315
Base-Backbone interact. energy: 1.273
local terms energy: -208.595717
where:
bonds (distance) C4'-P energy: -45.050
bonds (distance) P-C4' energy: -54.706
flat angles C4'-P-C4' energy: -56.757
flat angles P-C4'-P energy: -36.226
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -289.385224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.385224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.385224 (E_RNA)
where:
Base-Base interactions energy: -125.599
where: short stacking energy: -86.023
Base-Backbone interact. energy: -0.278
local terms energy: -163.508514
where:
bonds (distance) C4'-P energy: -37.131
bonds (distance) P-C4' energy: -64.144
flat angles C4'-P-C4' energy: -37.049
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: 2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -260.506556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.506556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.506556 (E_RNA)
where:
Base-Base interactions energy: -87.716
where: short stacking energy: -68.279
Base-Backbone interact. energy: -0.450
local terms energy: -172.340841
where:
bonds (distance) C4'-P energy: -50.532
bonds (distance) P-C4' energy: -56.281
flat angles C4'-P-C4' energy: -51.378
flat angles P-C4'-P energy: -36.216
tors. eta vs tors. theta energy: 22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1148.446023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.446023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.446023 (E_RNA)
where:
Base-Base interactions energy: -786.253
where: short stacking energy: -322.245
Base-Backbone interact. energy: 0.142
local terms energy: -362.335387
where:
bonds (distance) C4'-P energy: -64.985
bonds (distance) P-C4' energy: -69.808
flat angles C4'-P-C4' energy: -74.871
flat angles P-C4'-P energy: -52.554
tors. eta vs tors. theta energy: -100.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1128.364905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.364905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.364905 (E_RNA)
where:
Base-Base interactions energy: -767.882
where: short stacking energy: -321.576
Base-Backbone interact. energy: -1.656
local terms energy: -358.827097
where:
bonds (distance) C4'-P energy: -61.859
bonds (distance) P-C4' energy: -69.230
flat angles C4'-P-C4' energy: -67.673
flat angles P-C4'-P energy: -58.380
tors. eta vs tors. theta energy: -101.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1021.785852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.785852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.785852 (E_RNA)
where:
Base-Base interactions energy: -683.385
where: short stacking energy: -290.905
Base-Backbone interact. energy: 0.315
local terms energy: -338.716700
where:
bonds (distance) C4'-P energy: -63.806
bonds (distance) P-C4' energy: -71.634
flat angles C4'-P-C4' energy: -72.531
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: -88.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -934.541306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.541306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.541306 (E_RNA)
where:
Base-Base interactions energy: -629.478
where: short stacking energy: -270.994
Base-Backbone interact. energy: -1.295
local terms energy: -303.768452
where:
bonds (distance) C4'-P energy: -66.034
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -69.198
flat angles P-C4'-P energy: -46.104
tors. eta vs tors. theta energy: -66.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -889.920484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.920484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.920484 (E_RNA)
where:
Base-Base interactions energy: -580.380
where: short stacking energy: -266.436
Base-Backbone interact. energy: -1.512
local terms energy: -308.028118
where:
bonds (distance) C4'-P energy: -59.470
bonds (distance) P-C4' energy: -59.354
flat angles C4'-P-C4' energy: -70.084
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -74.942
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: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -722.083571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.083571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.083571 (E_RNA)
where:
Base-Base interactions energy: -433.103
where: short stacking energy: -201.074
Base-Backbone interact. energy: -1.692
local terms energy: -287.289083
where:
bonds (distance) C4'-P energy: -73.517
bonds (distance) P-C4' energy: -63.639
flat angles C4'-P-C4' energy: -53.374
flat angles P-C4'-P energy: -48.050
tors. eta vs tors. theta energy: -48.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -639.520562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.520562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.520562 (E_RNA)
where:
Base-Base interactions energy: -382.926
where: short stacking energy: -162.041
Base-Backbone interact. energy: -0.957
local terms energy: -255.637441
where:
bonds (distance) C4'-P energy: -62.968
bonds (distance) P-C4' energy: -58.441
flat angles C4'-P-C4' energy: -57.348
flat angles P-C4'-P energy: -39.109
tors. eta vs tors. theta energy: -37.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -495.264607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.264607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.264607 (E_RNA)
where:
Base-Base interactions energy: -270.227
where: short stacking energy: -132.096
Base-Backbone interact. energy: -2.047
local terms energy: -222.990694
where:
bonds (distance) C4'-P energy: -50.490
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -45.690
flat angles P-C4'-P energy: -36.025
tors. eta vs tors. theta energy: -27.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -291.411382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.411382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.411382 (E_RNA)
where:
Base-Base interactions energy: -104.712
where: short stacking energy: -62.462
Base-Backbone interact. energy: -1.449
local terms energy: -185.250305
where:
bonds (distance) C4'-P energy: -55.186
bonds (distance) P-C4' energy: -67.167
flat angles C4'-P-C4' energy: -44.194
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: 12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -279.543876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.543876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.543876 (E_RNA)
where:
Base-Base interactions energy: -90.133
where: short stacking energy: -57.429
Base-Backbone interact. energy: 0.301
local terms energy: -189.711388
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -70.308
flat angles C4'-P-C4' energy: -49.892
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: 6.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1153.886336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.886336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.886336 (E_RNA)
where:
Base-Base interactions energy: -803.085
where: short stacking energy: -334.176
Base-Backbone interact. energy: -0.316
local terms energy: -350.484706
where:
bonds (distance) C4'-P energy: -70.404
bonds (distance) P-C4' energy: -56.371
flat angles C4'-P-C4' energy: -77.578
flat angles P-C4'-P energy: -45.836
tors. eta vs tors. theta energy: -100.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1107.070690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.070690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.070690 (E_RNA)
where:
Base-Base interactions energy: -749.780
where: short stacking energy: -303.941
Base-Backbone interact. energy: -0.722
local terms energy: -356.568595
where:
bonds (distance) C4'-P energy: -66.727
bonds (distance) P-C4' energy: -62.247
flat angles C4'-P-C4' energy: -67.819
flat angles P-C4'-P energy: -50.102
tors. eta vs tors. theta energy: -109.674
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: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -969.642607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.642607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.642607 (E_RNA)
where:
Base-Base interactions energy: -655.003
where: short stacking energy: -275.977
Base-Backbone interact. energy: 0.953
local terms energy: -315.592766
where:
bonds (distance) C4'-P energy: -59.902
bonds (distance) P-C4' energy: -68.287
flat angles C4'-P-C4' energy: -65.545
flat angles P-C4'-P energy: -47.323
tors. eta vs tors. theta energy: -74.535
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: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -930.077782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.077782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.077782 (E_RNA)
where:
Base-Base interactions energy: -612.050
where: short stacking energy: -254.415
Base-Backbone interact. energy: -0.744
local terms energy: -317.283813
where:
bonds (distance) C4'-P energy: -56.935
bonds (distance) P-C4' energy: -67.646
flat angles C4'-P-C4' energy: -69.564
flat angles P-C4'-P energy: -47.301
tors. eta vs tors. theta energy: -75.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -902.714519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.714519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.714519 (E_RNA)
where:
Base-Base interactions energy: -588.902
where: short stacking energy: -265.899
Base-Backbone interact. energy: 1.119
local terms energy: -314.931987
where:
bonds (distance) C4'-P energy: -66.514
bonds (distance) P-C4' energy: -70.858
flat angles C4'-P-C4' energy: -63.168
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -77.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -686.063250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.063250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.063250 (E_RNA)
where:
Base-Base interactions energy: -440.029
where: short stacking energy: -192.964
Base-Backbone interact. energy: -1.900
local terms energy: -244.134023
where:
bonds (distance) C4'-P energy: -51.435
bonds (distance) P-C4' energy: -43.887
flat angles C4'-P-C4' energy: -62.352
flat angles P-C4'-P energy: -37.803
tors. eta vs tors. theta energy: -48.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -677.723016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.723016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.723016 (E_RNA)
where:
Base-Base interactions energy: -412.001
where: short stacking energy: -204.757
Base-Backbone interact. energy: -0.476
local terms energy: -265.246438
where:
bonds (distance) C4'-P energy: -64.423
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -60.401
flat angles P-C4'-P energy: -38.389
tors. eta vs tors. theta energy: -49.465
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: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -534.363176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.363176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.363176 (E_RNA)
where:
Base-Base interactions energy: -308.902
where: short stacking energy: -159.191
Base-Backbone interact. energy: 0.332
local terms energy: -225.793420
where:
bonds (distance) C4'-P energy: -51.254
bonds (distance) P-C4' energy: -57.495
flat angles C4'-P-C4' energy: -49.983
flat angles P-C4'-P energy: -41.397
tors. eta vs tors. theta energy: -25.664
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: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -282.497276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.497276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.497276 (E_RNA)
where:
Base-Base interactions energy: -104.733
where: short stacking energy: -81.863
Base-Backbone interact. energy: -1.001
local terms energy: -176.763419
where:
bonds (distance) C4'-P energy: -51.479
bonds (distance) P-C4' energy: -50.446
flat angles C4'-P-C4' energy: -56.823
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: 11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -268.633748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.633748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.633748 (E_RNA)
where:
Base-Base interactions energy: -106.142
where: short stacking energy: -70.989
Base-Backbone interact. energy: 0.396
local terms energy: -162.886801
where:
bonds (distance) C4'-P energy: -52.512
bonds (distance) P-C4' energy: -49.051
flat angles C4'-P-C4' energy: -38.938
flat angles P-C4'-P energy: -32.744
tors. eta vs tors. theta energy: 10.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1135.297139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.297139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.297139 (E_RNA)
where:
Base-Base interactions energy: -767.627
where: short stacking energy: -325.004
Base-Backbone interact. energy: -0.498
local terms energy: -367.172023
where:
bonds (distance) C4'-P energy: -74.243
bonds (distance) P-C4' energy: -63.153
flat angles C4'-P-C4' energy: -73.637
flat angles P-C4'-P energy: -53.613
tors. eta vs tors. theta energy: -102.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1141.896079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.896079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.896079 (E_RNA)
where:
Base-Base interactions energy: -775.650
where: short stacking energy: -326.470
Base-Backbone interact. energy: -1.236
local terms energy: -365.009618
where:
bonds (distance) C4'-P energy: -62.696
bonds (distance) P-C4' energy: -63.056
flat angles C4'-P-C4' energy: -80.800
flat angles P-C4'-P energy: -50.768
tors. eta vs tors. theta energy: -107.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -988.104746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.104746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.104746 (E_RNA)
where:
Base-Base interactions energy: -647.939
where: short stacking energy: -273.682
Base-Backbone interact. energy: -0.924
local terms energy: -339.241404
where:
bonds (distance) C4'-P energy: -65.003
bonds (distance) P-C4' energy: -70.832
flat angles C4'-P-C4' energy: -68.011
flat angles P-C4'-P energy: -49.591
tors. eta vs tors. theta energy: -85.804
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: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -921.553179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.553179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.553179 (E_RNA)
where:
Base-Base interactions energy: -604.300
where: short stacking energy: -259.589
Base-Backbone interact. energy: 0.688
local terms energy: -317.941126
where:
bonds (distance) C4'-P energy: -64.202
bonds (distance) P-C4' energy: -61.888
flat angles C4'-P-C4' energy: -66.610
flat angles P-C4'-P energy: -44.345
tors. eta vs tors. theta energy: -80.896
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: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -929.558100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.558100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.558100 (E_RNA)
where:
Base-Base interactions energy: -635.784
where: short stacking energy: -290.803
Base-Backbone interact. energy: -0.432
local terms energy: -293.341645
where:
bonds (distance) C4'-P energy: -64.590
bonds (distance) P-C4' energy: -51.207
flat angles C4'-P-C4' energy: -69.463
flat angles P-C4'-P energy: -31.081
tors. eta vs tors. theta energy: -77.000
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: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -705.210550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.210550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.210550 (E_RNA)
where:
Base-Base interactions energy: -442.769
where: short stacking energy: -213.976
Base-Backbone interact. energy: -1.807
local terms energy: -260.635364
where:
bonds (distance) C4'-P energy: -56.088
bonds (distance) P-C4' energy: -57.928
flat angles C4'-P-C4' energy: -53.371
flat angles P-C4'-P energy: -44.748
tors. eta vs tors. theta energy: -48.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -678.219413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.219413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.219413 (E_RNA)
where:
Base-Base interactions energy: -423.802
where: short stacking energy: -206.674
Base-Backbone interact. energy: -0.111
local terms energy: -254.305489
where:
bonds (distance) C4'-P energy: -56.754
bonds (distance) P-C4' energy: -58.360
flat angles C4'-P-C4' energy: -62.759
flat angles P-C4'-P energy: -27.786
tors. eta vs tors. theta energy: -48.647
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: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -537.003257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.003257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.003257 (E_RNA)
where:
Base-Base interactions energy: -309.492
where: short stacking energy: -147.348
Base-Backbone interact. energy: 2.510
local terms energy: -230.020486
where:
bonds (distance) C4'-P energy: -54.870
bonds (distance) P-C4' energy: -65.676
flat angles C4'-P-C4' energy: -61.957
flat angles P-C4'-P energy: -26.963
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: 9, replica: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -289.809565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.809565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.809565 (E_RNA)
where:
Base-Base interactions energy: -124.401
where: short stacking energy: -73.664
Base-Backbone interact. energy: -1.440
local terms energy: -163.968790
where:
bonds (distance) C4'-P energy: -45.217
bonds (distance) P-C4' energy: -56.781
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -30.869
tors. eta vs tors. theta energy: 0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -273.145101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.145101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.145101 (E_RNA)
where:
Base-Base interactions energy: -98.377
where: short stacking energy: -76.261
Base-Backbone interact. energy: -2.441
local terms energy: -172.326942
where:
bonds (distance) C4'-P energy: -40.378
bonds (distance) P-C4' energy: -60.288
flat angles C4'-P-C4' energy: -39.413
flat angles P-C4'-P energy: -34.662
tors. eta vs tors. theta energy: 2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1143.286605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.286605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.286605 (E_RNA)
where:
Base-Base interactions energy: -785.898
where: short stacking energy: -330.682
Base-Backbone interact. energy: -0.299
local terms energy: -357.089801
where:
bonds (distance) C4'-P energy: -66.869
bonds (distance) P-C4' energy: -70.122
flat angles C4'-P-C4' energy: -74.330
flat angles P-C4'-P energy: -47.895
tors. eta vs tors. theta energy: -97.874
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: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1108.939559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.939559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.939559 (E_RNA)
where:
Base-Base interactions energy: -749.605
where: short stacking energy: -314.424
Base-Backbone interact. energy: -0.519
local terms energy: -358.815202
where:
bonds (distance) C4'-P energy: -60.296
bonds (distance) P-C4' energy: -71.598
flat angles C4'-P-C4' energy: -73.927
flat angles P-C4'-P energy: -56.468
tors. eta vs tors. theta energy: -96.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -986.360659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.360659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.360659 (E_RNA)
where:
Base-Base interactions energy: -653.411
where: short stacking energy: -283.518
Base-Backbone interact. energy: -0.411
local terms energy: -332.538925
where:
bonds (distance) C4'-P energy: -67.008
bonds (distance) P-C4' energy: -70.192
flat angles C4'-P-C4' energy: -72.211
flat angles P-C4'-P energy: -43.763
tors. eta vs tors. theta energy: -79.365
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: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -925.580722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.580722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.580722 (E_RNA)
where:
Base-Base interactions energy: -613.872
where: short stacking energy: -276.650
Base-Backbone interact. energy: -0.630
local terms energy: -311.078690
where:
bonds (distance) C4'-P energy: -54.524
bonds (distance) P-C4' energy: -60.404
flat angles C4'-P-C4' energy: -69.097
flat angles P-C4'-P energy: -52.154
tors. eta vs tors. theta energy: -74.900
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: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -901.828518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.828518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.828518 (E_RNA)
where:
Base-Base interactions energy: -616.553
where: short stacking energy: -271.217
Base-Backbone interact. energy: -0.053
local terms energy: -285.222172
where:
bonds (distance) C4'-P energy: -53.719
bonds (distance) P-C4' energy: -58.876
flat angles C4'-P-C4' energy: -63.935
flat angles P-C4'-P energy: -31.344
tors. eta vs tors. theta energy: -77.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -702.452498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.452498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.452498 (E_RNA)
where:
Base-Base interactions energy: -441.262
where: short stacking energy: -202.581
Base-Backbone interact. energy: 3.311
local terms energy: -264.500866
where:
bonds (distance) C4'-P energy: -53.774
bonds (distance) P-C4' energy: -64.993
flat angles C4'-P-C4' energy: -64.096
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -43.693
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: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -685.239016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.239016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.239016 (E_RNA)
where:
Base-Base interactions energy: -413.296
where: short stacking energy: -198.183
Base-Backbone interact. energy: -0.484
local terms energy: -271.458685
where:
bonds (distance) C4'-P energy: -63.398
bonds (distance) P-C4' energy: -58.767
flat angles C4'-P-C4' energy: -58.084
flat angles P-C4'-P energy: -41.317
tors. eta vs tors. theta energy: -49.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -520.267864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.267864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.267864 (E_RNA)
where:
Base-Base interactions energy: -306.245
where: short stacking energy: -159.220
Base-Backbone interact. energy: -0.382
local terms energy: -213.641094
where:
bonds (distance) C4'-P energy: -41.484
bonds (distance) P-C4' energy: -53.817
flat angles C4'-P-C4' energy: -57.948
flat angles P-C4'-P energy: -28.083
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: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -315.481825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.481825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.481825 (E_RNA)
where:
Base-Base interactions energy: -125.208
where: short stacking energy: -84.797
Base-Backbone interact. energy: -0.698
local terms energy: -189.576558
where:
bonds (distance) C4'-P energy: -59.021
bonds (distance) P-C4' energy: -62.537
flat angles C4'-P-C4' energy: -52.411
flat angles P-C4'-P energy: -28.051
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: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -252.121079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.121079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.121079 (E_RNA)
where:
Base-Base interactions energy: -87.493
where: short stacking energy: -75.112
Base-Backbone interact. energy: 2.416
local terms energy: -167.043870
where:
bonds (distance) C4'-P energy: -56.541
bonds (distance) P-C4' energy: -53.524
flat angles C4'-P-C4' energy: -42.982
flat angles P-C4'-P energy: -28.159
tors. eta vs tors. theta energy: 14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1142.736728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.736728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.736728 (E_RNA)
where:
Base-Base interactions energy: -775.299
where: short stacking energy: -306.113
Base-Backbone interact. energy: -0.197
local terms energy: -367.240717
where:
bonds (distance) C4'-P energy: -71.532
bonds (distance) P-C4' energy: -76.725
flat angles C4'-P-C4' energy: -69.443
flat angles P-C4'-P energy: -52.595
tors. eta vs tors. theta energy: -96.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1143.743378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.743378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.743378 (E_RNA)
where:
Base-Base interactions energy: -778.505
where: short stacking energy: -316.184
Base-Backbone interact. energy: -1.777
local terms energy: -363.461793
where:
bonds (distance) C4'-P energy: -61.997
bonds (distance) P-C4' energy: -71.577
flat angles C4'-P-C4' energy: -70.880
flat angles P-C4'-P energy: -52.106
tors. eta vs tors. theta energy: -106.902
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: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -992.797085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.797085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.797085 (E_RNA)
where:
Base-Base interactions energy: -680.453
where: short stacking energy: -281.798
Base-Backbone interact. energy: -1.911
local terms energy: -310.433622
where:
bonds (distance) C4'-P energy: -64.150
bonds (distance) P-C4' energy: -54.706
flat angles C4'-P-C4' energy: -61.076
flat angles P-C4'-P energy: -47.294
tors. eta vs tors. theta energy: -83.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -881.826073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.826073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.826073 (E_RNA)
where:
Base-Base interactions energy: -577.556
where: short stacking energy: -230.703
Base-Backbone interact. energy: -1.913
local terms energy: -302.356798
where:
bonds (distance) C4'-P energy: -61.200
bonds (distance) P-C4' energy: -57.625
flat angles C4'-P-C4' energy: -69.538
flat angles P-C4'-P energy: -46.208
tors. eta vs tors. theta energy: -67.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -876.670801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.670801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.670801 (E_RNA)
where:
Base-Base interactions energy: -595.626
where: short stacking energy: -218.645
Base-Backbone interact. energy: -0.607
local terms energy: -280.438224
where:
bonds (distance) C4'-P energy: -57.134
bonds (distance) P-C4' energy: -61.060
flat angles C4'-P-C4' energy: -61.510
flat angles P-C4'-P energy: -36.585
tors. eta vs tors. theta energy: -64.150
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: 344
Temperature: 1.150000
Total energy: -717.344603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.344603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.344603 (E_RNA)
where:
Base-Base interactions energy: -447.502
where: short stacking energy: -214.377
Base-Backbone interact. energy: -1.207
local terms energy: -268.635702
where:
bonds (distance) C4'-P energy: -52.744
bonds (distance) P-C4' energy: -50.867
flat angles C4'-P-C4' energy: -66.925
flat angles P-C4'-P energy: -41.416
tors. eta vs tors. theta energy: -56.683
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: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -689.340064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.340064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.340064 (E_RNA)
where:
Base-Base interactions energy: -413.191
where: short stacking energy: -195.462
Base-Backbone interact. energy: 0.707
local terms energy: -276.856314
where:
bonds (distance) C4'-P energy: -54.494
bonds (distance) P-C4' energy: -64.369
flat angles C4'-P-C4' energy: -67.708
flat angles P-C4'-P energy: -37.388
tors. eta vs tors. theta energy: -52.897
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: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -505.823527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.823527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.823527 (E_RNA)
where:
Base-Base interactions energy: -282.256
where: short stacking energy: -139.834
Base-Backbone interact. energy: -2.058
local terms energy: -221.509581
where:
bonds (distance) C4'-P energy: -57.495
bonds (distance) P-C4' energy: -53.775
flat angles C4'-P-C4' energy: -51.605
flat angles P-C4'-P energy: -34.738
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -278.634066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.634066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.634066 (E_RNA)
where:
Base-Base interactions energy: -89.229
where: short stacking energy: -72.569
Base-Backbone interact. energy: -2.232
local terms energy: -187.172997
where:
bonds (distance) C4'-P energy: -50.679
bonds (distance) P-C4' energy: -61.476
flat angles C4'-P-C4' energy: -55.266
flat angles P-C4'-P energy: -32.907
tors. eta vs tors. theta energy: 13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -258.827837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.827837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.827837 (E_RNA)
where:
Base-Base interactions energy: -80.700
where: short stacking energy: -72.487
Base-Backbone interact. energy: 1.259
local terms energy: -179.531741
where:
bonds (distance) C4'-P energy: -57.231
bonds (distance) P-C4' energy: -57.558
flat angles C4'-P-C4' energy: -39.048
flat angles P-C4'-P energy: -34.541
tors. eta vs tors. theta energy: 8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.145 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1172.660765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.660765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.660765 (E_RNA)
where:
Base-Base interactions energy: -791.902
where: short stacking energy: -321.527
Base-Backbone interact. energy: -0.249
local terms energy: -380.508955
where:
bonds (distance) C4'-P energy: -66.600
bonds (distance) P-C4' energy: -73.637
flat angles C4'-P-C4' energy: -78.448
flat angles P-C4'-P energy: -55.688
tors. eta vs tors. theta energy: -106.136
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: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1122.586136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.586136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.586136 (E_RNA)
where:
Base-Base interactions energy: -763.387
where: short stacking energy: -318.436
Base-Backbone interact. energy: -2.154
local terms energy: -357.045320
where:
bonds (distance) C4'-P energy: -66.235
bonds (distance) P-C4' energy: -72.472
flat angles C4'-P-C4' energy: -69.225
flat angles P-C4'-P energy: -51.727
tors. eta vs tors. theta energy: -97.387
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: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -984.832822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.832822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.832822 (E_RNA)
where:
Base-Base interactions energy: -682.108
where: short stacking energy: -277.866
Base-Backbone interact. energy: 1.809
local terms energy: -304.533361
where:
bonds (distance) C4'-P energy: -70.537
bonds (distance) P-C4' energy: -49.106
flat angles C4'-P-C4' energy: -69.743
flat angles P-C4'-P energy: -40.389
tors. eta vs tors. theta energy: -74.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -908.646811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.646811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.646811 (E_RNA)
where:
Base-Base interactions energy: -578.233
where: short stacking energy: -223.776
Base-Backbone interact. energy: -3.121
local terms energy: -327.292593
where:
bonds (distance) C4'-P energy: -68.832
bonds (distance) P-C4' energy: -65.018
flat angles C4'-P-C4' energy: -73.628
flat angles P-C4'-P energy: -45.821
tors. eta vs tors. theta energy: -73.993
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: 8
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -855.779148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.779148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.779148 (E_RNA)
where:
Base-Base interactions energy: -559.776
where: short stacking energy: -230.621
Base-Backbone interact. energy: 2.375
local terms energy: -298.378183
where:
bonds (distance) C4'-P energy: -65.070
bonds (distance) P-C4' energy: -64.580
flat angles C4'-P-C4' energy: -63.509
flat angles P-C4'-P energy: -37.065
tors. eta vs tors. theta energy: -68.153
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: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -718.525680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.525680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.525680 (E_RNA)
where:
Base-Base interactions energy: -445.266
where: short stacking energy: -209.525
Base-Backbone interact. energy: -0.831
local terms energy: -272.428440
where:
bonds (distance) C4'-P energy: -55.154
bonds (distance) P-C4' energy: -60.662
flat angles C4'-P-C4' energy: -62.139
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -55.839
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: 345
Temperature: 1.200000
Total energy: -661.592836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.592836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.592836 (E_RNA)
where:
Base-Base interactions energy: -403.270
where: short stacking energy: -181.097
Base-Backbone interact. energy: -1.391
local terms energy: -256.931839
where:
bonds (distance) C4'-P energy: -50.815
bonds (distance) P-C4' energy: -66.162
flat angles C4'-P-C4' energy: -67.799
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -46.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -495.478590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.478590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.478590 (E_RNA)
where:
Base-Base interactions energy: -289.901
where: short stacking energy: -143.754
Base-Backbone interact. energy: 0.082
local terms energy: -205.659244
where:
bonds (distance) C4'-P energy: -46.919
bonds (distance) P-C4' energy: -56.084
flat angles C4'-P-C4' energy: -44.567
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -18.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -296.331563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.331563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.331563 (E_RNA)
where:
Base-Base interactions energy: -95.776
where: short stacking energy: -94.604
Base-Backbone interact. energy: -1.129
local terms energy: -199.425822
where:
bonds (distance) C4'-P energy: -51.131
bonds (distance) P-C4' energy: -64.781
flat angles C4'-P-C4' energy: -43.082
flat angles P-C4'-P energy: -29.629
tors. eta vs tors. theta energy: -10.803
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: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -282.913856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.913856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.913856 (E_RNA)
where:
Base-Base interactions energy: -92.739
where: short stacking energy: -64.069
Base-Backbone interact. energy: -1.455
local terms energy: -188.719846
where:
bonds (distance) C4'-P energy: -51.152
bonds (distance) P-C4' energy: -60.159
flat angles C4'-P-C4' energy: -52.523
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: 6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1151.901208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.901208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.901208 (E_RNA)
where:
Base-Base interactions energy: -786.178
where: short stacking energy: -317.433
Base-Backbone interact. energy: 1.995
local terms energy: -367.717929
where:
bonds (distance) C4'-P energy: -62.173
bonds (distance) P-C4' energy: -70.229
flat angles C4'-P-C4' energy: -83.035
flat angles P-C4'-P energy: -50.804
tors. eta vs tors. theta energy: -101.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1071.308120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.308120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.308120 (E_RNA)
where:
Base-Base interactions energy: -720.599
where: short stacking energy: -294.272
Base-Backbone interact. energy: -1.499
local terms energy: -349.210092
where:
bonds (distance) C4'-P energy: -57.982
bonds (distance) P-C4' energy: -74.939
flat angles C4'-P-C4' energy: -70.653
flat angles P-C4'-P energy: -52.863
tors. eta vs tors. theta energy: -92.774
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: 346
Temperature: 1.000000
Total energy: -1016.061924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.061924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.061924 (E_RNA)
where:
Base-Base interactions energy: -698.798
where: short stacking energy: -278.954
Base-Backbone interact. energy: -1.453
local terms energy: -315.810114
where:
bonds (distance) C4'-P energy: -57.930
bonds (distance) P-C4' energy: -67.939
flat angles C4'-P-C4' energy: -70.454
flat angles P-C4'-P energy: -41.820
tors. eta vs tors. theta energy: -77.668
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: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -914.968734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.968734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.968734 (E_RNA)
where:
Base-Base interactions energy: -606.464
where: short stacking energy: -274.388
Base-Backbone interact. energy: 0.214
local terms energy: -308.718621
where:
bonds (distance) C4'-P energy: -58.771
bonds (distance) P-C4' energy: -60.219
flat angles C4'-P-C4' energy: -68.566
flat angles P-C4'-P energy: -39.107
tors. eta vs tors. theta energy: -82.055
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: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -872.940745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.940745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.940745 (E_RNA)
where:
Base-Base interactions energy: -572.781
where: short stacking energy: -235.075
Base-Backbone interact. energy: -0.417
local terms energy: -299.802095
where:
bonds (distance) C4'-P energy: -63.038
bonds (distance) P-C4' energy: -53.933
flat angles C4'-P-C4' energy: -70.520
flat angles P-C4'-P energy: -45.991
tors. eta vs tors. theta energy: -66.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.060 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -710.964859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.964859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.964859 (E_RNA)
where:
Base-Base interactions energy: -434.301
where: short stacking energy: -191.184
Base-Backbone interact. energy: 0.057
local terms energy: -276.719925
where:
bonds (distance) C4'-P energy: -66.001
bonds (distance) P-C4' energy: -62.495
flat angles C4'-P-C4' energy: -60.708
flat angles P-C4'-P energy: -42.536
tors. eta vs tors. theta energy: -44.980
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: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -629.709147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.709147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.709147 (E_RNA)
where:
Base-Base interactions energy: -377.420
where: short stacking energy: -168.933
Base-Backbone interact. energy: -1.649
local terms energy: -250.640463
where:
bonds (distance) C4'-P energy: -60.498
bonds (distance) P-C4' energy: -66.380
flat angles C4'-P-C4' energy: -61.895
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -26.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -478.764185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.764185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.764185 (E_RNA)
where:
Base-Base interactions energy: -258.452
where: short stacking energy: -118.258
Base-Backbone interact. energy: -1.354
local terms energy: -218.957635
where:
bonds (distance) C4'-P energy: -47.090
bonds (distance) P-C4' energy: -61.118
flat angles C4'-P-C4' energy: -64.812
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -305.479196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.479196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.479196 (E_RNA)
where:
Base-Base interactions energy: -108.621
where: short stacking energy: -78.841
Base-Backbone interact. energy: -1.943
local terms energy: -194.914904
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -65.413
flat angles C4'-P-C4' energy: -50.189
flat angles P-C4'-P energy: -38.406
tors. eta vs tors. theta energy: 11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -284.395402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.395402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.395402 (E_RNA)
where:
Base-Base interactions energy: -85.889
where: short stacking energy: -74.858
Base-Backbone interact. energy: -0.132
local terms energy: -198.374138
where:
bonds (distance) C4'-P energy: -59.228
bonds (distance) P-C4' energy: -56.751
flat angles C4'-P-C4' energy: -54.072
flat angles P-C4'-P energy: -30.655
tors. eta vs tors. theta energy: 2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1153.024895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.024895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.024895 (E_RNA)
where:
Base-Base interactions energy: -773.087
where: short stacking energy: -313.116
Base-Backbone interact. energy: -2.981
local terms energy: -376.957202
where:
bonds (distance) C4'-P energy: -66.885
bonds (distance) P-C4' energy: -68.717
flat angles C4'-P-C4' energy: -76.510
flat angles P-C4'-P energy: -53.122
tors. eta vs tors. theta energy: -111.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1052.805562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.805562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.805562 (E_RNA)
where:
Base-Base interactions energy: -702.793
where: short stacking energy: -301.610
Base-Backbone interact. energy: -2.213
local terms energy: -347.799561
where:
bonds (distance) C4'-P energy: -67.034
bonds (distance) P-C4' energy: -56.165
flat angles C4'-P-C4' energy: -76.825
flat angles P-C4'-P energy: -53.882
tors. eta vs tors. theta energy: -93.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1074.849494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.849494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.849494 (E_RNA)
where:
Base-Base interactions energy: -748.165
where: short stacking energy: -304.345
Base-Backbone interact. energy: -2.487
local terms energy: -324.197423
where:
bonds (distance) C4'-P energy: -53.968
bonds (distance) P-C4' energy: -49.269
flat angles C4'-P-C4' energy: -72.150
flat angles P-C4'-P energy: -51.395
tors. eta vs tors. theta energy: -97.416
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: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -911.874358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.874358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.874358 (E_RNA)
where:
Base-Base interactions energy: -610.508
where: short stacking energy: -259.011
Base-Backbone interact. energy: -1.728
local terms energy: -299.638867
where:
bonds (distance) C4'-P energy: -56.739
bonds (distance) P-C4' energy: -53.847
flat angles C4'-P-C4' energy: -64.366
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -80.272
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: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -903.266496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.266496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.266496 (E_RNA)
where:
Base-Base interactions energy: -603.067
where: short stacking energy: -241.787
Base-Backbone interact. energy: 0.618
local terms energy: -300.818075
where:
bonds (distance) C4'-P energy: -68.208
bonds (distance) P-C4' energy: -61.633
flat angles C4'-P-C4' energy: -61.579
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -69.064
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: 347
Temperature: 1.150000
Total energy: -752.214529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.214529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.214529 (E_RNA)
where:
Base-Base interactions energy: -470.476
where: short stacking energy: -220.280
Base-Backbone interact. energy: 1.482
local terms energy: -283.220305
where:
bonds (distance) C4'-P energy: -58.850
bonds (distance) P-C4' energy: -48.935
flat angles C4'-P-C4' energy: -66.723
flat angles P-C4'-P energy: -45.887
tors. eta vs tors. theta energy: -62.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -691.016317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.016317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.016317 (E_RNA)
where:
Base-Base interactions energy: -443.506
where: short stacking energy: -201.795
Base-Backbone interact. energy: -0.479
local terms energy: -247.031178
where:
bonds (distance) C4'-P energy: -49.194
bonds (distance) P-C4' energy: -71.109
flat angles C4'-P-C4' energy: -42.947
flat angles P-C4'-P energy: -41.265
tors. eta vs tors. theta energy: -42.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -478.509346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.509346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.509346 (E_RNA)
where:
Base-Base interactions energy: -284.826
where: short stacking energy: -142.587
Base-Backbone interact. energy: -0.903
local terms energy: -192.780568
where:
bonds (distance) C4'-P energy: -53.052
bonds (distance) P-C4' energy: -51.339
flat angles C4'-P-C4' energy: -48.451
flat angles P-C4'-P energy: -27.762
tors. eta vs tors. theta energy: -12.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -288.791912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.791912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.791912 (E_RNA)
where:
Base-Base interactions energy: -100.937
where: short stacking energy: -87.042
Base-Backbone interact. energy: -2.771
local terms energy: -185.083985
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -45.370
flat angles C4'-P-C4' energy: -49.591
flat angles P-C4'-P energy: -31.807
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: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -252.041735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.041735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.041735 (E_RNA)
where:
Base-Base interactions energy: -89.633
where: short stacking energy: -75.212
Base-Backbone interact. energy: -1.812
local terms energy: -160.596868
where:
bonds (distance) C4'-P energy: -50.042
bonds (distance) P-C4' energy: -49.106
flat angles C4'-P-C4' energy: -47.859
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: 14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1156.304805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.304805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.304805 (E_RNA)
where:
Base-Base interactions energy: -788.749
where: short stacking energy: -340.808
Base-Backbone interact. energy: -1.022
local terms energy: -366.533984
where:
bonds (distance) C4'-P energy: -72.513
bonds (distance) P-C4' energy: -65.609
flat angles C4'-P-C4' energy: -72.859
flat angles P-C4'-P energy: -48.549
tors. eta vs tors. theta energy: -107.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1048.214522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.214522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.214522 (E_RNA)
where:
Base-Base interactions energy: -709.139
where: short stacking energy: -296.136
Base-Backbone interact. energy: -2.176
local terms energy: -336.899372
where:
bonds (distance) C4'-P energy: -61.349
bonds (distance) P-C4' energy: -73.218
flat angles C4'-P-C4' energy: -70.046
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -91.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1068.470937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.470937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.470937 (E_RNA)
where:
Base-Base interactions energy: -720.377
where: short stacking energy: -279.314
Base-Backbone interact. energy: -0.717
local terms energy: -347.376706
where:
bonds (distance) C4'-P energy: -69.454
bonds (distance) P-C4' energy: -61.148
flat angles C4'-P-C4' energy: -75.473
flat angles P-C4'-P energy: -42.924
tors. eta vs tors. theta energy: -98.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -904.567202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.567202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.567202 (E_RNA)
where:
Base-Base interactions energy: -584.013
where: short stacking energy: -270.838
Base-Backbone interact. energy: -2.490
local terms energy: -318.064279
where:
bonds (distance) C4'-P energy: -57.864
bonds (distance) P-C4' energy: -67.047
flat angles C4'-P-C4' energy: -65.540
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: -84.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -926.810298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.810298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.810298 (E_RNA)
where:
Base-Base interactions energy: -609.553
where: short stacking energy: -264.619
Base-Backbone interact. energy: -2.209
local terms energy: -315.048169
where:
bonds (distance) C4'-P energy: -59.186
bonds (distance) P-C4' energy: -60.576
flat angles C4'-P-C4' energy: -70.610
flat angles P-C4'-P energy: -51.354
tors. eta vs tors. theta energy: -73.322
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: 348
Temperature: 1.150000
Total energy: -760.463552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.463552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.463552 (E_RNA)
where:
Base-Base interactions energy: -485.411
where: short stacking energy: -207.824
Base-Backbone interact. energy: -1.209
local terms energy: -273.843881
where:
bonds (distance) C4'-P energy: -44.057
bonds (distance) P-C4' energy: -75.955
flat angles C4'-P-C4' energy: -64.114
flat angles P-C4'-P energy: -29.545
tors. eta vs tors. theta energy: -60.173
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: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -671.177666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.177666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.177666 (E_RNA)
where:
Base-Base interactions energy: -426.148
where: short stacking energy: -199.267
Base-Backbone interact. energy: -1.294
local terms energy: -243.735716
where:
bonds (distance) C4'-P energy: -63.111
bonds (distance) P-C4' energy: -50.942
flat angles C4'-P-C4' energy: -57.226
flat angles P-C4'-P energy: -25.604
tors. eta vs tors. theta energy: -46.853
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: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -392.518307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.518307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.518307 (E_RNA)
where:
Base-Base interactions energy: -195.353
where: short stacking energy: -114.860
Base-Backbone interact. energy: -1.020
local terms energy: -196.145313
where:
bonds (distance) C4'-P energy: -60.057
bonds (distance) P-C4' energy: -64.699
flat angles C4'-P-C4' energy: -46.340
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -289.946283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.946283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.946283 (E_RNA)
where:
Base-Base interactions energy: -92.453
where: short stacking energy: -82.364
Base-Backbone interact. energy: 1.208
local terms energy: -198.702067
where:
bonds (distance) C4'-P energy: -49.505
bonds (distance) P-C4' energy: -60.127
flat angles C4'-P-C4' energy: -47.917
flat angles P-C4'-P energy: -40.541
tors. eta vs tors. theta energy: -0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -270.316131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.316131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.316131 (E_RNA)
where:
Base-Base interactions energy: -103.306
where: short stacking energy: -76.979
Base-Backbone interact. energy: -1.438
local terms energy: -165.572241
where:
bonds (distance) C4'-P energy: -46.664
bonds (distance) P-C4' energy: -63.747
flat angles C4'-P-C4' energy: -45.158
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: 11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1160.473966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.473966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.473966 (E_RNA)
where:
Base-Base interactions energy: -791.461
where: short stacking energy: -340.895
Base-Backbone interact. energy: 0.646
local terms energy: -369.659387
where:
bonds (distance) C4'-P energy: -62.574
bonds (distance) P-C4' energy: -68.356
flat angles C4'-P-C4' energy: -69.517
flat angles P-C4'-P energy: -56.076
tors. eta vs tors. theta energy: -113.136
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: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1108.875463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.875463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.875463 (E_RNA)
where:
Base-Base interactions energy: -755.292
where: short stacking energy: -317.344
Base-Backbone interact. energy: -1.530
local terms energy: -352.053494
where:
bonds (distance) C4'-P energy: -57.372
bonds (distance) P-C4' energy: -67.470
flat angles C4'-P-C4' energy: -73.769
flat angles P-C4'-P energy: -53.591
tors. eta vs tors. theta energy: -99.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1007.996838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.996838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.996838 (E_RNA)
where:
Base-Base interactions energy: -663.956
where: short stacking energy: -268.648
Base-Backbone interact. energy: -2.193
local terms energy: -341.847357
where:
bonds (distance) C4'-P energy: -65.864
bonds (distance) P-C4' energy: -77.902
flat angles C4'-P-C4' energy: -75.654
flat angles P-C4'-P energy: -38.803
tors. eta vs tors. theta energy: -83.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -898.262389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.262389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.262389 (E_RNA)
where:
Base-Base interactions energy: -602.201
where: short stacking energy: -249.514
Base-Backbone interact. energy: -1.442
local terms energy: -294.619616
where:
bonds (distance) C4'-P energy: -59.722
bonds (distance) P-C4' energy: -67.629
flat angles C4'-P-C4' energy: -59.883
flat angles P-C4'-P energy: -47.060
tors. eta vs tors. theta energy: -60.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -883.698941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.698941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.698941 (E_RNA)
where:
Base-Base interactions energy: -583.779
where: short stacking energy: -239.030
Base-Backbone interact. energy: 1.367
local terms energy: -301.287229
where:
bonds (distance) C4'-P energy: -63.145
bonds (distance) P-C4' energy: -63.806
flat angles C4'-P-C4' energy: -66.574
flat angles P-C4'-P energy: -35.575
tors. eta vs tors. theta energy: -72.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -728.442677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.442677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.442677 (E_RNA)
where:
Base-Base interactions energy: -445.222
where: short stacking energy: -202.074
Base-Backbone interact. energy: -1.229
local terms energy: -282.701324
where:
bonds (distance) C4'-P energy: -65.267
bonds (distance) P-C4' energy: -71.152
flat angles C4'-P-C4' energy: -55.619
flat angles P-C4'-P energy: -45.358
tors. eta vs tors. theta energy: -45.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.709 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -662.727936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.727936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.727936 (E_RNA)
where:
Base-Base interactions energy: -417.386
where: short stacking energy: -192.238
Base-Backbone interact. energy: -0.498
local terms energy: -244.843540
where:
bonds (distance) C4'-P energy: -54.639
bonds (distance) P-C4' energy: -59.606
flat angles C4'-P-C4' energy: -67.159
flat angles P-C4'-P energy: -27.493
tors. eta vs tors. theta energy: -35.947
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: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -422.410549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.410549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.410549 (E_RNA)
where:
Base-Base interactions energy: -200.524
where: short stacking energy: -115.688
Base-Backbone interact. energy: -0.320
local terms energy: -221.566624
where:
bonds (distance) C4'-P energy: -56.147
bonds (distance) P-C4' energy: -70.061
flat angles C4'-P-C4' energy: -47.199
flat angles P-C4'-P energy: -29.707
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -293.024274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.024274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.024274 (E_RNA)
where:
Base-Base interactions energy: -89.697
where: short stacking energy: -86.219
Base-Backbone interact. energy: -1.285
local terms energy: -202.041950
where:
bonds (distance) C4'-P energy: -55.759
bonds (distance) P-C4' energy: -59.363
flat angles C4'-P-C4' energy: -51.784
flat angles P-C4'-P energy: -39.532
tors. eta vs tors. theta energy: 4.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -256.532242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.532242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.532242 (E_RNA)
where:
Base-Base interactions energy: -100.196
where: short stacking energy: -65.927
Base-Backbone interact. energy: -0.319
local terms energy: -156.017472
where:
bonds (distance) C4'-P energy: -49.367
bonds (distance) P-C4' energy: -57.824
flat angles C4'-P-C4' energy: -34.096
flat angles P-C4'-P energy: -30.411
tors. eta vs tors. theta energy: 15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1131.770453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.770453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.770453 (E_RNA)
where:
Base-Base interactions energy: -774.655
where: short stacking energy: -327.073
Base-Backbone interact. energy: 0.047
local terms energy: -357.161731
where:
bonds (distance) C4'-P energy: -58.406
bonds (distance) P-C4' energy: -68.156
flat angles C4'-P-C4' energy: -81.375
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -98.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1120.528069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.528069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.528069 (E_RNA)
where:
Base-Base interactions energy: -773.730
where: short stacking energy: -310.981
Base-Backbone interact. energy: -0.630
local terms energy: -346.168386
where:
bonds (distance) C4'-P energy: -57.406
bonds (distance) P-C4' energy: -68.157
flat angles C4'-P-C4' energy: -76.808
flat angles P-C4'-P energy: -40.806
tors. eta vs tors. theta energy: -102.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1026.998195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.998195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.998195 (E_RNA)
where:
Base-Base interactions energy: -684.445
where: short stacking energy: -298.366
Base-Backbone interact. energy: 0.985
local terms energy: -343.538223
where:
bonds (distance) C4'-P energy: -67.061
bonds (distance) P-C4' energy: -59.592
flat angles C4'-P-C4' energy: -76.769
flat angles P-C4'-P energy: -54.356
tors. eta vs tors. theta energy: -85.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -932.316413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.316413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.316413 (E_RNA)
where:
Base-Base interactions energy: -633.375
where: short stacking energy: -273.084
Base-Backbone interact. energy: -0.733
local terms energy: -298.207904
where:
bonds (distance) C4'-P energy: -57.599
bonds (distance) P-C4' energy: -55.091
flat angles C4'-P-C4' energy: -67.511
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -78.514
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: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -894.645568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.645568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.645568 (E_RNA)
where:
Base-Base interactions energy: -597.126
where: short stacking energy: -252.480
Base-Backbone interact. energy: 3.484
local terms energy: -301.003500
where:
bonds (distance) C4'-P energy: -65.044
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -62.312
flat angles P-C4'-P energy: -49.014
tors. eta vs tors. theta energy: -70.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -724.478877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.478877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.478877 (E_RNA)
where:
Base-Base interactions energy: -455.960
where: short stacking energy: -212.618
Base-Backbone interact. energy: -1.158
local terms energy: -267.361324
where:
bonds (distance) C4'-P energy: -58.390
bonds (distance) P-C4' energy: -59.512
flat angles C4'-P-C4' energy: -58.364
flat angles P-C4'-P energy: -42.396
tors. eta vs tors. theta energy: -48.701
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: 350
Temperature: 1.200000
Total energy: -694.914999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.914999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.914999 (E_RNA)
where:
Base-Base interactions energy: -437.580
where: short stacking energy: -188.961
Base-Backbone interact. energy: -0.493
local terms energy: -256.842195
where:
bonds (distance) C4'-P energy: -66.606
bonds (distance) P-C4' energy: -61.688
flat angles C4'-P-C4' energy: -46.766
flat angles P-C4'-P energy: -38.621
tors. eta vs tors. theta energy: -43.161
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: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -449.302875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.302875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.302875 (E_RNA)
where:
Base-Base interactions energy: -236.090
where: short stacking energy: -120.912
Base-Backbone interact. energy: -1.340
local terms energy: -211.872807
where:
bonds (distance) C4'-P energy: -62.248
bonds (distance) P-C4' energy: -62.760
flat angles C4'-P-C4' energy: -53.284
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -275.628864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.628864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.628864 (E_RNA)
where:
Base-Base interactions energy: -92.783
where: short stacking energy: -86.134
Base-Backbone interact. energy: -1.073
local terms energy: -181.772741
where:
bonds (distance) C4'-P energy: -44.560
bonds (distance) P-C4' energy: -61.702
flat angles C4'-P-C4' energy: -46.349
flat angles P-C4'-P energy: -34.367
tors. eta vs tors. theta energy: 5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -290.400487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.400487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.400487 (E_RNA)
where:
Base-Base interactions energy: -110.106
where: short stacking energy: -88.360
Base-Backbone interact. energy: 3.182
local terms energy: -183.475976
where:
bonds (distance) C4'-P energy: -66.207
bonds (distance) P-C4' energy: -52.065
flat angles C4'-P-C4' energy: -40.487
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: 4.305
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: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1141.827101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.827101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.827101 (E_RNA)
where:
Base-Base interactions energy: -768.432
where: short stacking energy: -329.315
Base-Backbone interact. energy: 0.540
local terms energy: -373.935167
where:
bonds (distance) C4'-P energy: -67.786
bonds (distance) P-C4' energy: -75.856
flat angles C4'-P-C4' energy: -77.582
flat angles P-C4'-P energy: -50.091
tors. eta vs tors. theta energy: -102.619
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: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1107.500261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.500261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.500261 (E_RNA)
where:
Base-Base interactions energy: -757.696
where: short stacking energy: -282.661
Base-Backbone interact. energy: 0.348
local terms energy: -350.151882
where:
bonds (distance) C4'-P energy: -59.573
bonds (distance) P-C4' energy: -70.698
flat angles C4'-P-C4' energy: -77.686
flat angles P-C4'-P energy: -53.643
tors. eta vs tors. theta energy: -88.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1020.198298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.198298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.198298 (E_RNA)
where:
Base-Base interactions energy: -680.508
where: short stacking energy: -268.205
Base-Backbone interact. energy: -2.035
local terms energy: -337.655509
where:
bonds (distance) C4'-P energy: -66.944
bonds (distance) P-C4' energy: -59.775
flat angles C4'-P-C4' energy: -78.335
flat angles P-C4'-P energy: -43.261
tors. eta vs tors. theta energy: -89.340
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: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -910.674443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.674443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.674443 (E_RNA)
where:
Base-Base interactions energy: -601.757
where: short stacking energy: -246.208
Base-Backbone interact. energy: 0.719
local terms energy: -309.636625
where:
bonds (distance) C4'-P energy: -53.707
bonds (distance) P-C4' energy: -66.454
flat angles C4'-P-C4' energy: -72.976
flat angles P-C4'-P energy: -48.700
tors. eta vs tors. theta energy: -67.799
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: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -912.875031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.875031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.875031 (E_RNA)
where:
Base-Base interactions energy: -597.922
where: short stacking energy: -265.350
Base-Backbone interact. energy: 0.410
local terms energy: -315.362756
where:
bonds (distance) C4'-P energy: -63.332
bonds (distance) P-C4' energy: -60.355
flat angles C4'-P-C4' energy: -72.242
flat angles P-C4'-P energy: -43.678
tors. eta vs tors. theta energy: -75.755
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: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -715.739252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.739252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.739252 (E_RNA)
where:
Base-Base interactions energy: -456.252
where: short stacking energy: -192.296
Base-Backbone interact. energy: -3.037
local terms energy: -256.450237
where:
bonds (distance) C4'-P energy: -45.054
bonds (distance) P-C4' energy: -73.415
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -34.401
tors. eta vs tors. theta energy: -47.240
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: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -700.376854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.376854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.376854 (E_RNA)
where:
Base-Base interactions energy: -439.165
where: short stacking energy: -179.802
Base-Backbone interact. energy: -3.240
local terms energy: -257.972349
where:
bonds (distance) C4'-P energy: -65.564
bonds (distance) P-C4' energy: -65.413
flat angles C4'-P-C4' energy: -55.351
flat angles P-C4'-P energy: -30.750
tors. eta vs tors. theta energy: -40.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -426.074602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.074602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.074602 (E_RNA)
where:
Base-Base interactions energy: -237.203
where: short stacking energy: -139.981
Base-Backbone interact. energy: -0.903
local terms energy: -187.969110
where:
bonds (distance) C4'-P energy: -39.912
bonds (distance) P-C4' energy: -52.031
flat angles C4'-P-C4' energy: -56.284
flat angles P-C4'-P energy: -29.750
tors. eta vs tors. theta energy: -9.992
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: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -280.852134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.852134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.852134 (E_RNA)
where:
Base-Base interactions energy: -83.005
where: short stacking energy: -68.877
Base-Backbone interact. energy: 4.878
local terms energy: -202.724635
where:
bonds (distance) C4'-P energy: -60.390
bonds (distance) P-C4' energy: -52.981
flat angles C4'-P-C4' energy: -55.870
flat angles P-C4'-P energy: -41.913
tors. eta vs tors. theta energy: 8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -278.165880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.165880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.165880 (E_RNA)
where:
Base-Base interactions energy: -107.656
where: short stacking energy: -66.552
Base-Backbone interact. energy: -2.055
local terms energy: -168.454404
where:
bonds (distance) C4'-P energy: -50.337
bonds (distance) P-C4' energy: -47.181
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -27.517
tors. eta vs tors. theta energy: 12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1142.531597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.531597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.531597 (E_RNA)
where:
Base-Base interactions energy: -784.906
where: short stacking energy: -310.119
Base-Backbone interact. energy: -0.828
local terms energy: -356.797545
where:
bonds (distance) C4'-P energy: -67.262
bonds (distance) P-C4' energy: -66.691
flat angles C4'-P-C4' energy: -74.011
flat angles P-C4'-P energy: -56.177
tors. eta vs tors. theta energy: -92.655
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: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1119.217128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.217128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.217128 (E_RNA)
where:
Base-Base interactions energy: -775.979
where: short stacking energy: -329.961
Base-Backbone interact. energy: 5.201
local terms energy: -348.439667
where:
bonds (distance) C4'-P energy: -63.708
bonds (distance) P-C4' energy: -60.097
flat angles C4'-P-C4' energy: -71.068
flat angles P-C4'-P energy: -51.881
tors. eta vs tors. theta energy: -101.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1027.776051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.776051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.776051 (E_RNA)
where:
Base-Base interactions energy: -700.855
where: short stacking energy: -295.210
Base-Backbone interact. energy: 0.111
local terms energy: -327.031738
where:
bonds (distance) C4'-P energy: -68.186
bonds (distance) P-C4' energy: -62.037
flat angles C4'-P-C4' energy: -74.190
flat angles P-C4'-P energy: -41.143
tors. eta vs tors. theta energy: -81.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -911.235833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.235833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.235833 (E_RNA)
where:
Base-Base interactions energy: -591.524
where: short stacking energy: -278.306
Base-Backbone interact. energy: 1.683
local terms energy: -321.395596
where:
bonds (distance) C4'-P energy: -56.261
bonds (distance) P-C4' energy: -60.184
flat angles C4'-P-C4' energy: -75.813
flat angles P-C4'-P energy: -51.936
tors. eta vs tors. theta energy: -77.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -897.689064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.689064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.689064 (E_RNA)
where:
Base-Base interactions energy: -609.498
where: short stacking energy: -242.563
Base-Backbone interact. energy: 0.314
local terms energy: -288.505222
where:
bonds (distance) C4'-P energy: -64.005
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -54.799
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: -66.264
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: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -681.895034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.895034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.895034 (E_RNA)
where:
Base-Base interactions energy: -413.452
where: short stacking energy: -188.351
Base-Backbone interact. energy: -2.128
local terms energy: -266.315586
where:
bonds (distance) C4'-P energy: -62.372
bonds (distance) P-C4' energy: -55.299
flat angles C4'-P-C4' energy: -54.012
flat angles P-C4'-P energy: -47.412
tors. eta vs tors. theta energy: -47.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -640.070060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.070060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.070060 (E_RNA)
where:
Base-Base interactions energy: -406.860
where: short stacking energy: -186.889
Base-Backbone interact. energy: 1.855
local terms energy: -235.064805
where:
bonds (distance) C4'-P energy: -59.395
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -47.000
flat angles P-C4'-P energy: -36.688
tors. eta vs tors. theta energy: -39.289
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: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -375.147037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.147037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.147037 (E_RNA)
where:
Base-Base interactions energy: -189.453
where: short stacking energy: -104.756
Base-Backbone interact. energy: -0.119
local terms energy: -185.574916
where:
bonds (distance) C4'-P energy: -52.043
bonds (distance) P-C4' energy: -55.388
flat angles C4'-P-C4' energy: -45.709
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -299.631980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.631980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.631980 (E_RNA)
where:
Base-Base interactions energy: -100.675
where: short stacking energy: -91.626
Base-Backbone interact. energy: -0.180
local terms energy: -198.776909
where:
bonds (distance) C4'-P energy: -50.130
bonds (distance) P-C4' energy: -62.952
flat angles C4'-P-C4' energy: -51.818
flat angles P-C4'-P energy: -44.256
tors. eta vs tors. theta energy: 10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -272.237229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.237229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.237229 (E_RNA)
where:
Base-Base interactions energy: -107.962
where: short stacking energy: -81.518
Base-Backbone interact. energy: -1.254
local terms energy: -163.021531
where:
bonds (distance) C4'-P energy: -59.063
bonds (distance) P-C4' energy: -38.376
flat angles C4'-P-C4' energy: -46.926
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: 2.120
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: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1142.959545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.959545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.959545 (E_RNA)
where:
Base-Base interactions energy: -789.420
where: short stacking energy: -304.822
Base-Backbone interact. energy: -0.985
local terms energy: -352.553835
where:
bonds (distance) C4'-P energy: -60.312
bonds (distance) P-C4' energy: -66.316
flat angles C4'-P-C4' energy: -69.643
flat angles P-C4'-P energy: -58.023
tors. eta vs tors. theta energy: -98.259
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: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1129.872839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.872839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.872839 (E_RNA)
where:
Base-Base interactions energy: -758.210
where: short stacking energy: -334.503
Base-Backbone interact. energy: -1.950
local terms energy: -369.712591
where:
bonds (distance) C4'-P energy: -63.186
bonds (distance) P-C4' energy: -73.633
flat angles C4'-P-C4' energy: -76.968
flat angles P-C4'-P energy: -51.035
tors. eta vs tors. theta energy: -104.891
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: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1054.749457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.749457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.749457 (E_RNA)
where:
Base-Base interactions energy: -716.164
where: short stacking energy: -281.391
Base-Backbone interact. energy: -0.678
local terms energy: -337.908176
where:
bonds (distance) C4'-P energy: -64.125
bonds (distance) P-C4' energy: -73.482
flat angles C4'-P-C4' energy: -66.912
flat angles P-C4'-P energy: -43.806
tors. eta vs tors. theta energy: -89.583
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: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -905.989301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.989301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.989301 (E_RNA)
where:
Base-Base interactions energy: -606.625
where: short stacking energy: -276.443
Base-Backbone interact. energy: 0.157
local terms energy: -299.520890
where:
bonds (distance) C4'-P energy: -49.162
bonds (distance) P-C4' energy: -63.624
flat angles C4'-P-C4' energy: -72.760
flat angles P-C4'-P energy: -37.875
tors. eta vs tors. theta energy: -76.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -890.707969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.707969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.707969 (E_RNA)
where:
Base-Base interactions energy: -603.354
where: short stacking energy: -235.851
Base-Backbone interact. energy: -1.651
local terms energy: -285.703687
where:
bonds (distance) C4'-P energy: -63.324
bonds (distance) P-C4' energy: -58.442
flat angles C4'-P-C4' energy: -68.670
flat angles P-C4'-P energy: -34.797
tors. eta vs tors. theta energy: -60.471
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: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -686.371431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.371431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.371431 (E_RNA)
where:
Base-Base interactions energy: -431.352
where: short stacking energy: -195.480
Base-Backbone interact. energy: 1.391
local terms energy: -256.410310
where:
bonds (distance) C4'-P energy: -45.609
bonds (distance) P-C4' energy: -63.245
flat angles C4'-P-C4' energy: -63.935
flat angles P-C4'-P energy: -41.916
tors. eta vs tors. theta energy: -41.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -609.624182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.624182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.624182 (E_RNA)
where:
Base-Base interactions energy: -354.234
where: short stacking energy: -169.669
Base-Backbone interact. energy: 2.122
local terms energy: -257.511675
where:
bonds (distance) C4'-P energy: -65.304
bonds (distance) P-C4' energy: -56.654
flat angles C4'-P-C4' energy: -64.538
flat angles P-C4'-P energy: -39.233
tors. eta vs tors. theta energy: -31.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -372.997654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.997654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.997654 (E_RNA)
where:
Base-Base interactions energy: -176.217
where: short stacking energy: -101.650
Base-Backbone interact. energy: 0.386
local terms energy: -197.166083
where:
bonds (distance) C4'-P energy: -47.804
bonds (distance) P-C4' energy: -63.753
flat angles C4'-P-C4' energy: -58.435
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -274.522432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.522432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.522432 (E_RNA)
where:
Base-Base interactions energy: -72.514
where: short stacking energy: -57.433
Base-Backbone interact. energy: 4.777
local terms energy: -206.785176
where:
bonds (distance) C4'-P energy: -60.294
bonds (distance) P-C4' energy: -75.581
flat angles C4'-P-C4' energy: -52.996
flat angles P-C4'-P energy: -28.774
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: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -294.385771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.385771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.385771 (E_RNA)
where:
Base-Base interactions energy: -119.474
where: short stacking energy: -61.143
Base-Backbone interact. energy: -0.760
local terms energy: -174.151859
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -58.434
flat angles C4'-P-C4' energy: -47.545
flat angles P-C4'-P energy: -29.379
tors. eta vs tors. theta energy: 2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1138.260817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.260817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.260817 (E_RNA)
where:
Base-Base interactions energy: -783.348
where: short stacking energy: -320.099
Base-Backbone interact. energy: -0.545
local terms energy: -354.367511
where:
bonds (distance) C4'-P energy: -65.133
bonds (distance) P-C4' energy: -61.738
flat angles C4'-P-C4' energy: -76.163
flat angles P-C4'-P energy: -53.233
tors. eta vs tors. theta energy: -98.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1099.238123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.238123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.238123 (E_RNA)
where:
Base-Base interactions energy: -756.818
where: short stacking energy: -299.285
Base-Backbone interact. energy: 0.442
local terms energy: -342.861619
where:
bonds (distance) C4'-P energy: -67.831
bonds (distance) P-C4' energy: -63.254
flat angles C4'-P-C4' energy: -76.245
flat angles P-C4'-P energy: -40.546
tors. eta vs tors. theta energy: -94.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1020.222406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.222406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.222406 (E_RNA)
where:
Base-Base interactions energy: -690.313
where: short stacking energy: -299.769
Base-Backbone interact. energy: -0.176
local terms energy: -329.733071
where:
bonds (distance) C4'-P energy: -58.566
bonds (distance) P-C4' energy: -68.076
flat angles C4'-P-C4' energy: -68.109
flat angles P-C4'-P energy: -50.197
tors. eta vs tors. theta energy: -84.785
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: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -911.955765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.955765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.955765 (E_RNA)
where:
Base-Base interactions energy: -576.601
where: short stacking energy: -243.679
Base-Backbone interact. energy: -0.374
local terms energy: -334.981583
where:
bonds (distance) C4'-P energy: -68.504
bonds (distance) P-C4' energy: -75.524
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -52.653
tors. eta vs tors. theta energy: -75.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -897.845447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.845447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.845447 (E_RNA)
where:
Base-Base interactions energy: -606.349
where: short stacking energy: -244.670
Base-Backbone interact. energy: -0.950
local terms energy: -290.546188
where:
bonds (distance) C4'-P energy: -57.171
bonds (distance) P-C4' energy: -58.068
flat angles C4'-P-C4' energy: -69.790
flat angles P-C4'-P energy: -36.017
tors. eta vs tors. theta energy: -69.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -708.376280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.376280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.376280 (E_RNA)
where:
Base-Base interactions energy: -444.972
where: short stacking energy: -208.796
Base-Backbone interact. energy: 1.023
local terms energy: -264.426680
where:
bonds (distance) C4'-P energy: -61.003
bonds (distance) P-C4' energy: -63.329
flat angles C4'-P-C4' energy: -48.868
flat angles P-C4'-P energy: -46.294
tors. eta vs tors. theta energy: -44.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -606.452230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.452230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.452230 (E_RNA)
where:
Base-Base interactions energy: -357.033
where: short stacking energy: -160.239
Base-Backbone interact. energy: -0.045
local terms energy: -249.374242
where:
bonds (distance) C4'-P energy: -49.164
bonds (distance) P-C4' energy: -66.361
flat angles C4'-P-C4' energy: -65.806
flat angles P-C4'-P energy: -41.074
tors. eta vs tors. theta energy: -26.969
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: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -391.546109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.546109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.546109 (E_RNA)
where:
Base-Base interactions energy: -203.411
where: short stacking energy: -108.611
Base-Backbone interact. energy: -0.069
local terms energy: -188.066402
where:
bonds (distance) C4'-P energy: -43.875
bonds (distance) P-C4' energy: -54.146
flat angles C4'-P-C4' energy: -49.028
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -308.738258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.738258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.738258 (E_RNA)
where:
Base-Base interactions energy: -127.889
where: short stacking energy: -93.640
Base-Backbone interact. energy: 0.067
local terms energy: -180.916167
where:
bonds (distance) C4'-P energy: -49.880
bonds (distance) P-C4' energy: -68.642
flat angles C4'-P-C4' energy: -42.874
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: 2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -260.891839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.891839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.891839 (E_RNA)
where:
Base-Base interactions energy: -78.329
where: short stacking energy: -66.789
Base-Backbone interact. energy: -1.243
local terms energy: -181.319473
where:
bonds (distance) C4'-P energy: -52.856
bonds (distance) P-C4' energy: -60.796
flat angles C4'-P-C4' energy: -36.719
flat angles P-C4'-P energy: -35.710
tors. eta vs tors. theta energy: 4.761
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: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1140.550795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.550795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.550795 (E_RNA)
where:
Base-Base interactions energy: -797.663
where: short stacking energy: -330.258
Base-Backbone interact. energy: 1.243
local terms energy: -344.130312
where:
bonds (distance) C4'-P energy: -64.475
bonds (distance) P-C4' energy: -67.039
flat angles C4'-P-C4' energy: -69.443
flat angles P-C4'-P energy: -43.131
tors. eta vs tors. theta energy: -100.042
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: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1126.597927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.597927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.597927 (E_RNA)
where:
Base-Base interactions energy: -781.913
where: short stacking energy: -313.073
Base-Backbone interact. energy: -0.804
local terms energy: -343.881570
where:
bonds (distance) C4'-P energy: -59.225
bonds (distance) P-C4' energy: -61.444
flat angles C4'-P-C4' energy: -61.908
flat angles P-C4'-P energy: -48.989
tors. eta vs tors. theta energy: -112.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1051.007739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.007739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.007739 (E_RNA)
where:
Base-Base interactions energy: -700.224
where: short stacking energy: -304.637
Base-Backbone interact. energy: 0.469
local terms energy: -351.253319
where:
bonds (distance) C4'-P energy: -65.940
bonds (distance) P-C4' energy: -72.489
flat angles C4'-P-C4' energy: -72.708
flat angles P-C4'-P energy: -47.770
tors. eta vs tors. theta energy: -92.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -914.071642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.071642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.071642 (E_RNA)
where:
Base-Base interactions energy: -609.195
where: short stacking energy: -258.416
Base-Backbone interact. energy: 4.890
local terms energy: -309.766355
where:
bonds (distance) C4'-P energy: -64.551
bonds (distance) P-C4' energy: -62.955
flat angles C4'-P-C4' energy: -75.348
flat angles P-C4'-P energy: -36.357
tors. eta vs tors. theta energy: -70.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -877.616613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.616613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.616613 (E_RNA)
where:
Base-Base interactions energy: -557.251
where: short stacking energy: -238.543
Base-Backbone interact. energy: -1.184
local terms energy: -319.181725
where:
bonds (distance) C4'-P energy: -68.270
bonds (distance) P-C4' energy: -63.645
flat angles C4'-P-C4' energy: -71.869
flat angles P-C4'-P energy: -43.794
tors. eta vs tors. theta energy: -71.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -687.664372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.664372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.664372 (E_RNA)
where:
Base-Base interactions energy: -429.884
where: short stacking energy: -194.648
Base-Backbone interact. energy: -1.281
local terms energy: -256.499276
where:
bonds (distance) C4'-P energy: -53.161
bonds (distance) P-C4' energy: -49.961
flat angles C4'-P-C4' energy: -68.140
flat angles P-C4'-P energy: -46.959
tors. eta vs tors. theta energy: -38.278
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: 355
Temperature: 1.200000
Total energy: -584.337549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.337549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.337549 (E_RNA)
where:
Base-Base interactions energy: -344.554
where: short stacking energy: -169.349
Base-Backbone interact. energy: 2.070
local terms energy: -241.853417
where:
bonds (distance) C4'-P energy: -67.005
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -59.647
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -26.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -410.925001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.925001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.925001 (E_RNA)
where:
Base-Base interactions energy: -207.896
where: short stacking energy: -122.788
Base-Backbone interact. energy: -0.300
local terms energy: -202.729606
where:
bonds (distance) C4'-P energy: -53.369
bonds (distance) P-C4' energy: -50.120
flat angles C4'-P-C4' energy: -57.448
flat angles P-C4'-P energy: -28.315
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -285.298982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.298982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.298982 (E_RNA)
where:
Base-Base interactions energy: -102.736
where: short stacking energy: -89.455
Base-Backbone interact. energy: -2.457
local terms energy: -180.105856
where:
bonds (distance) C4'-P energy: -61.562
bonds (distance) P-C4' energy: -54.745
flat angles C4'-P-C4' energy: -45.177
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: 0.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -273.624816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.624816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.624816 (E_RNA)
where:
Base-Base interactions energy: -96.448
where: short stacking energy: -87.641
Base-Backbone interact. energy: -1.055
local terms energy: -176.121176
where:
bonds (distance) C4'-P energy: -45.176
bonds (distance) P-C4' energy: -63.389
flat angles C4'-P-C4' energy: -42.412
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: 0.197
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: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1166.964278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.964278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.964278 (E_RNA)
where:
Base-Base interactions energy: -806.156
where: short stacking energy: -313.188
Base-Backbone interact. energy: -1.072
local terms energy: -359.736405
where:
bonds (distance) C4'-P energy: -62.649
bonds (distance) P-C4' energy: -74.913
flat angles C4'-P-C4' energy: -70.542
flat angles P-C4'-P energy: -48.697
tors. eta vs tors. theta energy: -102.936
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: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1106.385220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.385220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.385220 (E_RNA)
where:
Base-Base interactions energy: -745.467
where: short stacking energy: -316.957
Base-Backbone interact. energy: -0.797
local terms energy: -360.121875
where:
bonds (distance) C4'-P energy: -68.863
bonds (distance) P-C4' energy: -62.564
flat angles C4'-P-C4' energy: -72.097
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -104.059
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: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1058.668622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.668622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.668622 (E_RNA)
where:
Base-Base interactions energy: -703.033
where: short stacking energy: -291.945
Base-Backbone interact. energy: -0.550
local terms energy: -355.085701
where:
bonds (distance) C4'-P energy: -66.876
bonds (distance) P-C4' energy: -64.701
flat angles C4'-P-C4' energy: -82.547
flat angles P-C4'-P energy: -49.835
tors. eta vs tors. theta energy: -91.127
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: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -900.007604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.007604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.007604 (E_RNA)
where:
Base-Base interactions energy: -600.702
where: short stacking energy: -258.279
Base-Backbone interact. energy: -2.609
local terms energy: -296.696861
where:
bonds (distance) C4'-P energy: -59.030
bonds (distance) P-C4' energy: -59.905
flat angles C4'-P-C4' energy: -70.251
flat angles P-C4'-P energy: -44.988
tors. eta vs tors. theta energy: -62.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -919.296637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.296637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.296637 (E_RNA)
where:
Base-Base interactions energy: -591.848
where: short stacking energy: -236.277
Base-Backbone interact. energy: 1.107
local terms energy: -328.555630
where:
bonds (distance) C4'-P energy: -68.953
bonds (distance) P-C4' energy: -63.097
flat angles C4'-P-C4' energy: -67.281
flat angles P-C4'-P energy: -55.457
tors. eta vs tors. theta energy: -73.767
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: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -652.249565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.249565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.249565 (E_RNA)
where:
Base-Base interactions energy: -422.634
where: short stacking energy: -204.797
Base-Backbone interact. energy: -0.805
local terms energy: -228.810517
where:
bonds (distance) C4'-P energy: -47.417
bonds (distance) P-C4' energy: -52.489
flat angles C4'-P-C4' energy: -54.562
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -34.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -558.742574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.742574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.742574 (E_RNA)
where:
Base-Base interactions energy: -332.071
where: short stacking energy: -164.226
Base-Backbone interact. energy: -0.838
local terms energy: -225.833046
where:
bonds (distance) C4'-P energy: -56.749
bonds (distance) P-C4' energy: -56.876
flat angles C4'-P-C4' energy: -57.956
flat angles P-C4'-P energy: -28.317
tors. eta vs tors. theta energy: -25.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -389.410874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.410874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.410874 (E_RNA)
where:
Base-Base interactions energy: -191.151
where: short stacking energy: -110.946
Base-Backbone interact. energy: -1.133
local terms energy: -197.126851
where:
bonds (distance) C4'-P energy: -48.650
bonds (distance) P-C4' energy: -54.914
flat angles C4'-P-C4' energy: -54.923
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -2.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -272.176979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.176979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.176979 (E_RNA)
where:
Base-Base interactions energy: -79.001
where: short stacking energy: -56.661
Base-Backbone interact. energy: 0.537
local terms energy: -193.713136
where:
bonds (distance) C4'-P energy: -67.340
bonds (distance) P-C4' energy: -57.695
flat angles C4'-P-C4' energy: -44.002
flat angles P-C4'-P energy: -37.290
tors. eta vs tors. theta energy: 12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -278.743825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.743825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.743825 (E_RNA)
where:
Base-Base interactions energy: -108.376
where: short stacking energy: -74.565
Base-Backbone interact. energy: 0.054
local terms energy: -170.422255
where:
bonds (distance) C4'-P energy: -54.743
bonds (distance) P-C4' energy: -60.690
flat angles C4'-P-C4' energy: -41.524
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: 4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1167.428328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.428328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.428328 (E_RNA)
where:
Base-Base interactions energy: -796.745
where: short stacking energy: -325.898
Base-Backbone interact. energy: -0.390
local terms energy: -370.293243
where:
bonds (distance) C4'-P energy: -66.149
bonds (distance) P-C4' energy: -66.122
flat angles C4'-P-C4' energy: -73.669
flat angles P-C4'-P energy: -54.165
tors. eta vs tors. theta energy: -110.189
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: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1124.346226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.346226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.346226 (E_RNA)
where:
Base-Base interactions energy: -763.759
where: short stacking energy: -327.398
Base-Backbone interact. energy: -0.898
local terms energy: -359.689616
where:
bonds (distance) C4'-P energy: -58.220
bonds (distance) P-C4' energy: -69.211
flat angles C4'-P-C4' energy: -76.643
flat angles P-C4'-P energy: -49.259
tors. eta vs tors. theta energy: -106.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1070.734294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.734294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.734294 (E_RNA)
where:
Base-Base interactions energy: -731.124
where: short stacking energy: -306.440
Base-Backbone interact. energy: -0.734
local terms energy: -338.876497
where:
bonds (distance) C4'-P energy: -59.973
bonds (distance) P-C4' energy: -61.047
flat angles C4'-P-C4' energy: -69.086
flat angles P-C4'-P energy: -48.386
tors. eta vs tors. theta energy: -100.384
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: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -855.188160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.188160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.188160 (E_RNA)
where:
Base-Base interactions energy: -565.891
where: short stacking energy: -246.730
Base-Backbone interact. energy: -2.457
local terms energy: -286.841064
where:
bonds (distance) C4'-P energy: -57.848
bonds (distance) P-C4' energy: -59.943
flat angles C4'-P-C4' energy: -68.503
flat angles P-C4'-P energy: -34.689
tors. eta vs tors. theta energy: -65.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -868.867895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.867895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.867895 (E_RNA)
where:
Base-Base interactions energy: -560.901
where: short stacking energy: -236.904
Base-Backbone interact. energy: -0.670
local terms energy: -307.296535
where:
bonds (distance) C4'-P energy: -57.787
bonds (distance) P-C4' energy: -71.483
flat angles C4'-P-C4' energy: -68.622
flat angles P-C4'-P energy: -41.801
tors. eta vs tors. theta energy: -67.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -687.784239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.784239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.784239 (E_RNA)
where:
Base-Base interactions energy: -399.691
where: short stacking energy: -179.731
Base-Backbone interact. energy: 0.284
local terms energy: -288.376511
where:
bonds (distance) C4'-P energy: -62.977
bonds (distance) P-C4' energy: -69.413
flat angles C4'-P-C4' energy: -70.857
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -41.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -575.923572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.923572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.923572 (E_RNA)
where:
Base-Base interactions energy: -330.757
where: short stacking energy: -158.866
Base-Backbone interact. energy: -1.850
local terms energy: -243.316522
where:
bonds (distance) C4'-P energy: -64.668
bonds (distance) P-C4' energy: -58.270
flat angles C4'-P-C4' energy: -57.275
flat angles P-C4'-P energy: -38.049
tors. eta vs tors. theta energy: -25.054
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: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -411.587319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.587319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.587319 (E_RNA)
where:
Base-Base interactions energy: -194.271
where: short stacking energy: -100.721
Base-Backbone interact. energy: -1.159
local terms energy: -216.157563
where:
bonds (distance) C4'-P energy: -58.988
bonds (distance) P-C4' energy: -59.537
flat angles C4'-P-C4' energy: -50.980
flat angles P-C4'-P energy: -32.231
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -289.950072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.950072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.950072 (E_RNA)
where:
Base-Base interactions energy: -109.342
where: short stacking energy: -84.447
Base-Backbone interact. energy: -2.047
local terms energy: -178.631972
where:
bonds (distance) C4'-P energy: -51.637
bonds (distance) P-C4' energy: -51.225
flat angles C4'-P-C4' energy: -54.366
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: 3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.070 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -261.491187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.491187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.491187 (E_RNA)
where:
Base-Base interactions energy: -93.956
where: short stacking energy: -56.610
Base-Backbone interact. energy: -2.724
local terms energy: -164.811466
where:
bonds (distance) C4'-P energy: -55.243
bonds (distance) P-C4' energy: -47.120
flat angles C4'-P-C4' energy: -42.575
flat angles P-C4'-P energy: -34.969
tors. eta vs tors. theta energy: 15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1156.151458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.151458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.151458 (E_RNA)
where:
Base-Base interactions energy: -790.552
where: short stacking energy: -321.507
Base-Backbone interact. energy: -0.343
local terms energy: -365.256987
where:
bonds (distance) C4'-P energy: -69.427
bonds (distance) P-C4' energy: -69.042
flat angles C4'-P-C4' energy: -78.085
flat angles P-C4'-P energy: -43.986
tors. eta vs tors. theta energy: -104.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1079.720166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.720166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.720166 (E_RNA)
where:
Base-Base interactions energy: -734.910
where: short stacking energy: -319.740
Base-Backbone interact. energy: 0.503
local terms energy: -345.313063
where:
bonds (distance) C4'-P energy: -59.362
bonds (distance) P-C4' energy: -60.904
flat angles C4'-P-C4' energy: -76.321
flat angles P-C4'-P energy: -52.858
tors. eta vs tors. theta energy: -95.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1054.418734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.418734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.418734 (E_RNA)
where:
Base-Base interactions energy: -732.378
where: short stacking energy: -295.501
Base-Backbone interact. energy: -1.535
local terms energy: -320.505451
where:
bonds (distance) C4'-P energy: -61.560
bonds (distance) P-C4' energy: -67.900
flat angles C4'-P-C4' energy: -60.868
flat angles P-C4'-P energy: -42.974
tors. eta vs tors. theta energy: -87.204
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: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -912.460518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.460518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.460518 (E_RNA)
where:
Base-Base interactions energy: -616.031
where: short stacking energy: -256.280
Base-Backbone interact. energy: -1.072
local terms energy: -295.357541
where:
bonds (distance) C4'-P energy: -51.897
bonds (distance) P-C4' energy: -63.280
flat angles C4'-P-C4' energy: -57.388
flat angles P-C4'-P energy: -52.348
tors. eta vs tors. theta energy: -70.445
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: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -898.246617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.246617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.246617 (E_RNA)
where:
Base-Base interactions energy: -601.258
where: short stacking energy: -260.213
Base-Backbone interact. energy: -1.127
local terms energy: -295.861705
where:
bonds (distance) C4'-P energy: -51.259
bonds (distance) P-C4' energy: -47.239
flat angles C4'-P-C4' energy: -69.468
flat angles P-C4'-P energy: -44.285
tors. eta vs tors. theta energy: -83.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -704.850569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.850569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.850569 (E_RNA)
where:
Base-Base interactions energy: -423.573
where: short stacking energy: -204.085
Base-Backbone interact. energy: -3.650
local terms energy: -277.627585
where:
bonds (distance) C4'-P energy: -51.641
bonds (distance) P-C4' energy: -58.067
flat angles C4'-P-C4' energy: -69.189
flat angles P-C4'-P energy: -49.651
tors. eta vs tors. theta energy: -49.080
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: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -606.847272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.847272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.847272 (E_RNA)
where:
Base-Base interactions energy: -372.772
where: short stacking energy: -168.196
Base-Backbone interact. energy: -1.913
local terms energy: -232.162572
where:
bonds (distance) C4'-P energy: -51.227
bonds (distance) P-C4' energy: -58.527
flat angles C4'-P-C4' energy: -62.554
flat angles P-C4'-P energy: -32.771
tors. eta vs tors. theta energy: -27.084
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: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -455.180266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.180266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.180266 (E_RNA)
where:
Base-Base interactions energy: -227.129
where: short stacking energy: -133.631
Base-Backbone interact. energy: -1.267
local terms energy: -226.783856
where:
bonds (distance) C4'-P energy: -54.840
bonds (distance) P-C4' energy: -60.799
flat angles C4'-P-C4' energy: -65.894
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: -12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -291.382951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.382951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.382951 (E_RNA)
where:
Base-Base interactions energy: -114.320
where: short stacking energy: -78.924
Base-Backbone interact. energy: 1.488
local terms energy: -178.550986
where:
bonds (distance) C4'-P energy: -55.675
bonds (distance) P-C4' energy: -59.917
flat angles C4'-P-C4' energy: -58.256
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: 12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -309.478941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.478941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.478941 (E_RNA)
where:
Base-Base interactions energy: -121.650
where: short stacking energy: -97.219
Base-Backbone interact. energy: 0.864
local terms energy: -188.692746
where:
bonds (distance) C4'-P energy: -48.465
bonds (distance) P-C4' energy: -63.576
flat angles C4'-P-C4' energy: -40.624
flat angles P-C4'-P energy: -27.583
tors. eta vs tors. theta energy: -8.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1151.619286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.619286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.619286 (E_RNA)
where:
Base-Base interactions energy: -817.784
where: short stacking energy: -322.644
Base-Backbone interact. energy: -0.523
local terms energy: -333.311876
where:
bonds (distance) C4'-P energy: -57.509
bonds (distance) P-C4' energy: -57.411
flat angles C4'-P-C4' energy: -70.467
flat angles P-C4'-P energy: -48.649
tors. eta vs tors. theta energy: -99.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1081.826957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.826957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.826957 (E_RNA)
where:
Base-Base interactions energy: -722.687
where: short stacking energy: -318.758
Base-Backbone interact. energy: 0.628
local terms energy: -359.766970
where:
bonds (distance) C4'-P energy: -64.788
bonds (distance) P-C4' energy: -77.090
flat angles C4'-P-C4' energy: -71.736
flat angles P-C4'-P energy: -40.707
tors. eta vs tors. theta energy: -105.446
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: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1025.041626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.041626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.041626 (E_RNA)
where:
Base-Base interactions energy: -702.463
where: short stacking energy: -278.986
Base-Backbone interact. energy: -0.525
local terms energy: -322.053947
where:
bonds (distance) C4'-P energy: -57.448
bonds (distance) P-C4' energy: -59.515
flat angles C4'-P-C4' energy: -63.754
flat angles P-C4'-P energy: -53.187
tors. eta vs tors. theta energy: -88.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -892.083741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.083741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.083741 (E_RNA)
where:
Base-Base interactions energy: -592.193
where: short stacking energy: -248.465
Base-Backbone interact. energy: 0.121
local terms energy: -300.011736
where:
bonds (distance) C4'-P energy: -66.400
bonds (distance) P-C4' energy: -51.926
flat angles C4'-P-C4' energy: -67.449
flat angles P-C4'-P energy: -45.422
tors. eta vs tors. theta energy: -68.815
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: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -936.984986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.984986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.984986 (E_RNA)
where:
Base-Base interactions energy: -632.427
where: short stacking energy: -273.734
Base-Backbone interact. energy: -1.135
local terms energy: -303.422814
where:
bonds (distance) C4'-P energy: -49.583
bonds (distance) P-C4' energy: -55.603
flat angles C4'-P-C4' energy: -76.184
flat angles P-C4'-P energy: -39.931
tors. eta vs tors. theta energy: -82.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -696.529103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.529103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.529103 (E_RNA)
where:
Base-Base interactions energy: -421.897
where: short stacking energy: -203.619
Base-Backbone interact. energy: -1.206
local terms energy: -273.425946
where:
bonds (distance) C4'-P energy: -58.690
bonds (distance) P-C4' energy: -50.731
flat angles C4'-P-C4' energy: -68.742
flat angles P-C4'-P energy: -51.475
tors. eta vs tors. theta energy: -43.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -557.480128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.480128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.480128 (E_RNA)
where:
Base-Base interactions energy: -297.588
where: short stacking energy: -131.224
Base-Backbone interact. energy: -2.048
local terms energy: -257.843699
where:
bonds (distance) C4'-P energy: -67.543
bonds (distance) P-C4' energy: -61.745
flat angles C4'-P-C4' energy: -62.423
flat angles P-C4'-P energy: -35.848
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: 8, replica: 7
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -300.847890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.847890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.847890 (E_RNA)
where:
Base-Base interactions energy: -86.287
where: short stacking energy: -72.599
Base-Backbone interact. energy: 0.877
local terms energy: -215.437694
where:
bonds (distance) C4'-P energy: -64.916
bonds (distance) P-C4' energy: -62.766
flat angles C4'-P-C4' energy: -51.069
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: 4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -421.814294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.814294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.814294 (E_RNA)
where:
Base-Base interactions energy: -198.912
where: short stacking energy: -101.061
Base-Backbone interact. energy: -1.483
local terms energy: -221.418700
where:
bonds (distance) C4'-P energy: -56.266
bonds (distance) P-C4' energy: -75.496
flat angles C4'-P-C4' energy: -52.979
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: 6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -266.426329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.426329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.426329 (E_RNA)
where:
Base-Base interactions energy: -74.082
where: short stacking energy: -53.403
Base-Backbone interact. energy: -1.785
local terms energy: -190.559964
where:
bonds (distance) C4'-P energy: -59.419
bonds (distance) P-C4' energy: -66.541
flat angles C4'-P-C4' energy: -42.315
flat angles P-C4'-P energy: -34.313
tors. eta vs tors. theta energy: 12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1154.365370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.365370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.365370 (E_RNA)
where:
Base-Base interactions energy: -787.219
where: short stacking energy: -319.368
Base-Backbone interact. energy: -1.210
local terms energy: -365.936353
where:
bonds (distance) C4'-P energy: -72.672
bonds (distance) P-C4' energy: -55.689
flat angles C4'-P-C4' energy: -83.794
flat angles P-C4'-P energy: -48.428
tors. eta vs tors. theta energy: -105.353
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: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1072.069909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.069909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.069909 (E_RNA)
where:
Base-Base interactions energy: -746.269
where: short stacking energy: -307.466
Base-Backbone interact. energy: -0.778
local terms energy: -325.023061
where:
bonds (distance) C4'-P energy: -59.979
bonds (distance) P-C4' energy: -53.291
flat angles C4'-P-C4' energy: -74.265
flat angles P-C4'-P energy: -44.626
tors. eta vs tors. theta energy: -92.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1040.495218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.495218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.495218 (E_RNA)
where:
Base-Base interactions energy: -698.216
where: short stacking energy: -290.542
Base-Backbone interact. energy: -1.132
local terms energy: -341.147615
where:
bonds (distance) C4'-P energy: -64.988
bonds (distance) P-C4' energy: -65.478
flat angles C4'-P-C4' energy: -62.121
flat angles P-C4'-P energy: -47.094
tors. eta vs tors. theta energy: -101.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -922.171169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.171169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.171169 (E_RNA)
where:
Base-Base interactions energy: -621.151
where: short stacking energy: -278.093
Base-Backbone interact. energy: 0.851
local terms energy: -301.871759
where:
bonds (distance) C4'-P energy: -60.110
bonds (distance) P-C4' energy: -57.755
flat angles C4'-P-C4' energy: -72.384
flat angles P-C4'-P energy: -41.449
tors. eta vs tors. theta energy: -70.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -920.034592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.034592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.034592 (E_RNA)
where:
Base-Base interactions energy: -605.561
where: short stacking energy: -257.450
Base-Backbone interact. energy: -1.001
local terms energy: -313.473171
where:
bonds (distance) C4'-P energy: -68.233
bonds (distance) P-C4' energy: -54.396
flat angles C4'-P-C4' energy: -70.822
flat angles P-C4'-P energy: -38.524
tors. eta vs tors. theta energy: -81.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -693.480876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.480876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.480876 (E_RNA)
where:
Base-Base interactions energy: -430.067
where: short stacking energy: -162.719
Base-Backbone interact. energy: 0.584
local terms energy: -263.997428
where:
bonds (distance) C4'-P energy: -52.540
bonds (distance) P-C4' energy: -76.846
flat angles C4'-P-C4' energy: -55.533
flat angles P-C4'-P energy: -44.696
tors. eta vs tors. theta energy: -34.382
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: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -538.606745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.606745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.606745 (E_RNA)
where:
Base-Base interactions energy: -306.613
where: short stacking energy: -154.644
Base-Backbone interact. energy: -1.575
local terms energy: -230.418085
where:
bonds (distance) C4'-P energy: -58.596
bonds (distance) P-C4' energy: -59.813
flat angles C4'-P-C4' energy: -54.320
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -318.075399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.075399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.075399 (E_RNA)
where:
Base-Base interactions energy: -104.494
where: short stacking energy: -85.338
Base-Backbone interact. energy: -0.541
local terms energy: -213.040413
where:
bonds (distance) C4'-P energy: -57.789
bonds (distance) P-C4' energy: -64.657
flat angles C4'-P-C4' energy: -51.964
flat angles P-C4'-P energy: -38.574
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -410.490589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.490589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.490589 (E_RNA)
where:
Base-Base interactions energy: -198.912
where: short stacking energy: -98.806
Base-Backbone interact. energy: 2.509
local terms energy: -214.087846
where:
bonds (distance) C4'-P energy: -53.181
bonds (distance) P-C4' energy: -58.537
flat angles C4'-P-C4' energy: -57.748
flat angles P-C4'-P energy: -40.162
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -276.474045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.474045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.474045 (E_RNA)
where:
Base-Base interactions energy: -97.982
where: short stacking energy: -90.666
Base-Backbone interact. energy: -1.392
local terms energy: -177.100572
where:
bonds (distance) C4'-P energy: -52.477
bonds (distance) P-C4' energy: -61.685
flat angles C4'-P-C4' energy: -52.810
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: 7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1151.423771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.423771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.423771 (E_RNA)
where:
Base-Base interactions energy: -789.983
where: short stacking energy: -337.744
Base-Backbone interact. energy: -0.928
local terms energy: -360.512444
where:
bonds (distance) C4'-P energy: -74.194
bonds (distance) P-C4' energy: -64.584
flat angles C4'-P-C4' energy: -72.542
flat angles P-C4'-P energy: -42.387
tors. eta vs tors. theta energy: -106.805
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: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1093.267717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.267717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.267717 (E_RNA)
where:
Base-Base interactions energy: -743.657
where: short stacking energy: -321.151
Base-Backbone interact. energy: -0.385
local terms energy: -349.226200
where:
bonds (distance) C4'-P energy: -64.853
bonds (distance) P-C4' energy: -60.734
flat angles C4'-P-C4' energy: -71.483
flat angles P-C4'-P energy: -49.163
tors. eta vs tors. theta energy: -102.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1034.076808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.076808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.076808 (E_RNA)
where:
Base-Base interactions energy: -706.152
where: short stacking energy: -293.044
Base-Backbone interact. energy: 0.524
local terms energy: -328.448650
where:
bonds (distance) C4'-P energy: -61.822
bonds (distance) P-C4' energy: -59.993
flat angles C4'-P-C4' energy: -76.531
flat angles P-C4'-P energy: -44.642
tors. eta vs tors. theta energy: -85.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -903.692831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.692831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.692831 (E_RNA)
where:
Base-Base interactions energy: -606.999
where: short stacking energy: -252.520
Base-Backbone interact. energy: 1.307
local terms energy: -298.001357
where:
bonds (distance) C4'-P energy: -67.088
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -60.599
flat angles P-C4'-P energy: -46.415
tors. eta vs tors. theta energy: -68.444
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: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -887.439851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.439851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.439851 (E_RNA)
where:
Base-Base interactions energy: -580.751
where: short stacking energy: -254.347
Base-Backbone interact. energy: -0.950
local terms energy: -305.738852
where:
bonds (distance) C4'-P energy: -60.738
bonds (distance) P-C4' energy: -62.871
flat angles C4'-P-C4' energy: -67.849
flat angles P-C4'-P energy: -41.538
tors. eta vs tors. theta energy: -72.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -681.530252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.530252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.530252 (E_RNA)
where:
Base-Base interactions energy: -423.683
where: short stacking energy: -180.904
Base-Backbone interact. energy: 3.675
local terms energy: -261.522209
where:
bonds (distance) C4'-P energy: -46.883
bonds (distance) P-C4' energy: -75.182
flat angles C4'-P-C4' energy: -61.222
flat angles P-C4'-P energy: -36.579
tors. eta vs tors. theta energy: -41.656
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: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -547.335580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.335580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.335580 (E_RNA)
where:
Base-Base interactions energy: -318.280
where: short stacking energy: -159.164
Base-Backbone interact. energy: 1.017
local terms energy: -230.072601
where:
bonds (distance) C4'-P energy: -50.909
bonds (distance) P-C4' energy: -65.912
flat angles C4'-P-C4' energy: -50.352
flat angles P-C4'-P energy: -39.418
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: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -419.530159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.530159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.530159 (E_RNA)
where:
Base-Base interactions energy: -225.431
where: short stacking energy: -101.787
Base-Backbone interact. energy: -3.193
local terms energy: -190.905957
where:
bonds (distance) C4'-P energy: -55.103
bonds (distance) P-C4' energy: -62.506
flat angles C4'-P-C4' energy: -44.104
flat angles P-C4'-P energy: -30.636
tors. eta vs tors. theta energy: 1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -321.576191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.576191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.576191 (E_RNA)
where:
Base-Base interactions energy: -135.877
where: short stacking energy: -89.181
Base-Backbone interact. energy: 4.252
local terms energy: -189.950542
where:
bonds (distance) C4'-P energy: -43.103
bonds (distance) P-C4' energy: -69.912
flat angles C4'-P-C4' energy: -40.644
flat angles P-C4'-P energy: -42.096
tors. eta vs tors. theta energy: 5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -270.917279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.917279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.917279 (E_RNA)
where:
Base-Base interactions energy: -122.572
where: short stacking energy: -81.381
Base-Backbone interact. energy: 2.634
local terms energy: -150.979653
where:
bonds (distance) C4'-P energy: -40.319
bonds (distance) P-C4' energy: -49.170
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: 17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1158.486125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.486125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.486125 (E_RNA)
where:
Base-Base interactions energy: -794.220
where: short stacking energy: -340.464
Base-Backbone interact. energy: -1.523
local terms energy: -362.742998
where:
bonds (distance) C4'-P energy: -65.414
bonds (distance) P-C4' energy: -73.464
flat angles C4'-P-C4' energy: -75.379
flat angles P-C4'-P energy: -46.130
tors. eta vs tors. theta energy: -102.356
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: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1108.719635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.719635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.719635 (E_RNA)
where:
Base-Base interactions energy: -769.288
where: short stacking energy: -323.256
Base-Backbone interact. energy: 1.949
local terms energy: -341.380406
where:
bonds (distance) C4'-P energy: -56.972
bonds (distance) P-C4' energy: -69.767
flat angles C4'-P-C4' energy: -71.050
flat angles P-C4'-P energy: -51.755
tors. eta vs tors. theta energy: -91.835
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: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1040.952261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.952261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.952261 (E_RNA)
where:
Base-Base interactions energy: -689.184
where: short stacking energy: -289.910
Base-Backbone interact. energy: -2.548
local terms energy: -349.219824
where:
bonds (distance) C4'-P energy: -66.768
bonds (distance) P-C4' energy: -65.304
flat angles C4'-P-C4' energy: -68.685
flat angles P-C4'-P energy: -51.786
tors. eta vs tors. theta energy: -96.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -915.770593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.770593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.770593 (E_RNA)
where:
Base-Base interactions energy: -596.181
where: short stacking energy: -263.698
Base-Backbone interact. energy: -0.417
local terms energy: -319.172259
where:
bonds (distance) C4'-P energy: -57.179
bonds (distance) P-C4' energy: -57.689
flat angles C4'-P-C4' energy: -76.860
flat angles P-C4'-P energy: -49.928
tors. eta vs tors. theta energy: -77.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -894.264679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.264679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.264679 (E_RNA)
where:
Base-Base interactions energy: -587.730
where: short stacking energy: -231.452
Base-Backbone interact. energy: -1.647
local terms energy: -304.887572
where:
bonds (distance) C4'-P energy: -49.061
bonds (distance) P-C4' energy: -64.194
flat angles C4'-P-C4' energy: -66.943
flat angles P-C4'-P energy: -53.957
tors. eta vs tors. theta energy: -70.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -620.075199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.075199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.075199 (E_RNA)
where:
Base-Base interactions energy: -383.709
where: short stacking energy: -176.470
Base-Backbone interact. energy: -0.100
local terms energy: -236.266275
where:
bonds (distance) C4'-P energy: -63.895
bonds (distance) P-C4' energy: -68.976
flat angles C4'-P-C4' energy: -43.134
flat angles P-C4'-P energy: -29.655
tors. eta vs tors. theta energy: -30.606
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: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -589.337313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.337313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.337313 (E_RNA)
where:
Base-Base interactions energy: -345.105
where: short stacking energy: -168.610
Base-Backbone interact. energy: -0.753
local terms energy: -243.479459
where:
bonds (distance) C4'-P energy: -62.995
bonds (distance) P-C4' energy: -55.820
flat angles C4'-P-C4' energy: -60.901
flat angles P-C4'-P energy: -31.270
tors. eta vs tors. theta energy: -32.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -490.999637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.999637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.999637 (E_RNA)
where:
Base-Base interactions energy: -264.339
where: short stacking energy: -136.026
Base-Backbone interact. energy: -0.906
local terms energy: -225.754296
where:
bonds (distance) C4'-P energy: -54.452
bonds (distance) P-C4' energy: -59.511
flat angles C4'-P-C4' energy: -52.662
flat angles P-C4'-P energy: -36.169
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: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -283.415871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.415871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.415871 (E_RNA)
where:
Base-Base interactions energy: -101.178
where: short stacking energy: -68.956
Base-Backbone interact. energy: 3.985
local terms energy: -186.222835
where:
bonds (distance) C4'-P energy: -58.832
bonds (distance) P-C4' energy: -67.768
flat angles C4'-P-C4' energy: -49.690
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: 10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -259.548501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.548501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.548501 (E_RNA)
where:
Base-Base interactions energy: -97.802
where: short stacking energy: -75.994
Base-Backbone interact. energy: 2.019
local terms energy: -163.764798
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -55.031
flat angles C4'-P-C4' energy: -38.316
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: 7.525
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: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1151.852506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.852506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.852506 (E_RNA)
where:
Base-Base interactions energy: -774.093
where: short stacking energy: -327.103
Base-Backbone interact. energy: -1.674
local terms energy: -376.085208
where:
bonds (distance) C4'-P energy: -64.825
bonds (distance) P-C4' energy: -72.112
flat angles C4'-P-C4' energy: -80.842
flat angles P-C4'-P energy: -52.927
tors. eta vs tors. theta energy: -105.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1115.942189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.942189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.942189 (E_RNA)
where:
Base-Base interactions energy: -768.438
where: short stacking energy: -312.054
Base-Backbone interact. energy: -1.729
local terms energy: -345.775269
where:
bonds (distance) C4'-P energy: -65.995
bonds (distance) P-C4' energy: -65.501
flat angles C4'-P-C4' energy: -71.013
flat angles P-C4'-P energy: -50.124
tors. eta vs tors. theta energy: -93.143
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: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1051.622336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.622336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.622336 (E_RNA)
where:
Base-Base interactions energy: -723.055
where: short stacking energy: -297.479
Base-Backbone interact. energy: -1.160
local terms energy: -327.407018
where:
bonds (distance) C4'-P energy: -57.127
bonds (distance) P-C4' energy: -61.106
flat angles C4'-P-C4' energy: -72.270
flat angles P-C4'-P energy: -40.349
tors. eta vs tors. theta energy: -96.556
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: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -917.526209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.526209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.526209 (E_RNA)
where:
Base-Base interactions energy: -625.844
where: short stacking energy: -252.469
Base-Backbone interact. energy: -0.442
local terms energy: -291.240927
where:
bonds (distance) C4'-P energy: -61.350
bonds (distance) P-C4' energy: -57.472
flat angles C4'-P-C4' energy: -68.543
flat angles P-C4'-P energy: -44.573
tors. eta vs tors. theta energy: -59.303
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: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -874.110110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.110110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.110110 (E_RNA)
where:
Base-Base interactions energy: -573.840
where: short stacking energy: -247.118
Base-Backbone interact. energy: -1.205
local terms energy: -299.065650
where:
bonds (distance) C4'-P energy: -66.425
bonds (distance) P-C4' energy: -53.734
flat angles C4'-P-C4' energy: -66.058
flat angles P-C4'-P energy: -42.711
tors. eta vs tors. theta energy: -70.139
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: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -679.512870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.512870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.512870 (E_RNA)
where:
Base-Base interactions energy: -422.264
where: short stacking energy: -190.674
Base-Backbone interact. energy: -0.752
local terms energy: -256.496842
where:
bonds (distance) C4'-P energy: -47.466
bonds (distance) P-C4' energy: -60.090
flat angles C4'-P-C4' energy: -60.110
flat angles P-C4'-P energy: -42.642
tors. eta vs tors. theta energy: -46.189
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: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -526.183390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.183390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.183390 (E_RNA)
where:
Base-Base interactions energy: -312.071
where: short stacking energy: -163.690
Base-Backbone interact. energy: 1.595
local terms energy: -216.838252
where:
bonds (distance) C4'-P energy: -57.965
bonds (distance) P-C4' energy: -64.896
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.130 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -509.350405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.350405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.350405 (E_RNA)
where:
Base-Base interactions energy: -291.298
where: short stacking energy: -144.849
Base-Backbone interact. energy: 0.178
local terms energy: -218.230163
where:
bonds (distance) C4'-P energy: -58.917
bonds (distance) P-C4' energy: -61.342
flat angles C4'-P-C4' energy: -57.535
flat angles P-C4'-P energy: -34.781
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -284.188168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.188168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.188168 (E_RNA)
where:
Base-Base interactions energy: -106.784
where: short stacking energy: -81.434
Base-Backbone interact. energy: -1.652
local terms energy: -175.752945
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -65.073
flat angles C4'-P-C4' energy: -61.690
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: 11.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -268.279680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.279680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.279680 (E_RNA)
where:
Base-Base interactions energy: -103.434
where: short stacking energy: -68.690
Base-Backbone interact. energy: 2.259
local terms energy: -167.105225
where:
bonds (distance) C4'-P energy: -46.252
bonds (distance) P-C4' energy: -54.984
flat angles C4'-P-C4' energy: -56.632
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: 10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1169.003222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.003222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.003222 (E_RNA)
where:
Base-Base interactions energy: -807.508
where: short stacking energy: -327.428
Base-Backbone interact. energy: -0.892
local terms energy: -360.603654
where:
bonds (distance) C4'-P energy: -68.111
bonds (distance) P-C4' energy: -70.546
flat angles C4'-P-C4' energy: -73.228
flat angles P-C4'-P energy: -52.388
tors. eta vs tors. theta energy: -96.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1101.892609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.892609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.892609 (E_RNA)
where:
Base-Base interactions energy: -765.015
where: short stacking energy: -306.774
Base-Backbone interact. energy: -0.974
local terms energy: -335.903478
where:
bonds (distance) C4'-P energy: -55.937
bonds (distance) P-C4' energy: -65.909
flat angles C4'-P-C4' energy: -69.567
flat angles P-C4'-P energy: -48.454
tors. eta vs tors. theta energy: -96.036
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: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1040.333777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.333777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.333777 (E_RNA)
where:
Base-Base interactions energy: -694.203
where: short stacking energy: -301.961
Base-Backbone interact. energy: -1.523
local terms energy: -344.607655
where:
bonds (distance) C4'-P energy: -56.757
bonds (distance) P-C4' energy: -75.487
flat angles C4'-P-C4' energy: -66.078
flat angles P-C4'-P energy: -57.107
tors. eta vs tors. theta energy: -89.178
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: 4, replica: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -952.678750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.678750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.678750 (E_RNA)
where:
Base-Base interactions energy: -623.794
where: short stacking energy: -273.192
Base-Backbone interact. energy: -0.486
local terms energy: -328.398533
where:
bonds (distance) C4'-P energy: -72.962
bonds (distance) P-C4' energy: -64.744
flat angles C4'-P-C4' energy: -68.017
flat angles P-C4'-P energy: -43.286
tors. eta vs tors. theta energy: -79.390
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: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -878.439835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.439835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.439835 (E_RNA)
where:
Base-Base interactions energy: -591.151
where: short stacking energy: -255.599
Base-Backbone interact. energy: -0.376
local terms energy: -286.912802
where:
bonds (distance) C4'-P energy: -58.853
bonds (distance) P-C4' energy: -60.983
flat angles C4'-P-C4' energy: -58.342
flat angles P-C4'-P energy: -45.605
tors. eta vs tors. theta energy: -63.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -673.515697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.515697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.515697 (E_RNA)
where:
Base-Base interactions energy: -413.365
where: short stacking energy: -189.911
Base-Backbone interact. energy: -1.284
local terms energy: -258.867412
where:
bonds (distance) C4'-P energy: -55.164
bonds (distance) P-C4' energy: -66.816
flat angles C4'-P-C4' energy: -56.220
flat angles P-C4'-P energy: -38.944
tors. eta vs tors. theta energy: -41.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -549.162057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.162057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.162057 (E_RNA)
where:
Base-Base interactions energy: -302.192
where: short stacking energy: -155.210
Base-Backbone interact. energy: -0.380
local terms energy: -246.590163
where:
bonds (distance) C4'-P energy: -61.469
bonds (distance) P-C4' energy: -67.041
flat angles C4'-P-C4' energy: -62.005
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -492.630103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.630103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.630103 (E_RNA)
where:
Base-Base interactions energy: -275.962
where: short stacking energy: -145.896
Base-Backbone interact. energy: 1.607
local terms energy: -218.274618
where:
bonds (distance) C4'-P energy: -55.413
bonds (distance) P-C4' energy: -56.586
flat angles C4'-P-C4' energy: -58.231
flat angles P-C4'-P energy: -35.540
tors. eta vs tors. theta energy: -12.505
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: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -305.780751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.780751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.780751 (E_RNA)
where:
Base-Base interactions energy: -111.973
where: short stacking energy: -102.786
Base-Backbone interact. energy: 0.224
local terms energy: -194.032624
where:
bonds (distance) C4'-P energy: -55.420
bonds (distance) P-C4' energy: -63.977
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -40.774
tors. eta vs tors. theta energy: 2.231
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: 9
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -266.320505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.320505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.320505 (E_RNA)
where:
Base-Base interactions energy: -99.495
where: short stacking energy: -90.919
Base-Backbone interact. energy: 0.514
local terms energy: -167.338603
where:
bonds (distance) C4'-P energy: -44.068
bonds (distance) P-C4' energy: -61.909
flat angles C4'-P-C4' energy: -44.802
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: 3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1161.572042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.572042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.572042 (E_RNA)
where:
Base-Base interactions energy: -794.981
where: short stacking energy: -318.193
Base-Backbone interact. energy: -0.519
local terms energy: -366.072733
where:
bonds (distance) C4'-P energy: -67.264
bonds (distance) P-C4' energy: -74.187
flat angles C4'-P-C4' energy: -73.290
flat angles P-C4'-P energy: -47.196
tors. eta vs tors. theta energy: -104.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1098.361717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.361717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.361717 (E_RNA)
where:
Base-Base interactions energy: -758.336
where: short stacking energy: -307.153
Base-Backbone interact. energy: -2.111
local terms energy: -337.914917
where:
bonds (distance) C4'-P energy: -63.138
bonds (distance) P-C4' energy: -63.256
flat angles C4'-P-C4' energy: -79.533
flat angles P-C4'-P energy: -37.703
tors. eta vs tors. theta energy: -94.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1034.124888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.124888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.124888 (E_RNA)
where:
Base-Base interactions energy: -713.577
where: short stacking energy: -290.460
Base-Backbone interact. energy: 1.410
local terms energy: -321.957933
where:
bonds (distance) C4'-P energy: -56.708
bonds (distance) P-C4' energy: -58.583
flat angles C4'-P-C4' energy: -69.744
flat angles P-C4'-P energy: -44.878
tors. eta vs tors. theta energy: -92.045
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: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -929.404802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.404802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.404802 (E_RNA)
where:
Base-Base interactions energy: -626.883
where: short stacking energy: -263.817
Base-Backbone interact. energy: 1.326
local terms energy: -303.848635
where:
bonds (distance) C4'-P energy: -55.991
bonds (distance) P-C4' energy: -71.150
flat angles C4'-P-C4' energy: -68.279
flat angles P-C4'-P energy: -47.280
tors. eta vs tors. theta energy: -61.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -931.751745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.751745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.751745 (E_RNA)
where:
Base-Base interactions energy: -616.847
where: short stacking energy: -268.582
Base-Backbone interact. energy: -3.122
local terms energy: -311.782807
where:
bonds (distance) C4'-P energy: -55.712
bonds (distance) P-C4' energy: -63.684
flat angles C4'-P-C4' energy: -63.559
flat angles P-C4'-P energy: -51.175
tors. eta vs tors. theta energy: -77.654
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: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -663.046864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.046864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.046864 (E_RNA)
where:
Base-Base interactions energy: -391.962
where: short stacking energy: -185.341
Base-Backbone interact. energy: -1.554
local terms energy: -269.530537
where:
bonds (distance) C4'-P energy: -57.814
bonds (distance) P-C4' energy: -62.175
flat angles C4'-P-C4' energy: -65.709
flat angles P-C4'-P energy: -41.029
tors. eta vs tors. theta energy: -42.804
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: 365
Temperature: 1.200000
Total energy: -578.741389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.741389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.741389 (E_RNA)
where:
Base-Base interactions energy: -341.495
where: short stacking energy: -149.328
Base-Backbone interact. energy: -0.674
local terms energy: -236.571842
where:
bonds (distance) C4'-P energy: -51.924
bonds (distance) P-C4' energy: -68.365
flat angles C4'-P-C4' energy: -63.005
flat angles P-C4'-P energy: -34.841
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -498.607092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.607092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.607092 (E_RNA)
where:
Base-Base interactions energy: -292.153
where: short stacking energy: -146.814
Base-Backbone interact. energy: -1.006
local terms energy: -205.448516
where:
bonds (distance) C4'-P energy: -51.662
bonds (distance) P-C4' energy: -51.689
flat angles C4'-P-C4' energy: -51.701
flat angles P-C4'-P energy: -28.748
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -328.057422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.057422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.057422 (E_RNA)
where:
Base-Base interactions energy: -114.456
where: short stacking energy: -87.376
Base-Backbone interact. energy: -0.868
local terms energy: -212.733018
where:
bonds (distance) C4'-P energy: -61.925
bonds (distance) P-C4' energy: -60.465
flat angles C4'-P-C4' energy: -56.831
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -276.573645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.573645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.573645 (E_RNA)
where:
Base-Base interactions energy: -91.977
where: short stacking energy: -77.901
Base-Backbone interact. energy: 0.087
local terms energy: -184.683554
where:
bonds (distance) C4'-P energy: -52.335
bonds (distance) P-C4' energy: -52.012
flat angles C4'-P-C4' energy: -48.810
flat angles P-C4'-P energy: -35.946
tors. eta vs tors. theta energy: 4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1178.633274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.633274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.633274 (E_RNA)
where:
Base-Base interactions energy: -803.636
where: short stacking energy: -348.352
Base-Backbone interact. energy: -0.562
local terms energy: -374.435576
where:
bonds (distance) C4'-P energy: -60.078
bonds (distance) P-C4' energy: -73.187
flat angles C4'-P-C4' energy: -81.577
flat angles P-C4'-P energy: -54.262
tors. eta vs tors. theta energy: -105.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1087.002929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.002929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.002929 (E_RNA)
where:
Base-Base interactions energy: -749.316
where: short stacking energy: -299.392
Base-Backbone interact. energy: -2.517
local terms energy: -335.169763
where:
bonds (distance) C4'-P energy: -57.579
bonds (distance) P-C4' energy: -63.962
flat angles C4'-P-C4' energy: -75.896
flat angles P-C4'-P energy: -44.113
tors. eta vs tors. theta energy: -93.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1020.326988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.326988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.326988 (E_RNA)
where:
Base-Base interactions energy: -680.054
where: short stacking energy: -277.868
Base-Backbone interact. energy: 0.331
local terms energy: -340.604586
where:
bonds (distance) C4'-P energy: -63.743
bonds (distance) P-C4' energy: -61.246
flat angles C4'-P-C4' energy: -76.274
flat angles P-C4'-P energy: -53.865
tors. eta vs tors. theta energy: -85.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -930.880677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.880677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.880677 (E_RNA)
where:
Base-Base interactions energy: -633.863
where: short stacking energy: -289.183
Base-Backbone interact. energy: 2.596
local terms energy: -299.614062
where:
bonds (distance) C4'-P energy: -55.737
bonds (distance) P-C4' energy: -54.006
flat angles C4'-P-C4' energy: -62.458
flat angles P-C4'-P energy: -48.566
tors. eta vs tors. theta energy: -78.847
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: 366
Temperature: 1.100000
Total energy: -916.529360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.529360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.529360 (E_RNA)
where:
Base-Base interactions energy: -607.482
where: short stacking energy: -264.692
Base-Backbone interact. energy: 0.170
local terms energy: -309.217476
where:
bonds (distance) C4'-P energy: -54.942
bonds (distance) P-C4' energy: -59.255
flat angles C4'-P-C4' energy: -69.514
flat angles P-C4'-P energy: -50.266
tors. eta vs tors. theta energy: -75.241
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: 6
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -692.199273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.199273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.199273 (E_RNA)
where:
Base-Base interactions energy: -426.816
where: short stacking energy: -212.483
Base-Backbone interact. energy: 0.561
local terms energy: -265.944245
where:
bonds (distance) C4'-P energy: -59.398
bonds (distance) P-C4' energy: -62.843
flat angles C4'-P-C4' energy: -55.286
flat angles P-C4'-P energy: -41.139
tors. eta vs tors. theta energy: -47.278
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: 366
Temperature: 1.200000
Total energy: -543.920601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.920601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.920601 (E_RNA)
where:
Base-Base interactions energy: -287.479
where: short stacking energy: -140.296
Base-Backbone interact. energy: -0.849
local terms energy: -255.593434
where:
bonds (distance) C4'-P energy: -67.433
bonds (distance) P-C4' energy: -65.396
flat angles C4'-P-C4' energy: -63.048
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: -20.990
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: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -539.387408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.387408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.387408 (E_RNA)
where:
Base-Base interactions energy: -314.377
where: short stacking energy: -155.458
Base-Backbone interact. energy: 0.631
local terms energy: -225.641145
where:
bonds (distance) C4'-P energy: -52.822
bonds (distance) P-C4' energy: -50.560
flat angles C4'-P-C4' energy: -65.445
flat angles P-C4'-P energy: -33.322
tors. eta vs tors. theta energy: -23.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -283.735190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.735190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.735190 (E_RNA)
where:
Base-Base interactions energy: -105.391
where: short stacking energy: -72.319
Base-Backbone interact. energy: -0.465
local terms energy: -177.878835
where:
bonds (distance) C4'-P energy: -53.505
bonds (distance) P-C4' energy: -61.696
flat angles C4'-P-C4' energy: -46.306
flat angles P-C4'-P energy: -25.512
tors. eta vs tors. theta energy: 9.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -287.758297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.758297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.758297 (E_RNA)
where:
Base-Base interactions energy: -92.766
where: short stacking energy: -74.010
Base-Backbone interact. energy: -1.267
local terms energy: -193.725371
where:
bonds (distance) C4'-P energy: -57.652
bonds (distance) P-C4' energy: -53.374
flat angles C4'-P-C4' energy: -57.489
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: 11.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1164.463155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.463155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.463155 (E_RNA)
where:
Base-Base interactions energy: -803.983
where: short stacking energy: -337.483
Base-Backbone interact. energy: 1.444
local terms energy: -361.924475
where:
bonds (distance) C4'-P energy: -67.581
bonds (distance) P-C4' energy: -67.379
flat angles C4'-P-C4' energy: -76.303
flat angles P-C4'-P energy: -45.798
tors. eta vs tors. theta energy: -104.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1080.241475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.241475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.241475 (E_RNA)
where:
Base-Base interactions energy: -724.808
where: short stacking energy: -318.602
Base-Backbone interact. energy: 2.455
local terms energy: -357.887992
where:
bonds (distance) C4'-P energy: -63.210
bonds (distance) P-C4' energy: -64.446
flat angles C4'-P-C4' energy: -79.286
flat angles P-C4'-P energy: -53.123
tors. eta vs tors. theta energy: -97.822
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: 367
Temperature: 1.000000
Total energy: -1018.566777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.566777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.566777 (E_RNA)
where:
Base-Base interactions energy: -689.042
where: short stacking energy: -293.301
Base-Backbone interact. energy: -1.333
local terms energy: -328.192092
where:
bonds (distance) C4'-P energy: -62.640
bonds (distance) P-C4' energy: -64.011
flat angles C4'-P-C4' energy: -74.005
flat angles P-C4'-P energy: -49.395
tors. eta vs tors. theta energy: -78.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -934.294222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.294222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.294222 (E_RNA)
where:
Base-Base interactions energy: -624.885
where: short stacking energy: -274.594
Base-Backbone interact. energy: -2.693
local terms energy: -306.716861
where:
bonds (distance) C4'-P energy: -50.578
bonds (distance) P-C4' energy: -58.404
flat angles C4'-P-C4' energy: -72.317
flat angles P-C4'-P energy: -47.430
tors. eta vs tors. theta energy: -77.988
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: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -932.099258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.099258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.099258 (E_RNA)
where:
Base-Base interactions energy: -623.587
where: short stacking energy: -272.162
Base-Backbone interact. energy: -1.220
local terms energy: -307.291965
where:
bonds (distance) C4'-P energy: -62.484
bonds (distance) P-C4' energy: -51.476
flat angles C4'-P-C4' energy: -64.547
flat angles P-C4'-P energy: -38.474
tors. eta vs tors. theta energy: -90.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -708.475567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.475567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.475567 (E_RNA)
where:
Base-Base interactions energy: -431.358
where: short stacking energy: -203.639
Base-Backbone interact. energy: -0.163
local terms energy: -276.954112
where:
bonds (distance) C4'-P energy: -61.860
bonds (distance) P-C4' energy: -64.031
flat angles C4'-P-C4' energy: -65.887
flat angles P-C4'-P energy: -38.236
tors. eta vs tors. theta energy: -46.940
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: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -526.604994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.604994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.604994 (E_RNA)
where:
Base-Base interactions energy: -282.167
where: short stacking energy: -143.764
Base-Backbone interact. energy: -1.523
local terms energy: -242.914739
where:
bonds (distance) C4'-P energy: -55.026
bonds (distance) P-C4' energy: -60.793
flat angles C4'-P-C4' energy: -66.383
flat angles P-C4'-P energy: -32.905
tors. eta vs tors. theta energy: -27.809
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: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -551.222177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.222177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.222177 (E_RNA)
where:
Base-Base interactions energy: -338.139
where: short stacking energy: -159.173
Base-Backbone interact. energy: 2.635
local terms energy: -215.718707
where:
bonds (distance) C4'-P energy: -54.639
bonds (distance) P-C4' energy: -62.673
flat angles C4'-P-C4' energy: -44.978
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -299.143017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.143017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.143017 (E_RNA)
where:
Base-Base interactions energy: -123.026
where: short stacking energy: -84.807
Base-Backbone interact. energy: 2.617
local terms energy: -178.734478
where:
bonds (distance) C4'-P energy: -46.547
bonds (distance) P-C4' energy: -60.130
flat angles C4'-P-C4' energy: -51.956
flat angles P-C4'-P energy: -25.849
tors. eta vs tors. theta energy: 5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -286.213610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.213610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.213610 (E_RNA)
where:
Base-Base interactions energy: -121.907
where: short stacking energy: -80.455
Base-Backbone interact. energy: 1.980
local terms energy: -171.826316
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -54.556
flat angles C4'-P-C4' energy: -45.418
flat angles P-C4'-P energy: -28.101
tors. eta vs tors. theta energy: 7.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 5.540 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1147.908012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.908012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.908012 (E_RNA)
where:
Base-Base interactions energy: -784.997
where: short stacking energy: -319.457
Base-Backbone interact. energy: 0.330
local terms energy: -363.240815
where:
bonds (distance) C4'-P energy: -66.108
bonds (distance) P-C4' energy: -72.995
flat angles C4'-P-C4' energy: -72.425
flat angles P-C4'-P energy: -51.703
tors. eta vs tors. theta energy: -100.010
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: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1065.433872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.433872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.433872 (E_RNA)
where:
Base-Base interactions energy: -719.274
where: short stacking energy: -316.783
Base-Backbone interact. energy: 2.432
local terms energy: -348.591060
where:
bonds (distance) C4'-P energy: -68.128
bonds (distance) P-C4' energy: -62.004
flat angles C4'-P-C4' energy: -73.223
flat angles P-C4'-P energy: -51.233
tors. eta vs tors. theta energy: -94.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1031.959558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.959558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.959558 (E_RNA)
where:
Base-Base interactions energy: -709.087
where: short stacking energy: -286.749
Base-Backbone interact. energy: -0.393
local terms energy: -322.480088
where:
bonds (distance) C4'-P energy: -59.962
bonds (distance) P-C4' energy: -57.794
flat angles C4'-P-C4' energy: -70.936
flat angles P-C4'-P energy: -45.242
tors. eta vs tors. theta energy: -88.545
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: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -922.352898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.352898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.352898 (E_RNA)
where:
Base-Base interactions energy: -596.069
where: short stacking energy: -259.504
Base-Backbone interact. energy: -0.422
local terms energy: -325.861732
where:
bonds (distance) C4'-P energy: -68.306
bonds (distance) P-C4' energy: -65.125
flat angles C4'-P-C4' energy: -63.429
flat angles P-C4'-P energy: -46.268
tors. eta vs tors. theta energy: -82.735
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: 368
Temperature: 1.100000
Total energy: -926.218784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.218784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.218784 (E_RNA)
where:
Base-Base interactions energy: -597.218
where: short stacking energy: -222.089
Base-Backbone interact. energy: -1.063
local terms energy: -327.938457
where:
bonds (distance) C4'-P energy: -70.064
bonds (distance) P-C4' energy: -67.031
flat angles C4'-P-C4' energy: -64.789
flat angles P-C4'-P energy: -52.043
tors. eta vs tors. theta energy: -74.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -707.425248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.425248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.425248 (E_RNA)
where:
Base-Base interactions energy: -426.844
where: short stacking energy: -210.945
Base-Backbone interact. energy: -0.805
local terms energy: -279.776349
where:
bonds (distance) C4'-P energy: -61.536
bonds (distance) P-C4' energy: -66.819
flat angles C4'-P-C4' energy: -61.825
flat angles P-C4'-P energy: -41.355
tors. eta vs tors. theta energy: -48.241
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: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -594.310243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.310243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.310243 (E_RNA)
where:
Base-Base interactions energy: -349.108
where: short stacking energy: -161.407
Base-Backbone interact. energy: -1.051
local terms energy: -244.150881
where:
bonds (distance) C4'-P energy: -57.847
bonds (distance) P-C4' energy: -63.856
flat angles C4'-P-C4' energy: -64.400
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -33.328
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: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -495.908269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.908269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.908269 (E_RNA)
where:
Base-Base interactions energy: -292.669
where: short stacking energy: -127.256
Base-Backbone interact. energy: -2.517
local terms energy: -200.722681
where:
bonds (distance) C4'-P energy: -48.538
bonds (distance) P-C4' energy: -53.296
flat angles C4'-P-C4' energy: -53.708
flat angles P-C4'-P energy: -32.799
tors. eta vs tors. theta energy: -12.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -293.726974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.726974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.726974 (E_RNA)
where:
Base-Base interactions energy: -111.081
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.590
local terms energy: -182.055930
where:
bonds (distance) C4'-P energy: -52.317
bonds (distance) P-C4' energy: -55.635
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -30.114
tors. eta vs tors. theta energy: 12.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -272.331143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.331143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.331143 (E_RNA)
where:
Base-Base interactions energy: -95.829
where: short stacking energy: -74.835
Base-Backbone interact. energy: -0.240
local terms energy: -176.262119
where:
bonds (distance) C4'-P energy: -45.777
bonds (distance) P-C4' energy: -57.010
flat angles C4'-P-C4' energy: -49.430
flat angles P-C4'-P energy: -32.458
tors. eta vs tors. theta energy: 8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1150.677172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.677172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.677172 (E_RNA)
where:
Base-Base interactions energy: -802.915
where: short stacking energy: -297.573
Base-Backbone interact. energy: -0.009
local terms energy: -347.753368
where:
bonds (distance) C4'-P energy: -68.670
bonds (distance) P-C4' energy: -73.552
flat angles C4'-P-C4' energy: -64.732
flat angles P-C4'-P energy: -48.713
tors. eta vs tors. theta energy: -92.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1078.492776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.492776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.492776 (E_RNA)
where:
Base-Base interactions energy: -726.350
where: short stacking energy: -310.922
Base-Backbone interact. energy: -0.215
local terms energy: -351.927351
where:
bonds (distance) C4'-P energy: -63.732
bonds (distance) P-C4' energy: -65.333
flat angles C4'-P-C4' energy: -73.627
flat angles P-C4'-P energy: -51.646
tors. eta vs tors. theta energy: -97.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1042.307181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.307181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.307181 (E_RNA)
where:
Base-Base interactions energy: -711.269
where: short stacking energy: -284.790
Base-Backbone interact. energy: -0.586
local terms energy: -332.541755
where:
bonds (distance) C4'-P energy: -60.847
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -68.500
flat angles P-C4'-P energy: -51.175
tors. eta vs tors. theta energy: -84.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.089 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -951.031976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.031976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.031976 (E_RNA)
where:
Base-Base interactions energy: -630.058
where: short stacking energy: -282.592
Base-Backbone interact. energy: -1.685
local terms energy: -319.289548
where:
bonds (distance) C4'-P energy: -58.856
bonds (distance) P-C4' energy: -70.150
flat angles C4'-P-C4' energy: -64.331
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -81.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -884.383237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.383237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.383237 (E_RNA)
where:
Base-Base interactions energy: -582.847
where: short stacking energy: -246.273
Base-Backbone interact. energy: -1.444
local terms energy: -300.092568
where:
bonds (distance) C4'-P energy: -57.125
bonds (distance) P-C4' energy: -67.468
flat angles C4'-P-C4' energy: -64.384
flat angles P-C4'-P energy: -43.036
tors. eta vs tors. theta energy: -68.079
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: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -669.882911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.882911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.882911 (E_RNA)
where:
Base-Base interactions energy: -403.291
where: short stacking energy: -192.418
Base-Backbone interact. energy: -0.718
local terms energy: -265.874565
where:
bonds (distance) C4'-P energy: -58.956
bonds (distance) P-C4' energy: -67.386
flat angles C4'-P-C4' energy: -67.867
flat angles P-C4'-P energy: -34.590
tors. eta vs tors. theta energy: -37.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -604.119703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.119703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.119703 (E_RNA)
where:
Base-Base interactions energy: -351.897
where: short stacking energy: -172.942
Base-Backbone interact. energy: -1.096
local terms energy: -251.126473
where:
bonds (distance) C4'-P energy: -54.289
bonds (distance) P-C4' energy: -56.329
flat angles C4'-P-C4' energy: -54.831
flat angles P-C4'-P energy: -38.541
tors. eta vs tors. theta energy: -47.136
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: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -555.712095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.712095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.712095 (E_RNA)
where:
Base-Base interactions energy: -320.088
where: short stacking energy: -133.054
Base-Backbone interact. energy: 0.727
local terms energy: -236.350449
where:
bonds (distance) C4'-P energy: -59.408
bonds (distance) P-C4' energy: -62.532
flat angles C4'-P-C4' energy: -64.458
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -304.717202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.717202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.717202 (E_RNA)
where:
Base-Base interactions energy: -105.314
where: short stacking energy: -92.485
Base-Backbone interact. energy: -3.172
local terms energy: -196.231370
where:
bonds (distance) C4'-P energy: -45.845
bonds (distance) P-C4' energy: -60.713
flat angles C4'-P-C4' energy: -47.903
flat angles P-C4'-P energy: -35.294
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -258.040024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.040024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.040024 (E_RNA)
where:
Base-Base interactions energy: -88.751
where: short stacking energy: -60.494
Base-Backbone interact. energy: 0.030
local terms energy: -169.319028
where:
bonds (distance) C4'-P energy: -62.683
bonds (distance) P-C4' energy: -68.009
flat angles C4'-P-C4' energy: -32.290
flat angles P-C4'-P energy: -26.292
tors. eta vs tors. theta energy: 19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1156.057099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.057099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.057099 (E_RNA)
where:
Base-Base interactions energy: -808.326
where: short stacking energy: -317.626
Base-Backbone interact. energy: -0.350
local terms energy: -347.381256
where:
bonds (distance) C4'-P energy: -67.320
bonds (distance) P-C4' energy: -53.616
flat angles C4'-P-C4' energy: -76.434
flat angles P-C4'-P energy: -49.879
tors. eta vs tors. theta energy: -100.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1112.467832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.467832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.467832 (E_RNA)
where:
Base-Base interactions energy: -762.386
where: short stacking energy: -329.448
Base-Backbone interact. energy: -0.479
local terms energy: -349.602525
where:
bonds (distance) C4'-P energy: -65.874
bonds (distance) P-C4' energy: -66.499
flat angles C4'-P-C4' energy: -62.873
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -103.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1058.558946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.558946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.558946 (E_RNA)
where:
Base-Base interactions energy: -731.995
where: short stacking energy: -319.410
Base-Backbone interact. energy: 1.083
local terms energy: -327.647026
where:
bonds (distance) C4'-P energy: -61.748
bonds (distance) P-C4' energy: -55.413
flat angles C4'-P-C4' energy: -72.380
flat angles P-C4'-P energy: -42.160
tors. eta vs tors. theta energy: -95.945
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: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -947.536749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.536749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.536749 (E_RNA)
where:
Base-Base interactions energy: -636.057
where: short stacking energy: -281.509
Base-Backbone interact. energy: -0.134
local terms energy: -311.345985
where:
bonds (distance) C4'-P energy: -55.361
bonds (distance) P-C4' energy: -64.835
flat angles C4'-P-C4' energy: -69.466
flat angles P-C4'-P energy: -43.540
tors. eta vs tors. theta energy: -78.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -839.998602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.998602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.998602 (E_RNA)
where:
Base-Base interactions energy: -542.767
where: short stacking energy: -234.016
Base-Backbone interact. energy: -2.580
local terms energy: -294.651837
where:
bonds (distance) C4'-P energy: -60.999
bonds (distance) P-C4' energy: -62.643
flat angles C4'-P-C4' energy: -68.429
flat angles P-C4'-P energy: -40.172
tors. eta vs tors. theta energy: -62.408
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: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -657.066151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.066151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.066151 (E_RNA)
where:
Base-Base interactions energy: -416.944
where: short stacking energy: -197.613
Base-Backbone interact. energy: -0.657
local terms energy: -239.464819
where:
bonds (distance) C4'-P energy: -56.380
bonds (distance) P-C4' energy: -59.031
flat angles C4'-P-C4' energy: -52.425
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -44.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -585.531736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.531736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.531736 (E_RNA)
where:
Base-Base interactions energy: -349.888
where: short stacking energy: -169.981
Base-Backbone interact. energy: -0.269
local terms energy: -235.374264
where:
bonds (distance) C4'-P energy: -50.321
bonds (distance) P-C4' energy: -56.885
flat angles C4'-P-C4' energy: -66.494
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -511.089509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.089509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.089509 (E_RNA)
where:
Base-Base interactions energy: -292.687
where: short stacking energy: -140.617
Base-Backbone interact. energy: -1.668
local terms energy: -216.733912
where:
bonds (distance) C4'-P energy: -51.648
bonds (distance) P-C4' energy: -60.041
flat angles C4'-P-C4' energy: -54.743
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -290.105093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.105093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.105093 (E_RNA)
where:
Base-Base interactions energy: -110.110
where: short stacking energy: -91.588
Base-Backbone interact. energy: 1.876
local terms energy: -181.871869
where:
bonds (distance) C4'-P energy: -57.931
bonds (distance) P-C4' energy: -56.526
flat angles C4'-P-C4' energy: -39.038
flat angles P-C4'-P energy: -26.320
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -293.945391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.945391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.945391 (E_RNA)
where:
Base-Base interactions energy: -86.855
where: short stacking energy: -81.070
Base-Backbone interact. energy: -0.608
local terms energy: -206.481660
where:
bonds (distance) C4'-P energy: -55.338
bonds (distance) P-C4' energy: -50.688
flat angles C4'-P-C4' energy: -62.034
flat angles P-C4'-P energy: -36.216
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1147.389490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.389490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.389490 (E_RNA)
where:
Base-Base interactions energy: -783.190
where: short stacking energy: -323.213
Base-Backbone interact. energy: 2.113
local terms energy: -366.311873
where:
bonds (distance) C4'-P energy: -74.055
bonds (distance) P-C4' energy: -69.940
flat angles C4'-P-C4' energy: -70.071
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: -92.935
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: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1089.321235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.321235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.321235 (E_RNA)
where:
Base-Base interactions energy: -740.024
where: short stacking energy: -308.938
Base-Backbone interact. energy: -0.577
local terms energy: -350.464738
where:
bonds (distance) C4'-P energy: -62.251
bonds (distance) P-C4' energy: -60.738
flat angles C4'-P-C4' energy: -78.048
flat angles P-C4'-P energy: -48.621
tors. eta vs tors. theta energy: -100.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.744 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1014.186305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.186305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.186305 (E_RNA)
where:
Base-Base interactions energy: -707.002
where: short stacking energy: -302.407
Base-Backbone interact. energy: -0.269
local terms energy: -306.915997
where:
bonds (distance) C4'-P energy: -52.878
bonds (distance) P-C4' energy: -56.352
flat angles C4'-P-C4' energy: -62.532
flat angles P-C4'-P energy: -45.195
tors. eta vs tors. theta energy: -89.958
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: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -937.097692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.097692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.097692 (E_RNA)
where:
Base-Base interactions energy: -620.811
where: short stacking energy: -273.161
Base-Backbone interact. energy: 0.365
local terms energy: -316.651437
where:
bonds (distance) C4'-P energy: -55.011
bonds (distance) P-C4' energy: -64.327
flat angles C4'-P-C4' energy: -65.364
flat angles P-C4'-P energy: -52.686
tors. eta vs tors. theta energy: -79.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -841.619406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.619406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.619406 (E_RNA)
where:
Base-Base interactions energy: -554.253
where: short stacking energy: -249.557
Base-Backbone interact. energy: -0.863
local terms energy: -286.571957
where:
bonds (distance) C4'-P energy: -58.673
bonds (distance) P-C4' energy: -66.997
flat angles C4'-P-C4' energy: -57.695
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: -68.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.069 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -685.281574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.281574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.281574 (E_RNA)
where:
Base-Base interactions energy: -413.969
where: short stacking energy: -186.197
Base-Backbone interact. energy: -0.686
local terms energy: -270.626114
where:
bonds (distance) C4'-P energy: -61.317
bonds (distance) P-C4' energy: -66.389
flat angles C4'-P-C4' energy: -72.501
flat angles P-C4'-P energy: -42.133
tors. eta vs tors. theta energy: -28.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -613.306166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.306166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.306166 (E_RNA)
where:
Base-Base interactions energy: -368.581
where: short stacking energy: -195.954
Base-Backbone interact. energy: -1.743
local terms energy: -242.982360
where:
bonds (distance) C4'-P energy: -63.453
bonds (distance) P-C4' energy: -65.528
flat angles C4'-P-C4' energy: -56.019
flat angles P-C4'-P energy: -21.896
tors. eta vs tors. theta energy: -36.086
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: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -571.880075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.880075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.880075 (E_RNA)
where:
Base-Base interactions energy: -333.228
where: short stacking energy: -169.159
Base-Backbone interact. energy: -1.460
local terms energy: -237.191802
where:
bonds (distance) C4'-P energy: -56.512
bonds (distance) P-C4' energy: -58.166
flat angles C4'-P-C4' energy: -55.701
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -303.975796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.975796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.975796 (E_RNA)
where:
Base-Base interactions energy: -114.000
where: short stacking energy: -86.962
Base-Backbone interact. energy: 2.484
local terms energy: -192.459724
where:
bonds (distance) C4'-P energy: -58.208
bonds (distance) P-C4' energy: -58.852
flat angles C4'-P-C4' energy: -45.299
flat angles P-C4'-P energy: -28.379
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: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -283.837086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.837086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.837086 (E_RNA)
where:
Base-Base interactions energy: -98.452
where: short stacking energy: -85.714
Base-Backbone interact. energy: 4.691
local terms energy: -190.076533
where:
bonds (distance) C4'-P energy: -55.425
bonds (distance) P-C4' energy: -63.347
flat angles C4'-P-C4' energy: -41.501
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1155.013250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.013250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.013250 (E_RNA)
where:
Base-Base interactions energy: -793.605
where: short stacking energy: -325.717
Base-Backbone interact. energy: -1.521
local terms energy: -359.887115
where:
bonds (distance) C4'-P energy: -64.835
bonds (distance) P-C4' energy: -74.896
flat angles C4'-P-C4' energy: -70.119
flat angles P-C4'-P energy: -51.546
tors. eta vs tors. theta energy: -98.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1098.893326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.893326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.893326 (E_RNA)
where:
Base-Base interactions energy: -749.024
where: short stacking energy: -314.662
Base-Backbone interact. energy: -0.941
local terms energy: -348.928627
where:
bonds (distance) C4'-P energy: -69.571
bonds (distance) P-C4' energy: -61.025
flat angles C4'-P-C4' energy: -74.228
flat angles P-C4'-P energy: -46.491
tors. eta vs tors. theta energy: -97.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1037.010853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.010853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.010853 (E_RNA)
where:
Base-Base interactions energy: -715.550
where: short stacking energy: -296.670
Base-Backbone interact. energy: 0.043
local terms energy: -321.504493
where:
bonds (distance) C4'-P energy: -58.131
bonds (distance) P-C4' energy: -58.601
flat angles C4'-P-C4' energy: -71.899
flat angles P-C4'-P energy: -45.386
tors. eta vs tors. theta energy: -87.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -963.169197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.169197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.169197 (E_RNA)
where:
Base-Base interactions energy: -640.336
where: short stacking energy: -274.476
Base-Backbone interact. energy: -0.617
local terms energy: -322.215449
where:
bonds (distance) C4'-P energy: -52.626
bonds (distance) P-C4' energy: -68.931
flat angles C4'-P-C4' energy: -76.043
flat angles P-C4'-P energy: -41.025
tors. eta vs tors. theta energy: -83.591
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: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -787.066282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.066282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.066282 (E_RNA)
where:
Base-Base interactions energy: -509.820
where: short stacking energy: -216.644
Base-Backbone interact. energy: -0.906
local terms energy: -276.340722
where:
bonds (distance) C4'-P energy: -48.894
bonds (distance) P-C4' energy: -50.222
flat angles C4'-P-C4' energy: -73.125
flat angles P-C4'-P energy: -43.547
tors. eta vs tors. theta energy: -60.554
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: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -670.881746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.881746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.881746 (E_RNA)
where:
Base-Base interactions energy: -411.664
where: short stacking energy: -211.160
Base-Backbone interact. energy: 0.401
local terms energy: -259.618811
where:
bonds (distance) C4'-P energy: -67.638
bonds (distance) P-C4' energy: -61.982
flat angles C4'-P-C4' energy: -49.132
flat angles P-C4'-P energy: -36.782
tors. eta vs tors. theta energy: -44.084
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: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -606.158312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.158312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.158312 (E_RNA)
where:
Base-Base interactions energy: -358.782
where: short stacking energy: -159.254
Base-Backbone interact. energy: -0.908
local terms energy: -246.468495
where:
bonds (distance) C4'-P energy: -61.729
bonds (distance) P-C4' energy: -70.646
flat angles C4'-P-C4' energy: -49.081
flat angles P-C4'-P energy: -38.953
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: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -542.023319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.023319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.023319 (E_RNA)
where:
Base-Base interactions energy: -325.285
where: short stacking energy: -141.227
Base-Backbone interact. energy: -2.040
local terms energy: -214.698627
where:
bonds (distance) C4'-P energy: -62.154
bonds (distance) P-C4' energy: -54.985
flat angles C4'-P-C4' energy: -49.566
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -27.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -300.192327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.192327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.192327 (E_RNA)
where:
Base-Base interactions energy: -100.709
where: short stacking energy: -76.364
Base-Backbone interact. energy: 0.488
local terms energy: -199.971375
where:
bonds (distance) C4'-P energy: -61.427
bonds (distance) P-C4' energy: -65.241
flat angles C4'-P-C4' energy: -32.343
flat angles P-C4'-P energy: -40.428
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: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -262.669925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.669925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.669925 (E_RNA)
where:
Base-Base interactions energy: -83.419
where: short stacking energy: -64.164
Base-Backbone interact. energy: -0.762
local terms energy: -178.488778
where:
bonds (distance) C4'-P energy: -55.605
bonds (distance) P-C4' energy: -58.432
flat angles C4'-P-C4' energy: -50.039
flat angles P-C4'-P energy: -30.450
tors. eta vs tors. theta energy: 16.038
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: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1147.345597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.345597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.345597 (E_RNA)
where:
Base-Base interactions energy: -813.408
where: short stacking energy: -321.638
Base-Backbone interact. energy: -0.579
local terms energy: -333.358142
where:
bonds (distance) C4'-P energy: -73.055
bonds (distance) P-C4' energy: -58.454
flat angles C4'-P-C4' energy: -64.380
flat angles P-C4'-P energy: -46.065
tors. eta vs tors. theta energy: -91.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1096.310136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.310136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.310136 (E_RNA)
where:
Base-Base interactions energy: -727.804
where: short stacking energy: -319.980
Base-Backbone interact. energy: -0.813
local terms energy: -367.693459
where:
bonds (distance) C4'-P energy: -76.464
bonds (distance) P-C4' energy: -62.576
flat angles C4'-P-C4' energy: -80.185
flat angles P-C4'-P energy: -47.697
tors. eta vs tors. theta energy: -100.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1045.211095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.211095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.211095 (E_RNA)
where:
Base-Base interactions energy: -701.822
where: short stacking energy: -289.535
Base-Backbone interact. energy: -0.600
local terms energy: -342.788566
where:
bonds (distance) C4'-P energy: -75.572
bonds (distance) P-C4' energy: -64.815
flat angles C4'-P-C4' energy: -67.942
flat angles P-C4'-P energy: -51.176
tors. eta vs tors. theta energy: -83.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -939.639439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.639439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.639439 (E_RNA)
where:
Base-Base interactions energy: -649.507
where: short stacking energy: -260.763
Base-Backbone interact. energy: -0.072
local terms energy: -290.060307
where:
bonds (distance) C4'-P energy: -54.503
bonds (distance) P-C4' energy: -58.045
flat angles C4'-P-C4' energy: -71.037
flat angles P-C4'-P energy: -33.783
tors. eta vs tors. theta energy: -72.693
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: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -804.072217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.072217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.072217 (E_RNA)
where:
Base-Base interactions energy: -511.726
where: short stacking energy: -228.426
Base-Backbone interact. energy: 2.514
local terms energy: -295.174758
where:
bonds (distance) C4'-P energy: -63.462
bonds (distance) P-C4' energy: -58.710
flat angles C4'-P-C4' energy: -61.324
flat angles P-C4'-P energy: -46.729
tors. eta vs tors. theta energy: -64.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.315 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -675.336936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.336936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.336936 (E_RNA)
where:
Base-Base interactions energy: -398.098
where: short stacking energy: -196.402
Base-Backbone interact. energy: -1.151
local terms energy: -278.956621
where:
bonds (distance) C4'-P energy: -62.307
bonds (distance) P-C4' energy: -64.077
flat angles C4'-P-C4' energy: -65.394
flat angles P-C4'-P energy: -38.521
tors. eta vs tors. theta energy: -48.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.869 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -656.880013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.880013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.880013 (E_RNA)
where:
Base-Base interactions energy: -406.501
where: short stacking energy: -172.718
Base-Backbone interact. energy: 0.632
local terms energy: -251.010635
where:
bonds (distance) C4'-P energy: -61.303
bonds (distance) P-C4' energy: -62.956
flat angles C4'-P-C4' energy: -52.031
flat angles P-C4'-P energy: -39.879
tors. eta vs tors. theta energy: -34.842
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: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -528.084461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.084461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.084461 (E_RNA)
where:
Base-Base interactions energy: -295.429
where: short stacking energy: -139.044
Base-Backbone interact. energy: -1.995
local terms energy: -230.661017
where:
bonds (distance) C4'-P energy: -45.145
bonds (distance) P-C4' energy: -62.721
flat angles C4'-P-C4' energy: -59.151
flat angles P-C4'-P energy: -37.125
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: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -298.158216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.158216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.158216 (E_RNA)
where:
Base-Base interactions energy: -103.669
where: short stacking energy: -79.043
Base-Backbone interact. energy: 2.268
local terms energy: -196.756658
where:
bonds (distance) C4'-P energy: -55.137
bonds (distance) P-C4' energy: -52.886
flat angles C4'-P-C4' energy: -63.086
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -278.066616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.066616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.066616 (E_RNA)
where:
Base-Base interactions energy: -113.699
where: short stacking energy: -86.112
Base-Backbone interact. energy: -0.918
local terms energy: -163.449398
where:
bonds (distance) C4'-P energy: -48.270
bonds (distance) P-C4' energy: -53.396
flat angles C4'-P-C4' energy: -45.335
flat angles P-C4'-P energy: -21.833
tors. eta vs tors. theta energy: 5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1128.532363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.532363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.532363 (E_RNA)
where:
Base-Base interactions energy: -766.212
where: short stacking energy: -323.808
Base-Backbone interact. energy: 0.727
local terms energy: -363.047778
where:
bonds (distance) C4'-P energy: -65.363
bonds (distance) P-C4' energy: -75.113
flat angles C4'-P-C4' energy: -69.118
flat angles P-C4'-P energy: -51.851
tors. eta vs tors. theta energy: -101.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1082.661475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.661475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.661475 (E_RNA)
where:
Base-Base interactions energy: -731.073
where: short stacking energy: -321.877
Base-Backbone interact. energy: -0.626
local terms energy: -350.962057
where:
bonds (distance) C4'-P energy: -55.929
bonds (distance) P-C4' energy: -63.858
flat angles C4'-P-C4' energy: -77.685
flat angles P-C4'-P energy: -50.057
tors. eta vs tors. theta energy: -103.433
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: 374
Temperature: 1.000000
Total energy: -1004.567413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.567413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.567413 (E_RNA)
where:
Base-Base interactions energy: -669.747
where: short stacking energy: -287.224
Base-Backbone interact. energy: -0.417
local terms energy: -334.403512
where:
bonds (distance) C4'-P energy: -72.395
bonds (distance) P-C4' energy: -55.968
flat angles C4'-P-C4' energy: -77.066
flat angles P-C4'-P energy: -46.195
tors. eta vs tors. theta energy: -82.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -942.441590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.441590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.441590 (E_RNA)
where:
Base-Base interactions energy: -646.312
where: short stacking energy: -257.729
Base-Backbone interact. energy: -3.848
local terms energy: -292.391622
where:
bonds (distance) C4'-P energy: -58.063
bonds (distance) P-C4' energy: -58.402
flat angles C4'-P-C4' energy: -60.716
flat angles P-C4'-P energy: -40.126
tors. eta vs tors. theta energy: -75.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.111 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -795.280661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.280661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.280661 (E_RNA)
where:
Base-Base interactions energy: -491.072
where: short stacking energy: -233.703
Base-Backbone interact. energy: -0.771
local terms energy: -303.437650
where:
bonds (distance) C4'-P energy: -56.414
bonds (distance) P-C4' energy: -73.814
flat angles C4'-P-C4' energy: -61.694
flat angles P-C4'-P energy: -43.055
tors. eta vs tors. theta energy: -68.461
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: 374
Temperature: 1.150000
Total energy: -716.172251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.172251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.172251 (E_RNA)
where:
Base-Base interactions energy: -452.956
where: short stacking energy: -201.280
Base-Backbone interact. energy: -2.345
local terms energy: -260.871398
where:
bonds (distance) C4'-P energy: -61.917
bonds (distance) P-C4' energy: -58.918
flat angles C4'-P-C4' energy: -57.593
flat angles P-C4'-P energy: -25.982
tors. eta vs tors. theta energy: -56.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -701.690049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.690049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.690049 (E_RNA)
where:
Base-Base interactions energy: -456.888
where: short stacking energy: -219.370
Base-Backbone interact. energy: -0.395
local terms energy: -244.406984
where:
bonds (distance) C4'-P energy: -50.359
bonds (distance) P-C4' energy: -51.018
flat angles C4'-P-C4' energy: -67.667
flat angles P-C4'-P energy: -29.222
tors. eta vs tors. theta energy: -46.142
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: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -529.471530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.471530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.471530 (E_RNA)
where:
Base-Base interactions energy: -302.757
where: short stacking energy: -138.896
Base-Backbone interact. energy: -1.648
local terms energy: -225.067007
where:
bonds (distance) C4'-P energy: -45.486
bonds (distance) P-C4' energy: -64.979
flat angles C4'-P-C4' energy: -56.276
flat angles P-C4'-P energy: -37.963
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -305.772879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.772879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.772879 (E_RNA)
where:
Base-Base interactions energy: -102.335
where: short stacking energy: -74.003
Base-Backbone interact. energy: 4.455
local terms energy: -207.892611
where:
bonds (distance) C4'-P energy: -48.850
bonds (distance) P-C4' energy: -64.003
flat angles C4'-P-C4' energy: -59.175
flat angles P-C4'-P energy: -41.645
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: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -267.082124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.082124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.082124 (E_RNA)
where:
Base-Base interactions energy: -95.600
where: short stacking energy: -74.974
Base-Backbone interact. energy: 2.015
local terms energy: -173.496594
where:
bonds (distance) C4'-P energy: -53.005
bonds (distance) P-C4' energy: -66.504
flat angles C4'-P-C4' energy: -45.069
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: 6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1154.896595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.896595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.896595 (E_RNA)
where:
Base-Base interactions energy: -805.961
where: short stacking energy: -321.509
Base-Backbone interact. energy: 1.287
local terms energy: -350.223375
where:
bonds (distance) C4'-P energy: -59.799
bonds (distance) P-C4' energy: -69.173
flat angles C4'-P-C4' energy: -76.522
flat angles P-C4'-P energy: -49.741
tors. eta vs tors. theta energy: -94.989
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: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1063.503839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.503839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.503839 (E_RNA)
where:
Base-Base interactions energy: -702.511
where: short stacking energy: -322.954
Base-Backbone interact. energy: 0.627
local terms energy: -361.619145
where:
bonds (distance) C4'-P energy: -65.863
bonds (distance) P-C4' energy: -68.942
flat angles C4'-P-C4' energy: -75.620
flat angles P-C4'-P energy: -52.859
tors. eta vs tors. theta energy: -98.336
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: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1050.923642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.923642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.923642 (E_RNA)
where:
Base-Base interactions energy: -707.463
where: short stacking energy: -316.005
Base-Backbone interact. energy: -0.725
local terms energy: -343.449785
where:
bonds (distance) C4'-P energy: -67.939
bonds (distance) P-C4' energy: -57.281
flat angles C4'-P-C4' energy: -71.958
flat angles P-C4'-P energy: -46.765
tors. eta vs tors. theta energy: -99.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.714 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -957.893733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.893733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.893733 (E_RNA)
where:
Base-Base interactions energy: -636.846
where: short stacking energy: -269.271
Base-Backbone interact. energy: 0.720
local terms energy: -321.767992
where:
bonds (distance) C4'-P energy: -63.320
bonds (distance) P-C4' energy: -57.889
flat angles C4'-P-C4' energy: -65.375
flat angles P-C4'-P energy: -52.284
tors. eta vs tors. theta energy: -82.899
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: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -803.944574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.944574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.944574 (E_RNA)
where:
Base-Base interactions energy: -502.172
where: short stacking energy: -227.639
Base-Backbone interact. energy: -1.349
local terms energy: -300.423332
where:
bonds (distance) C4'-P energy: -58.207
bonds (distance) P-C4' energy: -64.975
flat angles C4'-P-C4' energy: -65.349
flat angles P-C4'-P energy: -45.337
tors. eta vs tors. theta energy: -66.555
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: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -738.628776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.628776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.628776 (E_RNA)
where:
Base-Base interactions energy: -462.290
where: short stacking energy: -204.779
Base-Backbone interact. energy: -3.381
local terms energy: -272.957942
where:
bonds (distance) C4'-P energy: -64.571
bonds (distance) P-C4' energy: -60.326
flat angles C4'-P-C4' energy: -59.907
flat angles P-C4'-P energy: -36.092
tors. eta vs tors. theta energy: -52.062
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: 10
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -621.653864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.653864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.653864 (E_RNA)
where:
Base-Base interactions energy: -379.716
where: short stacking energy: -165.251
Base-Backbone interact. energy: -0.039
local terms energy: -241.898318
where:
bonds (distance) C4'-P energy: -55.035
bonds (distance) P-C4' energy: -57.386
flat angles C4'-P-C4' energy: -59.164
flat angles P-C4'-P energy: -34.071
tors. eta vs tors. theta energy: -36.243
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: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -518.988048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.988048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.988048 (E_RNA)
where:
Base-Base interactions energy: -309.919
where: short stacking energy: -145.237
Base-Backbone interact. energy: 0.854
local terms energy: -209.922178
where:
bonds (distance) C4'-P energy: -50.741
bonds (distance) P-C4' energy: -61.901
flat angles C4'-P-C4' energy: -50.828
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: -16.320
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: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -291.185031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.185031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.185031 (E_RNA)
where:
Base-Base interactions energy: -103.845
where: short stacking energy: -93.880
Base-Backbone interact. energy: 0.644
local terms energy: -187.984919
where:
bonds (distance) C4'-P energy: -75.548
bonds (distance) P-C4' energy: -48.764
flat angles C4'-P-C4' energy: -54.507
flat angles P-C4'-P energy: -18.595
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: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -259.619542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.619542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.619542 (E_RNA)
where:
Base-Base interactions energy: -87.300
where: short stacking energy: -70.487
Base-Backbone interact. energy: -0.063
local terms energy: -172.256498
where:
bonds (distance) C4'-P energy: -49.053
bonds (distance) P-C4' energy: -69.454
flat angles C4'-P-C4' energy: -43.771
flat angles P-C4'-P energy: -21.137
tors. eta vs tors. theta energy: 11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1164.573326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.573326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.573326 (E_RNA)
where:
Base-Base interactions energy: -804.240
where: short stacking energy: -325.697
Base-Backbone interact. energy: -0.847
local terms energy: -359.486429
where:
bonds (distance) C4'-P energy: -63.756
bonds (distance) P-C4' energy: -65.220
flat angles C4'-P-C4' energy: -72.087
flat angles P-C4'-P energy: -56.727
tors. eta vs tors. theta energy: -101.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1102.684437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.684437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.684437 (E_RNA)
where:
Base-Base interactions energy: -752.425
where: short stacking energy: -303.226
Base-Backbone interact. energy: 0.149
local terms energy: -350.408422
where:
bonds (distance) C4'-P energy: -61.472
bonds (distance) P-C4' energy: -65.791
flat angles C4'-P-C4' energy: -77.340
flat angles P-C4'-P energy: -54.822
tors. eta vs tors. theta energy: -90.983
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: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1032.090510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.090510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.090510 (E_RNA)
where:
Base-Base interactions energy: -707.213
where: short stacking energy: -301.481
Base-Backbone interact. energy: 3.640
local terms energy: -328.517879
where:
bonds (distance) C4'-P energy: -65.135
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -65.829
flat angles P-C4'-P energy: -45.375
tors. eta vs tors. theta energy: -91.300
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: 376
Temperature: 1.050000
Total energy: -936.228493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.228493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.228493 (E_RNA)
where:
Base-Base interactions energy: -610.530
where: short stacking energy: -259.518
Base-Backbone interact. energy: -0.501
local terms energy: -325.197607
where:
bonds (distance) C4'-P energy: -58.685
bonds (distance) P-C4' energy: -75.728
flat angles C4'-P-C4' energy: -67.293
flat angles P-C4'-P energy: -45.512
tors. eta vs tors. theta energy: -77.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -828.210326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.210326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.210326 (E_RNA)
where:
Base-Base interactions energy: -513.482
where: short stacking energy: -234.615
Base-Backbone interact. energy: -1.379
local terms energy: -313.349095
where:
bonds (distance) C4'-P energy: -64.531
bonds (distance) P-C4' energy: -72.491
flat angles C4'-P-C4' energy: -67.954
flat angles P-C4'-P energy: -45.253
tors. eta vs tors. theta energy: -63.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -710.954004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.954004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.954004 (E_RNA)
where:
Base-Base interactions energy: -440.537
where: short stacking energy: -211.228
Base-Backbone interact. energy: 0.063
local terms energy: -270.480519
where:
bonds (distance) C4'-P energy: -62.588
bonds (distance) P-C4' energy: -56.597
flat angles C4'-P-C4' energy: -64.393
flat angles P-C4'-P energy: -36.294
tors. eta vs tors. theta energy: -50.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -619.437063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.437063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.437063 (E_RNA)
where:
Base-Base interactions energy: -360.846
where: short stacking energy: -162.874
Base-Backbone interact. energy: -2.705
local terms energy: -255.885618
where:
bonds (distance) C4'-P energy: -63.171
bonds (distance) P-C4' energy: -61.837
flat angles C4'-P-C4' energy: -51.383
flat angles P-C4'-P energy: -44.242
tors. eta vs tors. theta energy: -35.253
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: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -545.670331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.670331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.670331 (E_RNA)
where:
Base-Base interactions energy: -306.819
where: short stacking energy: -135.313
Base-Backbone interact. energy: -0.054
local terms energy: -238.796919
where:
bonds (distance) C4'-P energy: -54.645
bonds (distance) P-C4' energy: -62.854
flat angles C4'-P-C4' energy: -52.039
flat angles P-C4'-P energy: -41.256
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: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -293.552484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.552484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.552484 (E_RNA)
where:
Base-Base interactions energy: -93.850
where: short stacking energy: -79.045
Base-Backbone interact. energy: -0.058
local terms energy: -199.644664
where:
bonds (distance) C4'-P energy: -47.182
bonds (distance) P-C4' energy: -64.294
flat angles C4'-P-C4' energy: -50.019
flat angles P-C4'-P energy: -37.186
tors. eta vs tors. theta energy: -0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -263.340149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.340149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.340149 (E_RNA)
where:
Base-Base interactions energy: -73.173
where: short stacking energy: -66.568
Base-Backbone interact. energy: 2.410
local terms energy: -192.577489
where:
bonds (distance) C4'-P energy: -63.371
bonds (distance) P-C4' energy: -49.524
flat angles C4'-P-C4' energy: -55.066
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: 7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1158.209997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.209997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.209997 (E_RNA)
where:
Base-Base interactions energy: -817.029
where: short stacking energy: -305.858
Base-Backbone interact. energy: -0.768
local terms energy: -340.412428
where:
bonds (distance) C4'-P energy: -58.843
bonds (distance) P-C4' energy: -68.897
flat angles C4'-P-C4' energy: -70.162
flat angles P-C4'-P energy: -50.056
tors. eta vs tors. theta energy: -92.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1085.675675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.675675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.675675 (E_RNA)
where:
Base-Base interactions energy: -748.617
where: short stacking energy: -300.307
Base-Backbone interact. energy: -0.314
local terms energy: -336.744897
where:
bonds (distance) C4'-P energy: -59.737
bonds (distance) P-C4' energy: -67.551
flat angles C4'-P-C4' energy: -71.119
flat angles P-C4'-P energy: -48.310
tors. eta vs tors. theta energy: -90.028
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: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1019.783508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.783508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.783508 (E_RNA)
where:
Base-Base interactions energy: -705.408
where: short stacking energy: -291.279
Base-Backbone interact. energy: -0.207
local terms energy: -314.168180
where:
bonds (distance) C4'-P energy: -56.342
bonds (distance) P-C4' energy: -55.797
flat angles C4'-P-C4' energy: -76.022
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -88.513
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: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -956.448539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.448539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.448539 (E_RNA)
where:
Base-Base interactions energy: -641.820
where: short stacking energy: -268.585
Base-Backbone interact. energy: -0.033
local terms energy: -314.596331
where:
bonds (distance) C4'-P energy: -63.042
bonds (distance) P-C4' energy: -58.664
flat angles C4'-P-C4' energy: -68.112
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -81.884
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: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -779.211240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.211240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.211240 (E_RNA)
where:
Base-Base interactions energy: -519.766
where: short stacking energy: -217.323
Base-Backbone interact. energy: -0.705
local terms energy: -258.741083
where:
bonds (distance) C4'-P energy: -44.172
bonds (distance) P-C4' energy: -64.392
flat angles C4'-P-C4' energy: -69.229
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -42.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -754.432255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.432255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.432255 (E_RNA)
where:
Base-Base interactions energy: -460.291
where: short stacking energy: -215.421
Base-Backbone interact. energy: -0.798
local terms energy: -293.342990
where:
bonds (distance) C4'-P energy: -68.134
bonds (distance) P-C4' energy: -69.158
flat angles C4'-P-C4' energy: -61.054
flat angles P-C4'-P energy: -39.077
tors. eta vs tors. theta energy: -55.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -609.080404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.080404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.080404 (E_RNA)
where:
Base-Base interactions energy: -368.343
where: short stacking energy: -194.152
Base-Backbone interact. energy: -0.623
local terms energy: -240.114195
where:
bonds (distance) C4'-P energy: -43.291
bonds (distance) P-C4' energy: -66.837
flat angles C4'-P-C4' energy: -52.949
flat angles P-C4'-P energy: -38.621
tors. eta vs tors. theta energy: -38.416
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: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -550.758385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.758385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.758385 (E_RNA)
where:
Base-Base interactions energy: -308.470
where: short stacking energy: -143.775
Base-Backbone interact. energy: -0.201
local terms energy: -242.086915
where:
bonds (distance) C4'-P energy: -59.183
bonds (distance) P-C4' energy: -57.813
flat angles C4'-P-C4' energy: -61.452
flat angles P-C4'-P energy: -31.637
tors. eta vs tors. theta energy: -32.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -287.351711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.351711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.351711 (E_RNA)
where:
Base-Base interactions energy: -93.458
where: short stacking energy: -77.372
Base-Backbone interact. energy: -1.316
local terms energy: -192.577475
where:
bonds (distance) C4'-P energy: -55.503
bonds (distance) P-C4' energy: -62.182
flat angles C4'-P-C4' energy: -50.328
flat angles P-C4'-P energy: -36.922
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: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -274.249375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.249375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.249375 (E_RNA)
where:
Base-Base interactions energy: -88.515
where: short stacking energy: -66.127
Base-Backbone interact. energy: -0.020
local terms energy: -186.731110
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -59.616
flat angles C4'-P-C4' energy: -61.779
flat angles P-C4'-P energy: -19.136
tors. eta vs tors. theta energy: 5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.017 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1137.024393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.024393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.024393 (E_RNA)
where:
Base-Base interactions energy: -779.384
where: short stacking energy: -316.728
Base-Backbone interact. energy: 2.811
local terms energy: -360.451320
where:
bonds (distance) C4'-P energy: -68.943
bonds (distance) P-C4' energy: -67.757
flat angles C4'-P-C4' energy: -72.140
flat angles P-C4'-P energy: -48.042
tors. eta vs tors. theta energy: -103.569
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: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1130.476094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.476094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.476094 (E_RNA)
where:
Base-Base interactions energy: -774.179
where: short stacking energy: -322.847
Base-Backbone interact. energy: -0.341
local terms energy: -355.956561
where:
bonds (distance) C4'-P energy: -63.530
bonds (distance) P-C4' energy: -63.585
flat angles C4'-P-C4' energy: -81.605
flat angles P-C4'-P energy: -51.627
tors. eta vs tors. theta energy: -95.610
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: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -964.213163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.213163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.213163 (E_RNA)
where:
Base-Base interactions energy: -659.265
where: short stacking energy: -284.483
Base-Backbone interact. energy: 0.039
local terms energy: -304.986842
where:
bonds (distance) C4'-P energy: -57.331
bonds (distance) P-C4' energy: -56.507
flat angles C4'-P-C4' energy: -61.306
flat angles P-C4'-P energy: -46.845
tors. eta vs tors. theta energy: -82.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1003.419323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.419323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.419323 (E_RNA)
where:
Base-Base interactions energy: -683.831
where: short stacking energy: -288.837
Base-Backbone interact. energy: 0.264
local terms energy: -319.853065
where:
bonds (distance) C4'-P energy: -55.791
bonds (distance) P-C4' energy: -61.649
flat angles C4'-P-C4' energy: -71.935
flat angles P-C4'-P energy: -38.764
tors. eta vs tors. theta energy: -91.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -773.889617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.889617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.889617 (E_RNA)
where:
Base-Base interactions energy: -492.427
where: short stacking energy: -223.388
Base-Backbone interact. energy: -0.597
local terms energy: -280.865487
where:
bonds (distance) C4'-P energy: -72.874
bonds (distance) P-C4' energy: -58.205
flat angles C4'-P-C4' energy: -57.076
flat angles P-C4'-P energy: -41.580
tors. eta vs tors. theta energy: -51.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -774.984961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.984961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.984961 (E_RNA)
where:
Base-Base interactions energy: -480.838
where: short stacking energy: -200.214
Base-Backbone interact. energy: 1.986
local terms energy: -296.132876
where:
bonds (distance) C4'-P energy: -65.871
bonds (distance) P-C4' energy: -59.565
flat angles C4'-P-C4' energy: -56.537
flat angles P-C4'-P energy: -52.619
tors. eta vs tors. theta energy: -61.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -637.554875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.554875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.554875 (E_RNA)
where:
Base-Base interactions energy: -377.915
where: short stacking energy: -187.054
Base-Backbone interact. energy: -1.433
local terms energy: -258.774086
where:
bonds (distance) C4'-P energy: -58.590
bonds (distance) P-C4' energy: -59.333
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -45.141
tors. eta vs tors. theta energy: -48.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.567 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -543.963482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.963482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.963482 (E_RNA)
where:
Base-Base interactions energy: -315.569
where: short stacking energy: -155.876
Base-Backbone interact. energy: 3.256
local terms energy: -231.650863
where:
bonds (distance) C4'-P energy: -56.738
bonds (distance) P-C4' energy: -67.256
flat angles C4'-P-C4' energy: -55.596
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -29.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -287.531369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.531369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.531369 (E_RNA)
where:
Base-Base interactions energy: -105.749
where: short stacking energy: -89.363
Base-Backbone interact. energy: 1.106
local terms energy: -182.888357
where:
bonds (distance) C4'-P energy: -50.623
bonds (distance) P-C4' energy: -50.711
flat angles C4'-P-C4' energy: -44.587
flat angles P-C4'-P energy: -33.032
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -284.109351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.109351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.109351 (E_RNA)
where:
Base-Base interactions energy: -94.131
where: short stacking energy: -73.029
Base-Backbone interact. energy: 1.128
local terms energy: -191.106274
where:
bonds (distance) C4'-P energy: -55.473
bonds (distance) P-C4' energy: -55.930
flat angles C4'-P-C4' energy: -42.288
flat angles P-C4'-P energy: -41.814
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: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1168.659740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.659740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.659740 (E_RNA)
where:
Base-Base interactions energy: -826.859
where: short stacking energy: -318.360
Base-Backbone interact. energy: -0.727
local terms energy: -341.074431
where:
bonds (distance) C4'-P energy: -54.541
bonds (distance) P-C4' energy: -67.600
flat angles C4'-P-C4' energy: -64.898
flat angles P-C4'-P energy: -50.252
tors. eta vs tors. theta energy: -103.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1105.991212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.991212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.991212 (E_RNA)
where:
Base-Base interactions energy: -761.892
where: short stacking energy: -320.223
Base-Backbone interact. energy: -1.699
local terms energy: -343.208556
where:
bonds (distance) C4'-P energy: -65.594
bonds (distance) P-C4' energy: -69.143
flat angles C4'-P-C4' energy: -70.268
flat angles P-C4'-P energy: -40.369
tors. eta vs tors. theta energy: -97.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.808 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -970.394300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.394300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.394300 (E_RNA)
where:
Base-Base interactions energy: -660.142
where: short stacking energy: -276.333
Base-Backbone interact. energy: -0.317
local terms energy: -309.934792
where:
bonds (distance) C4'-P energy: -57.898
bonds (distance) P-C4' energy: -61.025
flat angles C4'-P-C4' energy: -59.652
flat angles P-C4'-P energy: -49.347
tors. eta vs tors. theta energy: -82.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1008.306297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.306297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.306297 (E_RNA)
where:
Base-Base interactions energy: -676.719
where: short stacking energy: -275.655
Base-Backbone interact. energy: -0.779
local terms energy: -330.807812
where:
bonds (distance) C4'-P energy: -64.116
bonds (distance) P-C4' energy: -64.688
flat angles C4'-P-C4' energy: -70.099
flat angles P-C4'-P energy: -47.963
tors. eta vs tors. theta energy: -83.943
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: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -828.033237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.033237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.033237 (E_RNA)
where:
Base-Base interactions energy: -520.546
where: short stacking energy: -242.958
Base-Backbone interact. energy: 3.514
local terms energy: -311.001111
where:
bonds (distance) C4'-P energy: -65.040
bonds (distance) P-C4' energy: -69.654
flat angles C4'-P-C4' energy: -69.453
flat angles P-C4'-P energy: -39.743
tors. eta vs tors. theta energy: -67.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -723.276743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.276743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.276743 (E_RNA)
where:
Base-Base interactions energy: -473.223
where: short stacking energy: -212.225
Base-Backbone interact. energy: -1.433
local terms energy: -248.620049
where:
bonds (distance) C4'-P energy: -54.283
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -62.157
flat angles P-C4'-P energy: -44.791
tors. eta vs tors. theta energy: -45.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -639.447170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.447170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.447170 (E_RNA)
where:
Base-Base interactions energy: -403.784
where: short stacking energy: -184.147
Base-Backbone interact. energy: 0.611
local terms energy: -237.287498
where:
bonds (distance) C4'-P energy: -44.936
bonds (distance) P-C4' energy: -57.147
flat angles C4'-P-C4' energy: -57.026
flat angles P-C4'-P energy: -40.307
tors. eta vs tors. theta energy: -37.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.013 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -559.819034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.819034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.819034 (E_RNA)
where:
Base-Base interactions energy: -335.021
where: short stacking energy: -174.643
Base-Backbone interact. energy: 0.450
local terms energy: -225.247463
where:
bonds (distance) C4'-P energy: -42.360
bonds (distance) P-C4' energy: -57.153
flat angles C4'-P-C4' energy: -51.702
flat angles P-C4'-P energy: -38.849
tors. eta vs tors. theta energy: -35.183
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: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -282.700937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.700937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.700937 (E_RNA)
where:
Base-Base interactions energy: -94.622
where: short stacking energy: -77.621
Base-Backbone interact. energy: -1.022
local terms energy: -187.057337
where:
bonds (distance) C4'-P energy: -66.500
bonds (distance) P-C4' energy: -55.811
flat angles C4'-P-C4' energy: -53.864
flat angles P-C4'-P energy: -31.872
tors. eta vs tors. theta energy: 20.990
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: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -335.322726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.322726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.322726 (E_RNA)
where:
Base-Base interactions energy: -168.329
where: short stacking energy: -91.895
Base-Backbone interact. energy: 6.915
local terms energy: -173.908827
where:
bonds (distance) C4'-P energy: -64.477
bonds (distance) P-C4' energy: -49.905
flat angles C4'-P-C4' energy: -41.048
flat angles P-C4'-P energy: -27.507
tors. eta vs tors. theta energy: 9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1175.360633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.360633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.360633 (E_RNA)
where:
Base-Base interactions energy: -828.084
where: short stacking energy: -327.271
Base-Backbone interact. energy: -0.516
local terms energy: -346.761159
where:
bonds (distance) C4'-P energy: -60.311
bonds (distance) P-C4' energy: -67.307
flat angles C4'-P-C4' energy: -67.682
flat angles P-C4'-P energy: -51.703
tors. eta vs tors. theta energy: -99.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1102.254757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.254757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.254757 (E_RNA)
where:
Base-Base interactions energy: -754.715
where: short stacking energy: -308.337
Base-Backbone interact. energy: -3.344
local terms energy: -344.195631
where:
bonds (distance) C4'-P energy: -60.312
bonds (distance) P-C4' energy: -68.324
flat angles C4'-P-C4' energy: -71.463
flat angles P-C4'-P energy: -50.154
tors. eta vs tors. theta energy: -93.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1030.747426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.747426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.747426 (E_RNA)
where:
Base-Base interactions energy: -698.478
where: short stacking energy: -285.499
Base-Backbone interact. energy: -0.631
local terms energy: -331.637466
where:
bonds (distance) C4'-P energy: -63.258
bonds (distance) P-C4' energy: -63.627
flat angles C4'-P-C4' energy: -63.761
flat angles P-C4'-P energy: -43.792
tors. eta vs tors. theta energy: -97.198
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: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -930.469413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.469413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.469413 (E_RNA)
where:
Base-Base interactions energy: -622.086
where: short stacking energy: -264.640
Base-Backbone interact. energy: -0.876
local terms energy: -307.507628
where:
bonds (distance) C4'-P energy: -60.894
bonds (distance) P-C4' energy: -54.925
flat angles C4'-P-C4' energy: -69.795
flat angles P-C4'-P energy: -42.044
tors. eta vs tors. theta energy: -79.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -750.937303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.937303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.937303 (E_RNA)
where:
Base-Base interactions energy: -463.791
where: short stacking energy: -208.785
Base-Backbone interact. energy: -1.932
local terms energy: -285.213763
where:
bonds (distance) C4'-P energy: -64.420
bonds (distance) P-C4' energy: -61.021
flat angles C4'-P-C4' energy: -62.588
flat angles P-C4'-P energy: -40.699
tors. eta vs tors. theta energy: -56.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -628.132869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.132869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.132869 (E_RNA)
where:
Base-Base interactions energy: -366.563
where: short stacking energy: -175.820
Base-Backbone interact. energy: 1.646
local terms energy: -263.216043
where:
bonds (distance) C4'-P energy: -61.493
bonds (distance) P-C4' energy: -77.434
flat angles C4'-P-C4' energy: -53.126
flat angles P-C4'-P energy: -34.557
tors. eta vs tors. theta energy: -36.606
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: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -635.605160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.605160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.605160 (E_RNA)
where:
Base-Base interactions energy: -393.558
where: short stacking energy: -184.651
Base-Backbone interact. energy: 2.117
local terms energy: -244.164153
where:
bonds (distance) C4'-P energy: -48.136
bonds (distance) P-C4' energy: -56.482
flat angles C4'-P-C4' energy: -67.168
flat angles P-C4'-P energy: -34.947
tors. eta vs tors. theta energy: -37.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -550.773777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.773777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.773777 (E_RNA)
where:
Base-Base interactions energy: -312.849
where: short stacking energy: -155.842
Base-Backbone interact. energy: -2.362
local terms energy: -235.562753
where:
bonds (distance) C4'-P energy: -56.301
bonds (distance) P-C4' energy: -61.054
flat angles C4'-P-C4' energy: -52.482
flat angles P-C4'-P energy: -31.202
tors. eta vs tors. theta energy: -34.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -371.879132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.879132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.879132 (E_RNA)
where:
Base-Base interactions energy: -191.712
where: short stacking energy: -116.908
Base-Backbone interact. energy: 5.387
local terms energy: -185.554715
where:
bonds (distance) C4'-P energy: -44.095
bonds (distance) P-C4' energy: -51.442
flat angles C4'-P-C4' energy: -46.427
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -257.122572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.122572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.122572 (E_RNA)
where:
Base-Base interactions energy: -75.636
where: short stacking energy: -66.639
Base-Backbone interact. energy: 4.512
local terms energy: -185.998170
where:
bonds (distance) C4'-P energy: -59.300
bonds (distance) P-C4' energy: -54.884
flat angles C4'-P-C4' energy: -52.135
flat angles P-C4'-P energy: -29.539
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: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1140.949122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.949122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.949122 (E_RNA)
where:
Base-Base interactions energy: -800.051
where: short stacking energy: -313.424
Base-Backbone interact. energy: -1.348
local terms energy: -339.550817
where:
bonds (distance) C4'-P energy: -53.195
bonds (distance) P-C4' energy: -57.507
flat angles C4'-P-C4' energy: -73.126
flat angles P-C4'-P energy: -57.484
tors. eta vs tors. theta energy: -98.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1121.702028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.702028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.702028 (E_RNA)
where:
Base-Base interactions energy: -766.105
where: short stacking energy: -308.051
Base-Backbone interact. energy: -1.507
local terms energy: -354.090003
where:
bonds (distance) C4'-P energy: -67.524
bonds (distance) P-C4' energy: -68.260
flat angles C4'-P-C4' energy: -78.349
flat angles P-C4'-P energy: -45.810
tors. eta vs tors. theta energy: -94.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1019.018751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.018751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.018751 (E_RNA)
where:
Base-Base interactions energy: -691.809
where: short stacking energy: -277.840
Base-Backbone interact. energy: -3.284
local terms energy: -323.925979
where:
bonds (distance) C4'-P energy: -69.668
bonds (distance) P-C4' energy: -60.245
flat angles C4'-P-C4' energy: -68.228
flat angles P-C4'-P energy: -38.786
tors. eta vs tors. theta energy: -86.999
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: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -921.989225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.989225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.989225 (E_RNA)
where:
Base-Base interactions energy: -608.348
where: short stacking energy: -269.147
Base-Backbone interact. energy: 0.589
local terms energy: -314.230372
where:
bonds (distance) C4'-P energy: -66.025
bonds (distance) P-C4' energy: -61.013
flat angles C4'-P-C4' energy: -57.309
flat angles P-C4'-P energy: -46.916
tors. eta vs tors. theta energy: -82.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -781.320173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.320173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.320173 (E_RNA)
where:
Base-Base interactions energy: -493.045
where: short stacking energy: -216.176
Base-Backbone interact. energy: -1.152
local terms energy: -287.123077
where:
bonds (distance) C4'-P energy: -57.963
bonds (distance) P-C4' energy: -66.058
flat angles C4'-P-C4' energy: -55.729
flat angles P-C4'-P energy: -40.775
tors. eta vs tors. theta energy: -66.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -666.594998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.594998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.594998 (E_RNA)
where:
Base-Base interactions energy: -429.028
where: short stacking energy: -173.387
Base-Backbone interact. energy: -1.427
local terms energy: -239.052701
where:
bonds (distance) C4'-P energy: -56.420
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -54.262
flat angles P-C4'-P energy: -39.012
tors. eta vs tors. theta energy: -34.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.913 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -606.538745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.538745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.538745 (E_RNA)
where:
Base-Base interactions energy: -348.688
where: short stacking energy: -186.543
Base-Backbone interact. energy: -1.540
local terms energy: -256.310341
where:
bonds (distance) C4'-P energy: -65.744
bonds (distance) P-C4' energy: -56.022
flat angles C4'-P-C4' energy: -59.774
flat angles P-C4'-P energy: -36.831
tors. eta vs tors. theta energy: -37.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -528.537562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.537562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.537562 (E_RNA)
where:
Base-Base interactions energy: -294.906
where: short stacking energy: -135.365
Base-Backbone interact. energy: -0.933
local terms energy: -232.698366
where:
bonds (distance) C4'-P energy: -59.440
bonds (distance) P-C4' energy: -70.241
flat angles C4'-P-C4' energy: -49.833
flat angles P-C4'-P energy: -29.327
tors. eta vs tors. theta energy: -23.857
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: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -352.627244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.627244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.627244 (E_RNA)
where:
Base-Base interactions energy: -161.484
where: short stacking energy: -95.227
Base-Backbone interact. energy: 0.308
local terms energy: -192.476991
where:
bonds (distance) C4'-P energy: -46.308
bonds (distance) P-C4' energy: -62.913
flat angles C4'-P-C4' energy: -56.620
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.026 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -284.911211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.911211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.911211 (E_RNA)
where:
Base-Base interactions energy: -89.708
where: short stacking energy: -77.774
Base-Backbone interact. energy: -0.245
local terms energy: -194.958956
where:
bonds (distance) C4'-P energy: -55.059
bonds (distance) P-C4' energy: -68.075
flat angles C4'-P-C4' energy: -44.155
flat angles P-C4'-P energy: -31.593
tors. eta vs tors. theta energy: 3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1147.071381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.071381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.071381 (E_RNA)
where:
Base-Base interactions energy: -793.254
where: short stacking energy: -326.269
Base-Backbone interact. energy: 0.577
local terms energy: -354.394390
where:
bonds (distance) C4'-P energy: -74.153
bonds (distance) P-C4' energy: -62.695
flat angles C4'-P-C4' energy: -64.170
flat angles P-C4'-P energy: -50.319
tors. eta vs tors. theta energy: -103.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1114.232192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.232192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.232192 (E_RNA)
where:
Base-Base interactions energy: -766.568
where: short stacking energy: -337.076
Base-Backbone interact. energy: -0.126
local terms energy: -347.538207
where:
bonds (distance) C4'-P energy: -61.160
bonds (distance) P-C4' energy: -67.226
flat angles C4'-P-C4' energy: -72.043
flat angles P-C4'-P energy: -50.719
tors. eta vs tors. theta energy: -96.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1043.343192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.343192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.343192 (E_RNA)
where:
Base-Base interactions energy: -715.798
where: short stacking energy: -300.886
Base-Backbone interact. energy: -1.552
local terms energy: -325.993241
where:
bonds (distance) C4'-P energy: -57.734
bonds (distance) P-C4' energy: -65.367
flat angles C4'-P-C4' energy: -67.443
flat angles P-C4'-P energy: -40.421
tors. eta vs tors. theta energy: -95.029
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: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -953.981257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.981257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.981257 (E_RNA)
where:
Base-Base interactions energy: -625.952
where: short stacking energy: -283.219
Base-Backbone interact. energy: 0.260
local terms energy: -328.289403
where:
bonds (distance) C4'-P energy: -54.870
bonds (distance) P-C4' energy: -71.090
flat angles C4'-P-C4' energy: -72.643
flat angles P-C4'-P energy: -46.992
tors. eta vs tors. theta energy: -82.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -757.742141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.742141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.742141 (E_RNA)
where:
Base-Base interactions energy: -467.858
where: short stacking energy: -208.598
Base-Backbone interact. energy: -1.468
local terms energy: -288.415520
where:
bonds (distance) C4'-P energy: -47.898
bonds (distance) P-C4' energy: -64.452
flat angles C4'-P-C4' energy: -68.553
flat angles P-C4'-P energy: -49.889
tors. eta vs tors. theta energy: -57.623
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: 382
Temperature: 1.150000
Total energy: -745.785462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.785462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.785462 (E_RNA)
where:
Base-Base interactions energy: -475.183
where: short stacking energy: -207.074
Base-Backbone interact. energy: -1.727
local terms energy: -268.874798
where:
bonds (distance) C4'-P energy: -56.973
bonds (distance) P-C4' energy: -51.359
flat angles C4'-P-C4' energy: -60.313
flat angles P-C4'-P energy: -37.137
tors. eta vs tors. theta energy: -63.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -590.786677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.786677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.786677 (E_RNA)
where:
Base-Base interactions energy: -338.727
where: short stacking energy: -159.170
Base-Backbone interact. energy: 0.985
local terms energy: -254.091272
where:
bonds (distance) C4'-P energy: -54.037
bonds (distance) P-C4' energy: -71.587
flat angles C4'-P-C4' energy: -64.994
flat angles P-C4'-P energy: -36.916
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.047 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -568.553747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.553747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.553747 (E_RNA)
where:
Base-Base interactions energy: -328.087
where: short stacking energy: -162.264
Base-Backbone interact. energy: -2.156
local terms energy: -238.310485
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -65.899
flat angles C4'-P-C4' energy: -58.687
flat angles P-C4'-P energy: -43.170
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: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -386.388127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.388127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.388127 (E_RNA)
where:
Base-Base interactions energy: -193.495
where: short stacking energy: -101.556
Base-Backbone interact. energy: -2.253
local terms energy: -190.639996
where:
bonds (distance) C4'-P energy: -46.474
bonds (distance) P-C4' energy: -58.779
flat angles C4'-P-C4' energy: -55.087
flat angles P-C4'-P energy: -30.896
tors. eta vs tors. theta energy: 0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -250.219012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.219012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.219012 (E_RNA)
where:
Base-Base interactions energy: -76.463
where: short stacking energy: -73.181
Base-Backbone interact. energy: -0.816
local terms energy: -172.939870
where:
bonds (distance) C4'-P energy: -49.457
bonds (distance) P-C4' energy: -63.156
flat angles C4'-P-C4' energy: -39.941
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1148.983613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.983613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.983613 (E_RNA)
where:
Base-Base interactions energy: -786.325
where: short stacking energy: -320.512
Base-Backbone interact. energy: -1.894
local terms energy: -360.764349
where:
bonds (distance) C4'-P energy: -69.680
bonds (distance) P-C4' energy: -70.671
flat angles C4'-P-C4' energy: -74.944
flat angles P-C4'-P energy: -47.523
tors. eta vs tors. theta energy: -97.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1112.047462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.047462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.047462 (E_RNA)
where:
Base-Base interactions energy: -741.428
where: short stacking energy: -329.539
Base-Backbone interact. energy: -1.048
local terms energy: -369.572050
where:
bonds (distance) C4'-P energy: -66.378
bonds (distance) P-C4' energy: -78.869
flat angles C4'-P-C4' energy: -69.408
flat angles P-C4'-P energy: -57.085
tors. eta vs tors. theta energy: -97.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1041.557230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.557230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.557230 (E_RNA)
where:
Base-Base interactions energy: -709.959
where: short stacking energy: -289.101
Base-Backbone interact. energy: -0.648
local terms energy: -330.950165
where:
bonds (distance) C4'-P energy: -69.519
bonds (distance) P-C4' energy: -62.188
flat angles C4'-P-C4' energy: -65.006
flat angles P-C4'-P energy: -49.236
tors. eta vs tors. theta energy: -85.002
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: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -985.178621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.178621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.178621 (E_RNA)
where:
Base-Base interactions energy: -649.393
where: short stacking energy: -283.214
Base-Backbone interact. energy: 1.181
local terms energy: -336.966049
where:
bonds (distance) C4'-P energy: -59.252
bonds (distance) P-C4' energy: -69.455
flat angles C4'-P-C4' energy: -69.849
flat angles P-C4'-P energy: -48.843
tors. eta vs tors. theta energy: -89.567
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: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -739.576512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.576512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.576512 (E_RNA)
where:
Base-Base interactions energy: -469.205
where: short stacking energy: -232.752
Base-Backbone interact. energy: 0.583
local terms energy: -270.954615
where:
bonds (distance) C4'-P energy: -43.190
bonds (distance) P-C4' energy: -51.257
flat angles C4'-P-C4' energy: -62.253
flat angles P-C4'-P energy: -50.979
tors. eta vs tors. theta energy: -63.276
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: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -678.605603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.605603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.605603 (E_RNA)
where:
Base-Base interactions energy: -413.010
where: short stacking energy: -191.364
Base-Backbone interact. energy: -1.750
local terms energy: -263.845944
where:
bonds (distance) C4'-P energy: -57.835
bonds (distance) P-C4' energy: -62.061
flat angles C4'-P-C4' energy: -55.399
flat angles P-C4'-P energy: -43.466
tors. eta vs tors. theta energy: -45.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -666.351460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.351460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.351460 (E_RNA)
where:
Base-Base interactions energy: -412.108
where: short stacking energy: -180.218
Base-Backbone interact. energy: -1.318
local terms energy: -252.924710
where:
bonds (distance) C4'-P energy: -56.326
bonds (distance) P-C4' energy: -57.701
flat angles C4'-P-C4' energy: -59.992
flat angles P-C4'-P energy: -41.761
tors. eta vs tors. theta energy: -37.144
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: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -547.031211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.031211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.031211 (E_RNA)
where:
Base-Base interactions energy: -328.044
where: short stacking energy: -167.668
Base-Backbone interact. energy: -1.228
local terms energy: -217.758780
where:
bonds (distance) C4'-P energy: -57.104
bonds (distance) P-C4' energy: -48.774
flat angles C4'-P-C4' energy: -55.730
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -26.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -404.663052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.663052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.663052 (E_RNA)
where:
Base-Base interactions energy: -203.048
where: short stacking energy: -115.751
Base-Backbone interact. energy: -0.088
local terms energy: -201.740642
where:
bonds (distance) C4'-P energy: -55.495
bonds (distance) P-C4' energy: -47.722
flat angles C4'-P-C4' energy: -46.696
flat angles P-C4'-P energy: -39.131
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: 0.213 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -261.801358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.801358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.801358 (E_RNA)
where:
Base-Base interactions energy: -84.456
where: short stacking energy: -82.038
Base-Backbone interact. energy: -0.196
local terms energy: -177.148742
where:
bonds (distance) C4'-P energy: -43.755
bonds (distance) P-C4' energy: -57.508
flat angles C4'-P-C4' energy: -64.527
flat angles P-C4'-P energy: -29.616
tors. eta vs tors. theta energy: 18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1142.372993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.372993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.372993 (E_RNA)
where:
Base-Base interactions energy: -791.858
where: short stacking energy: -320.488
Base-Backbone interact. energy: -1.350
local terms energy: -349.506575
where:
bonds (distance) C4'-P energy: -64.637
bonds (distance) P-C4' energy: -65.456
flat angles C4'-P-C4' energy: -75.086
flat angles P-C4'-P energy: -49.897
tors. eta vs tors. theta energy: -94.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.341 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1120.410863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.410863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.410863 (E_RNA)
where:
Base-Base interactions energy: -771.357
where: short stacking energy: -326.951
Base-Backbone interact. energy: -1.843
local terms energy: -347.210740
where:
bonds (distance) C4'-P energy: -65.951
bonds (distance) P-C4' energy: -62.489
flat angles C4'-P-C4' energy: -75.113
flat angles P-C4'-P energy: -44.702
tors. eta vs tors. theta energy: -98.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1033.998187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.998187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.998187 (E_RNA)
where:
Base-Base interactions energy: -696.258
where: short stacking energy: -287.256
Base-Backbone interact. energy: -1.810
local terms energy: -335.930406
where:
bonds (distance) C4'-P energy: -62.136
bonds (distance) P-C4' energy: -69.328
flat angles C4'-P-C4' energy: -70.826
flat angles P-C4'-P energy: -48.883
tors. eta vs tors. theta energy: -84.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -986.635908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.635908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.635908 (E_RNA)
where:
Base-Base interactions energy: -689.261
where: short stacking energy: -288.231
Base-Backbone interact. energy: -0.303
local terms energy: -300.032031
where:
bonds (distance) C4'-P energy: -50.826
bonds (distance) P-C4' energy: -57.191
flat angles C4'-P-C4' energy: -68.819
flat angles P-C4'-P energy: -43.551
tors. eta vs tors. theta energy: -79.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.960 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -750.980163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.980163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.980163 (E_RNA)
where:
Base-Base interactions energy: -468.856
where: short stacking energy: -231.756
Base-Backbone interact. energy: 1.460
local terms energy: -283.584620
where:
bonds (distance) C4'-P energy: -57.658
bonds (distance) P-C4' energy: -74.360
flat angles C4'-P-C4' energy: -66.209
flat angles P-C4'-P energy: -33.329
tors. eta vs tors. theta energy: -52.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -741.687734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.687734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.687734 (E_RNA)
where:
Base-Base interactions energy: -448.594
where: short stacking energy: -200.168
Base-Backbone interact. energy: -1.031
local terms energy: -292.062077
where:
bonds (distance) C4'-P energy: -60.531
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -58.042
flat angles P-C4'-P energy: -49.301
tors. eta vs tors. theta energy: -60.865
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: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -684.309369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.309369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.309369 (E_RNA)
where:
Base-Base interactions energy: -402.744
where: short stacking energy: -207.166
Base-Backbone interact. energy: 2.475
local terms energy: -284.040008
where:
bonds (distance) C4'-P energy: -59.089
bonds (distance) P-C4' energy: -62.511
flat angles C4'-P-C4' energy: -65.842
flat angles P-C4'-P energy: -42.782
tors. eta vs tors. theta energy: -53.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -566.584271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.584271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.584271 (E_RNA)
where:
Base-Base interactions energy: -334.567
where: short stacking energy: -147.802
Base-Backbone interact. energy: 1.861
local terms energy: -233.878262
where:
bonds (distance) C4'-P energy: -50.296
bonds (distance) P-C4' energy: -71.413
flat angles C4'-P-C4' energy: -52.190
flat angles P-C4'-P energy: -42.271
tors. eta vs tors. theta energy: -17.709
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: 384
Temperature: 1.300000
Total energy: -356.042239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.042239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.042239 (E_RNA)
where:
Base-Base interactions energy: -146.488
where: short stacking energy: -99.627
Base-Backbone interact. energy: -1.459
local terms energy: -208.094754
where:
bonds (distance) C4'-P energy: -55.542
bonds (distance) P-C4' energy: -69.565
flat angles C4'-P-C4' energy: -51.656
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -272.975871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.975871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.975871 (E_RNA)
where:
Base-Base interactions energy: -104.129
where: short stacking energy: -98.004
Base-Backbone interact. energy: 0.332
local terms energy: -169.178820
where:
bonds (distance) C4'-P energy: -41.410
bonds (distance) P-C4' energy: -49.367
flat angles C4'-P-C4' energy: -52.375
flat angles P-C4'-P energy: -30.924
tors. eta vs tors. theta energy: 4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1168.455686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.455686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.455686 (E_RNA)
where:
Base-Base interactions energy: -815.587
where: short stacking energy: -329.572
Base-Backbone interact. energy: -0.151
local terms energy: -352.717311
where:
bonds (distance) C4'-P energy: -67.808
bonds (distance) P-C4' energy: -71.515
flat angles C4'-P-C4' energy: -73.407
flat angles P-C4'-P energy: -49.998
tors. eta vs tors. theta energy: -89.990
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: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1111.638442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.638442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.638442 (E_RNA)
where:
Base-Base interactions energy: -741.551
where: short stacking energy: -304.534
Base-Backbone interact. energy: -1.933
local terms energy: -368.154910
where:
bonds (distance) C4'-P energy: -72.346
bonds (distance) P-C4' energy: -71.645
flat angles C4'-P-C4' energy: -78.376
flat angles P-C4'-P energy: -50.380
tors. eta vs tors. theta energy: -95.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1046.072314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.072314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.072314 (E_RNA)
where:
Base-Base interactions energy: -708.972
where: short stacking energy: -287.541
Base-Backbone interact. energy: -1.079
local terms energy: -336.021584
where:
bonds (distance) C4'-P energy: -60.727
bonds (distance) P-C4' energy: -67.545
flat angles C4'-P-C4' energy: -67.448
flat angles P-C4'-P energy: -54.402
tors. eta vs tors. theta energy: -85.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -975.172002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.172002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.172002 (E_RNA)
where:
Base-Base interactions energy: -646.549
where: short stacking energy: -292.994
Base-Backbone interact. energy: -0.150
local terms energy: -328.473305
where:
bonds (distance) C4'-P energy: -64.008
bonds (distance) P-C4' energy: -57.399
flat angles C4'-P-C4' energy: -76.298
flat angles P-C4'-P energy: -41.334
tors. eta vs tors. theta energy: -89.435
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: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -721.096265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.096265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.096265 (E_RNA)
where:
Base-Base interactions energy: -464.861
where: short stacking energy: -230.925
Base-Backbone interact. energy: 0.593
local terms energy: -256.828750
where:
bonds (distance) C4'-P energy: -53.689
bonds (distance) P-C4' energy: -57.670
flat angles C4'-P-C4' energy: -63.736
flat angles P-C4'-P energy: -27.473
tors. eta vs tors. theta energy: -54.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -717.090889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.090889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.090889 (E_RNA)
where:
Base-Base interactions energy: -459.892
where: short stacking energy: -221.139
Base-Backbone interact. energy: -1.216
local terms energy: -255.982753
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -64.631
flat angles C4'-P-C4' energy: -63.722
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -54.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -625.054390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.054390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.054390 (E_RNA)
where:
Base-Base interactions energy: -382.892
where: short stacking energy: -184.094
Base-Backbone interact. energy: -1.738
local terms energy: -240.424654
where:
bonds (distance) C4'-P energy: -54.051
bonds (distance) P-C4' energy: -57.887
flat angles C4'-P-C4' energy: -61.799
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -36.834
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: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -537.157690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.157690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.157690 (E_RNA)
where:
Base-Base interactions energy: -309.425
where: short stacking energy: -142.988
Base-Backbone interact. energy: -2.063
local terms energy: -225.735354
where:
bonds (distance) C4'-P energy: -62.172
bonds (distance) P-C4' energy: -62.191
flat angles C4'-P-C4' energy: -50.875
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.066 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -412.748417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.748417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.748417 (E_RNA)
where:
Base-Base interactions energy: -190.346
where: short stacking energy: -124.416
Base-Backbone interact. energy: 3.012
local terms energy: -225.414997
where:
bonds (distance) C4'-P energy: -62.847
bonds (distance) P-C4' energy: -59.974
flat angles C4'-P-C4' energy: -51.500
flat angles P-C4'-P energy: -40.379
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -277.013089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.013089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.013089 (E_RNA)
where:
Base-Base interactions energy: -92.200
where: short stacking energy: -62.655
Base-Backbone interact. energy: 0.724
local terms energy: -185.537402
where:
bonds (distance) C4'-P energy: -51.125
bonds (distance) P-C4' energy: -58.131
flat angles C4'-P-C4' energy: -50.231
flat angles P-C4'-P energy: -33.553
tors. eta vs tors. theta energy: 7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1169.943060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.943060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.943060 (E_RNA)
where:
Base-Base interactions energy: -797.009
where: short stacking energy: -323.012
Base-Backbone interact. energy: -0.980
local terms energy: -371.954270
where:
bonds (distance) C4'-P energy: -70.393
bonds (distance) P-C4' energy: -76.646
flat angles C4'-P-C4' energy: -78.154
flat angles P-C4'-P energy: -51.668
tors. eta vs tors. theta energy: -95.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1122.968970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.968970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.968970 (E_RNA)
where:
Base-Base interactions energy: -757.234
where: short stacking energy: -324.634
Base-Backbone interact. energy: -2.066
local terms energy: -363.669130
where:
bonds (distance) C4'-P energy: -74.273
bonds (distance) P-C4' energy: -73.005
flat angles C4'-P-C4' energy: -69.020
flat angles P-C4'-P energy: -51.810
tors. eta vs tors. theta energy: -95.563
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: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1054.146364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.146364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.146364 (E_RNA)
where:
Base-Base interactions energy: -736.133
where: short stacking energy: -309.102
Base-Backbone interact. energy: -0.955
local terms energy: -317.058379
where:
bonds (distance) C4'-P energy: -56.470
bonds (distance) P-C4' energy: -69.057
flat angles C4'-P-C4' energy: -67.786
flat angles P-C4'-P energy: -37.942
tors. eta vs tors. theta energy: -85.804
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: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -974.139483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.139483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.139483 (E_RNA)
where:
Base-Base interactions energy: -643.625
where: short stacking energy: -277.294
Base-Backbone interact. energy: -0.310
local terms energy: -330.204981
where:
bonds (distance) C4'-P energy: -56.481
bonds (distance) P-C4' energy: -66.809
flat angles C4'-P-C4' energy: -66.657
flat angles P-C4'-P energy: -54.082
tors. eta vs tors. theta energy: -86.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -769.389625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.389625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.389625 (E_RNA)
where:
Base-Base interactions energy: -488.107
where: short stacking energy: -223.781
Base-Backbone interact. energy: -0.828
local terms energy: -280.454011
where:
bonds (distance) C4'-P energy: -62.955
bonds (distance) P-C4' energy: -56.853
flat angles C4'-P-C4' energy: -62.991
flat angles P-C4'-P energy: -40.017
tors. eta vs tors. theta energy: -57.639
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: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -675.672058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.672058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.672058 (E_RNA)
where:
Base-Base interactions energy: -401.010
where: short stacking energy: -183.095
Base-Backbone interact. energy: -1.020
local terms energy: -273.642299
where:
bonds (distance) C4'-P energy: -52.494
bonds (distance) P-C4' energy: -69.250
flat angles C4'-P-C4' energy: -65.484
flat angles P-C4'-P energy: -34.542
tors. eta vs tors. theta energy: -51.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -658.740761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.740761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.740761 (E_RNA)
where:
Base-Base interactions energy: -410.377
where: short stacking energy: -205.035
Base-Backbone interact. energy: -1.081
local terms energy: -247.283029
where:
bonds (distance) C4'-P energy: -59.150
bonds (distance) P-C4' energy: -46.058
flat angles C4'-P-C4' energy: -56.149
flat angles P-C4'-P energy: -39.602
tors. eta vs tors. theta energy: -46.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -503.372279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.372279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.372279 (E_RNA)
where:
Base-Base interactions energy: -300.651
where: short stacking energy: -149.853
Base-Backbone interact. energy: 0.055
local terms energy: -202.776732
where:
bonds (distance) C4'-P energy: -58.809
bonds (distance) P-C4' energy: -53.004
flat angles C4'-P-C4' energy: -42.130
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -318.636935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.636935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.636935 (E_RNA)
where:
Base-Base interactions energy: -133.693
where: short stacking energy: -78.172
Base-Backbone interact. energy: 0.605
local terms energy: -185.549554
where:
bonds (distance) C4'-P energy: -58.119
bonds (distance) P-C4' energy: -63.267
flat angles C4'-P-C4' energy: -47.573
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: 10.513
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: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -339.359202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.359202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.359202 (E_RNA)
where:
Base-Base interactions energy: -169.976
where: short stacking energy: -84.509
Base-Backbone interact. energy: 8.576
local terms energy: -177.958439
where:
bonds (distance) C4'-P energy: -40.602
bonds (distance) P-C4' energy: -57.229
flat angles C4'-P-C4' energy: -48.575
flat angles P-C4'-P energy: -39.674
tors. eta vs tors. theta energy: 8.120
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: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1169.137200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.137200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.137200 (E_RNA)
where:
Base-Base interactions energy: -811.932
where: short stacking energy: -345.281
Base-Backbone interact. energy: 0.005
local terms energy: -357.210190
where:
bonds (distance) C4'-P energy: -66.097
bonds (distance) P-C4' energy: -68.841
flat angles C4'-P-C4' energy: -64.895
flat angles P-C4'-P energy: -48.798
tors. eta vs tors. theta energy: -108.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1147.341774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.341774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.341774 (E_RNA)
where:
Base-Base interactions energy: -788.466
where: short stacking energy: -334.487
Base-Backbone interact. energy: -0.652
local terms energy: -358.224411
where:
bonds (distance) C4'-P energy: -69.569
bonds (distance) P-C4' energy: -67.374
flat angles C4'-P-C4' energy: -71.333
flat angles P-C4'-P energy: -50.265
tors. eta vs tors. theta energy: -99.683
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: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1057.882239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.882239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.882239 (E_RNA)
where:
Base-Base interactions energy: -705.045
where: short stacking energy: -291.811
Base-Backbone interact. energy: -1.932
local terms energy: -350.904953
where:
bonds (distance) C4'-P energy: -69.778
bonds (distance) P-C4' energy: -55.933
flat angles C4'-P-C4' energy: -75.347
flat angles P-C4'-P energy: -53.031
tors. eta vs tors. theta energy: -96.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -989.778176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.778176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.778176 (E_RNA)
where:
Base-Base interactions energy: -656.758
where: short stacking energy: -284.903
Base-Backbone interact. energy: 0.485
local terms energy: -335.590458
where:
bonds (distance) C4'-P energy: -60.896
bonds (distance) P-C4' energy: -69.067
flat angles C4'-P-C4' energy: -70.372
flat angles P-C4'-P energy: -47.046
tors. eta vs tors. theta energy: -88.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.085 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -785.835354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.835354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.835354 (E_RNA)
where:
Base-Base interactions energy: -502.280
where: short stacking energy: -232.184
Base-Backbone interact. energy: -1.945
local terms energy: -281.610617
where:
bonds (distance) C4'-P energy: -61.215
bonds (distance) P-C4' energy: -51.744
flat angles C4'-P-C4' energy: -66.302
flat angles P-C4'-P energy: -36.811
tors. eta vs tors. theta energy: -65.538
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: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -752.744189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.744189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.744189 (E_RNA)
where:
Base-Base interactions energy: -477.507
where: short stacking energy: -209.919
Base-Backbone interact. energy: -2.783
local terms energy: -272.453869
where:
bonds (distance) C4'-P energy: -60.140
bonds (distance) P-C4' energy: -66.081
flat angles C4'-P-C4' energy: -56.047
flat angles P-C4'-P energy: -33.446
tors. eta vs tors. theta energy: -56.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -662.164711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.164711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.164711 (E_RNA)
where:
Base-Base interactions energy: -421.640
where: short stacking energy: -200.128
Base-Backbone interact. energy: 1.258
local terms energy: -241.782355
where:
bonds (distance) C4'-P energy: -50.715
bonds (distance) P-C4' energy: -50.552
flat angles C4'-P-C4' energy: -53.385
flat angles P-C4'-P energy: -36.861
tors. eta vs tors. theta energy: -50.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -552.917866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.917866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.917866 (E_RNA)
where:
Base-Base interactions energy: -320.912
where: short stacking energy: -182.383
Base-Backbone interact. energy: -1.636
local terms energy: -230.370658
where:
bonds (distance) C4'-P energy: -57.410
bonds (distance) P-C4' energy: -51.783
flat angles C4'-P-C4' energy: -51.262
flat angles P-C4'-P energy: -35.467
tors. eta vs tors. theta energy: -34.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -284.017386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.017386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.017386 (E_RNA)
where:
Base-Base interactions energy: -88.371
where: short stacking energy: -76.070
Base-Backbone interact. energy: 4.846
local terms energy: -200.492896
where:
bonds (distance) C4'-P energy: -63.954
bonds (distance) P-C4' energy: -64.575
flat angles C4'-P-C4' energy: -55.240
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: 12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -349.977565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.977565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.977565 (E_RNA)
where:
Base-Base interactions energy: -168.572
where: short stacking energy: -103.648
Base-Backbone interact. energy: 8.642
local terms energy: -190.047096
where:
bonds (distance) C4'-P energy: -48.567
bonds (distance) P-C4' energy: -62.907
flat angles C4'-P-C4' energy: -53.345
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1168.240847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.240847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.240847 (E_RNA)
where:
Base-Base interactions energy: -806.788
where: short stacking energy: -351.264
Base-Backbone interact. energy: 0.192
local terms energy: -361.644504
where:
bonds (distance) C4'-P energy: -64.497
bonds (distance) P-C4' energy: -64.764
flat angles C4'-P-C4' energy: -78.980
flat angles P-C4'-P energy: -46.507
tors. eta vs tors. theta energy: -106.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1120.703387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.703387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.703387 (E_RNA)
where:
Base-Base interactions energy: -762.142
where: short stacking energy: -313.455
Base-Backbone interact. energy: 1.720
local terms energy: -360.282003
where:
bonds (distance) C4'-P energy: -67.584
bonds (distance) P-C4' energy: -67.421
flat angles C4'-P-C4' energy: -72.740
flat angles P-C4'-P energy: -48.460
tors. eta vs tors. theta energy: -104.077
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: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1065.262768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.262768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.262768 (E_RNA)
where:
Base-Base interactions energy: -728.860
where: short stacking energy: -306.056
Base-Backbone interact. energy: -0.426
local terms energy: -335.976324
where:
bonds (distance) C4'-P energy: -66.619
bonds (distance) P-C4' energy: -54.495
flat angles C4'-P-C4' energy: -76.444
flat angles P-C4'-P energy: -43.615
tors. eta vs tors. theta energy: -94.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -940.571379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.571379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.571379 (E_RNA)
where:
Base-Base interactions energy: -629.254
where: short stacking energy: -271.744
Base-Backbone interact. energy: -0.380
local terms energy: -310.937384
where:
bonds (distance) C4'-P energy: -57.313
bonds (distance) P-C4' energy: -65.673
flat angles C4'-P-C4' energy: -61.844
flat angles P-C4'-P energy: -41.929
tors. eta vs tors. theta energy: -84.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -802.748442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.748442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.748442 (E_RNA)
where:
Base-Base interactions energy: -533.695
where: short stacking energy: -252.362
Base-Backbone interact. energy: 1.903
local terms energy: -270.956278
where:
bonds (distance) C4'-P energy: -58.547
bonds (distance) P-C4' energy: -63.574
flat angles C4'-P-C4' energy: -59.623
flat angles P-C4'-P energy: -38.577
tors. eta vs tors. theta energy: -50.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -750.298402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.298402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.298402 (E_RNA)
where:
Base-Base interactions energy: -445.049
where: short stacking energy: -217.548
Base-Backbone interact. energy: -2.476
local terms energy: -302.773794
where:
bonds (distance) C4'-P energy: -62.649
bonds (distance) P-C4' energy: -69.357
flat angles C4'-P-C4' energy: -65.274
flat angles P-C4'-P energy: -48.786
tors. eta vs tors. theta energy: -56.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -657.039359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.039359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.039359 (E_RNA)
where:
Base-Base interactions energy: -409.496
where: short stacking energy: -185.592
Base-Backbone interact. energy: -1.326
local terms energy: -246.218056
where:
bonds (distance) C4'-P energy: -50.568
bonds (distance) P-C4' energy: -48.749
flat angles C4'-P-C4' energy: -60.524
flat angles P-C4'-P energy: -37.559
tors. eta vs tors. theta energy: -48.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -476.875716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.875716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.875716 (E_RNA)
where:
Base-Base interactions energy: -273.717
where: short stacking energy: -136.551
Base-Backbone interact. energy: 5.177
local terms energy: -208.335614
where:
bonds (distance) C4'-P energy: -59.830
bonds (distance) P-C4' energy: -63.601
flat angles C4'-P-C4' energy: -38.287
flat angles P-C4'-P energy: -32.229
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -401.686896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.686896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.686896 (E_RNA)
where:
Base-Base interactions energy: -192.162
where: short stacking energy: -104.831
Base-Backbone interact. energy: 0.878
local terms energy: -210.402761
where:
bonds (distance) C4'-P energy: -56.155
bonds (distance) P-C4' energy: -66.439
flat angles C4'-P-C4' energy: -43.238
flat angles P-C4'-P energy: -38.555
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -274.176349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.176349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.176349 (E_RNA)
where:
Base-Base interactions energy: -72.580
where: short stacking energy: -62.525
Base-Backbone interact. energy: -3.017
local terms energy: -198.579550
where:
bonds (distance) C4'-P energy: -60.007
bonds (distance) P-C4' energy: -60.993
flat angles C4'-P-C4' energy: -53.898
flat angles P-C4'-P energy: -27.122
tors. eta vs tors. theta energy: 3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1170.668541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.668541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.668541 (E_RNA)
where:
Base-Base interactions energy: -809.514
where: short stacking energy: -336.426
Base-Backbone interact. energy: -1.937
local terms energy: -359.217461
where:
bonds (distance) C4'-P energy: -69.291
bonds (distance) P-C4' energy: -69.154
flat angles C4'-P-C4' energy: -72.772
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -102.589
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: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1079.998556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.998556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.998556 (E_RNA)
where:
Base-Base interactions energy: -730.579
where: short stacking energy: -323.836
Base-Backbone interact. energy: -0.228
local terms energy: -349.191849
where:
bonds (distance) C4'-P energy: -62.692
bonds (distance) P-C4' energy: -77.600
flat angles C4'-P-C4' energy: -70.692
flat angles P-C4'-P energy: -47.663
tors. eta vs tors. theta energy: -90.545
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: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1100.293690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.293690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.293690 (E_RNA)
where:
Base-Base interactions energy: -752.992
where: short stacking energy: -288.580
Base-Backbone interact. energy: -1.403
local terms energy: -345.898134
where:
bonds (distance) C4'-P energy: -61.462
bonds (distance) P-C4' energy: -71.658
flat angles C4'-P-C4' energy: -71.293
flat angles P-C4'-P energy: -47.847
tors. eta vs tors. theta energy: -93.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -923.901137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.901137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.901137 (E_RNA)
where:
Base-Base interactions energy: -612.293
where: short stacking energy: -263.353
Base-Backbone interact. energy: 1.320
local terms energy: -312.928022
where:
bonds (distance) C4'-P energy: -63.699
bonds (distance) P-C4' energy: -69.012
flat angles C4'-P-C4' energy: -67.439
flat angles P-C4'-P energy: -41.291
tors. eta vs tors. theta energy: -71.488
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: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -734.767009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.767009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.767009 (E_RNA)
where:
Base-Base interactions energy: -475.036
where: short stacking energy: -194.359
Base-Backbone interact. energy: 0.846
local terms energy: -260.576693
where:
bonds (distance) C4'-P energy: -57.491
bonds (distance) P-C4' energy: -63.607
flat angles C4'-P-C4' energy: -63.129
flat angles P-C4'-P energy: -42.355
tors. eta vs tors. theta energy: -33.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -669.589020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.589020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.589020 (E_RNA)
where:
Base-Base interactions energy: -408.002
where: short stacking energy: -172.777
Base-Backbone interact. energy: 1.249
local terms energy: -262.835764
where:
bonds (distance) C4'-P energy: -56.540
bonds (distance) P-C4' energy: -66.291
flat angles C4'-P-C4' energy: -52.722
flat angles P-C4'-P energy: -50.516
tors. eta vs tors. theta energy: -36.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -662.230926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.230926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.230926 (E_RNA)
where:
Base-Base interactions energy: -411.438
where: short stacking energy: -195.773
Base-Backbone interact. energy: 1.634
local terms energy: -252.809445
where:
bonds (distance) C4'-P energy: -52.643
bonds (distance) P-C4' energy: -53.128
flat angles C4'-P-C4' energy: -61.077
flat angles P-C4'-P energy: -36.272
tors. eta vs tors. theta energy: -49.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.383 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -455.700794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.700794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.700794 (E_RNA)
where:
Base-Base interactions energy: -242.008
where: short stacking energy: -124.026
Base-Backbone interact. energy: -1.767
local terms energy: -211.926381
where:
bonds (distance) C4'-P energy: -54.822
bonds (distance) P-C4' energy: -64.328
flat angles C4'-P-C4' energy: -53.756
flat angles P-C4'-P energy: -29.418
tors. eta vs tors. theta energy: -9.603
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: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -425.933610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.933610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.933610 (E_RNA)
where:
Base-Base interactions energy: -228.174
where: short stacking energy: -128.650
Base-Backbone interact. energy: 0.840
local terms energy: -198.600157
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -60.964
flat angles C4'-P-C4' energy: -47.315
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -255.476437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.476437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.476437 (E_RNA)
where:
Base-Base interactions energy: -101.012
where: short stacking energy: -72.281
Base-Backbone interact. energy: -0.059
local terms energy: -154.405394
where:
bonds (distance) C4'-P energy: -59.538
bonds (distance) P-C4' energy: -45.702
flat angles C4'-P-C4' energy: -40.116
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: 10.728
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: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1166.750087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.750087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.750087 (E_RNA)
where:
Base-Base interactions energy: -796.097
where: short stacking energy: -338.199
Base-Backbone interact. energy: -0.389
local terms energy: -370.264590
where:
bonds (distance) C4'-P energy: -60.612
bonds (distance) P-C4' energy: -73.126
flat angles C4'-P-C4' energy: -81.523
flat angles P-C4'-P energy: -52.911
tors. eta vs tors. theta energy: -102.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1062.601120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.601120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.601120 (E_RNA)
where:
Base-Base interactions energy: -729.565
where: short stacking energy: -300.266
Base-Backbone interact. energy: -0.648
local terms energy: -332.387973
where:
bonds (distance) C4'-P energy: -64.202
bonds (distance) P-C4' energy: -61.547
flat angles C4'-P-C4' energy: -71.086
flat angles P-C4'-P energy: -47.539
tors. eta vs tors. theta energy: -88.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1116.553462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.553462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.553462 (E_RNA)
where:
Base-Base interactions energy: -776.006
where: short stacking energy: -302.811
Base-Backbone interact. energy: -1.368
local terms energy: -339.180071
where:
bonds (distance) C4'-P energy: -52.357
bonds (distance) P-C4' energy: -67.411
flat angles C4'-P-C4' energy: -75.884
flat angles P-C4'-P energy: -45.464
tors. eta vs tors. theta energy: -98.064
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: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -944.505129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.505129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.505129 (E_RNA)
where:
Base-Base interactions energy: -627.735
where: short stacking energy: -273.264
Base-Backbone interact. energy: -0.386
local terms energy: -316.384569
where:
bonds (distance) C4'-P energy: -57.681
bonds (distance) P-C4' energy: -52.949
flat angles C4'-P-C4' energy: -76.878
flat angles P-C4'-P energy: -47.891
tors. eta vs tors. theta energy: -80.985
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: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -755.767817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.767817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.767817 (E_RNA)
where:
Base-Base interactions energy: -473.874
where: short stacking energy: -217.638
Base-Backbone interact. energy: 3.142
local terms energy: -285.036182
where:
bonds (distance) C4'-P energy: -64.068
bonds (distance) P-C4' energy: -55.887
flat angles C4'-P-C4' energy: -62.081
flat angles P-C4'-P energy: -51.277
tors. eta vs tors. theta energy: -51.723
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: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -762.729976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.729976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.729976 (E_RNA)
where:
Base-Base interactions energy: -499.947
where: short stacking energy: -206.669
Base-Backbone interact. energy: 2.507
local terms energy: -265.330940
where:
bonds (distance) C4'-P energy: -63.187
bonds (distance) P-C4' energy: -60.871
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -43.141
tors. eta vs tors. theta energy: -38.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.041 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -665.911310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.911310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.911310 (E_RNA)
where:
Base-Base interactions energy: -417.289
where: short stacking energy: -189.590
Base-Backbone interact. energy: -0.360
local terms energy: -248.262262
where:
bonds (distance) C4'-P energy: -56.211
bonds (distance) P-C4' energy: -59.905
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -33.116
tors. eta vs tors. theta energy: -45.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -493.795546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.795546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.795546 (E_RNA)
where:
Base-Base interactions energy: -287.104
where: short stacking energy: -138.090
Base-Backbone interact. energy: -2.174
local terms energy: -204.517777
where:
bonds (distance) C4'-P energy: -40.874
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -52.623
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -397.021099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.021099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.021099 (E_RNA)
where:
Base-Base interactions energy: -182.720
where: short stacking energy: -77.479
Base-Backbone interact. energy: -3.926
local terms energy: -210.374570
where:
bonds (distance) C4'-P energy: -58.125
bonds (distance) P-C4' energy: -54.463
flat angles C4'-P-C4' energy: -50.348
flat angles P-C4'-P energy: -46.574
tors. eta vs tors. theta energy: -0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -273.470143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.470143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.470143 (E_RNA)
where:
Base-Base interactions energy: -93.887
where: short stacking energy: -81.069
Base-Backbone interact. energy: 0.964
local terms energy: -180.546616
where:
bonds (distance) C4'-P energy: -54.671
bonds (distance) P-C4' energy: -68.347
flat angles C4'-P-C4' energy: -41.951
flat angles P-C4'-P energy: -29.178
tors. eta vs tors. theta energy: 13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1134.167667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.167667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.167667 (E_RNA)
where:
Base-Base interactions energy: -773.843
where: short stacking energy: -325.405
Base-Backbone interact. energy: -0.176
local terms energy: -360.148300
where:
bonds (distance) C4'-P energy: -59.157
bonds (distance) P-C4' energy: -71.539
flat angles C4'-P-C4' energy: -75.176
flat angles P-C4'-P energy: -51.735
tors. eta vs tors. theta energy: -102.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1145.594078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.594078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.594078 (E_RNA)
where:
Base-Base interactions energy: -817.749
where: short stacking energy: -331.059
Base-Backbone interact. energy: -0.947
local terms energy: -326.897736
where:
bonds (distance) C4'-P energy: -57.579
bonds (distance) P-C4' energy: -56.665
flat angles C4'-P-C4' energy: -66.496
flat angles P-C4'-P energy: -44.726
tors. eta vs tors. theta energy: -101.431
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: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1034.698289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.698289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.698289 (E_RNA)
where:
Base-Base interactions energy: -690.796
where: short stacking energy: -297.906
Base-Backbone interact. energy: -1.694
local terms energy: -342.208745
where:
bonds (distance) C4'-P energy: -61.480
bonds (distance) P-C4' energy: -64.824
flat angles C4'-P-C4' energy: -74.177
flat angles P-C4'-P energy: -47.188
tors. eta vs tors. theta energy: -94.540
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: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -971.224554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.224554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.224554 (E_RNA)
where:
Base-Base interactions energy: -662.583
where: short stacking energy: -290.796
Base-Backbone interact. energy: 0.393
local terms energy: -309.557667
where:
bonds (distance) C4'-P energy: -62.165
bonds (distance) P-C4' energy: -55.822
flat angles C4'-P-C4' energy: -62.456
flat angles P-C4'-P energy: -42.410
tors. eta vs tors. theta energy: -86.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.524 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -742.811066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.811066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.811066 (E_RNA)
where:
Base-Base interactions energy: -464.168
where: short stacking energy: -206.902
Base-Backbone interact. energy: 1.458
local terms energy: -280.522763
where:
bonds (distance) C4'-P energy: -59.060
bonds (distance) P-C4' energy: -51.604
flat angles C4'-P-C4' energy: -62.810
flat angles P-C4'-P energy: -50.190
tors. eta vs tors. theta energy: -56.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -783.354594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.354594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.354594 (E_RNA)
where:
Base-Base interactions energy: -493.961
where: short stacking energy: -216.598
Base-Backbone interact. energy: -2.024
local terms energy: -287.821538
where:
bonds (distance) C4'-P energy: -65.112
bonds (distance) P-C4' energy: -67.484
flat angles C4'-P-C4' energy: -59.405
flat angles P-C4'-P energy: -39.250
tors. eta vs tors. theta energy: -56.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.453 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -660.798183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.798183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.798183 (E_RNA)
where:
Base-Base interactions energy: -420.278
where: short stacking energy: -191.609
Base-Backbone interact. energy: -0.068
local terms energy: -240.452335
where:
bonds (distance) C4'-P energy: -55.162
bonds (distance) P-C4' energy: -70.545
flat angles C4'-P-C4' energy: -57.122
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -38.054
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: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -536.054336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.054336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.054336 (E_RNA)
where:
Base-Base interactions energy: -300.232
where: short stacking energy: -169.488
Base-Backbone interact. energy: -1.682
local terms energy: -234.140534
where:
bonds (distance) C4'-P energy: -62.204
bonds (distance) P-C4' energy: -46.738
flat angles C4'-P-C4' energy: -62.083
flat angles P-C4'-P energy: -32.980
tors. eta vs tors. theta energy: -30.135
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: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -408.332387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.332387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.332387 (E_RNA)
where:
Base-Base interactions energy: -194.678
where: short stacking energy: -114.712
Base-Backbone interact. energy: 0.275
local terms energy: -213.929028
where:
bonds (distance) C4'-P energy: -53.988
bonds (distance) P-C4' energy: -59.040
flat angles C4'-P-C4' energy: -57.385
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -347.242448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.242448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.242448 (E_RNA)
where:
Base-Base interactions energy: -145.541
where: short stacking energy: -76.284
Base-Backbone interact. energy: -1.463
local terms energy: -200.238668
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -62.017
flat angles C4'-P-C4' energy: -60.363
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: 5.332
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: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1142.964410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.964410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.964410 (E_RNA)
where:
Base-Base interactions energy: -777.570
where: short stacking energy: -330.708
Base-Backbone interact. energy: -1.259
local terms energy: -364.135942
where:
bonds (distance) C4'-P energy: -63.725
bonds (distance) P-C4' energy: -66.552
flat angles C4'-P-C4' energy: -75.762
flat angles P-C4'-P energy: -55.444
tors. eta vs tors. theta energy: -102.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1098.166733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.166733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.166733 (E_RNA)
where:
Base-Base interactions energy: -756.920
where: short stacking energy: -298.813
Base-Backbone interact. energy: -0.924
local terms energy: -340.322103
where:
bonds (distance) C4'-P energy: -62.528
bonds (distance) P-C4' energy: -65.825
flat angles C4'-P-C4' energy: -71.038
flat angles P-C4'-P energy: -52.510
tors. eta vs tors. theta energy: -88.422
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: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1028.273282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.273282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.273282 (E_RNA)
where:
Base-Base interactions energy: -699.772
where: short stacking energy: -288.001
Base-Backbone interact. energy: -0.821
local terms energy: -327.679766
where:
bonds (distance) C4'-P energy: -69.005
bonds (distance) P-C4' energy: -56.143
flat angles C4'-P-C4' energy: -67.558
flat angles P-C4'-P energy: -44.175
tors. eta vs tors. theta energy: -90.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -954.423977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.423977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.423977 (E_RNA)
where:
Base-Base interactions energy: -628.683
where: short stacking energy: -266.449
Base-Backbone interact. energy: -0.064
local terms energy: -325.743763
where:
bonds (distance) C4'-P energy: -62.311
bonds (distance) P-C4' energy: -70.360
flat angles C4'-P-C4' energy: -64.045
flat angles P-C4'-P energy: -45.233
tors. eta vs tors. theta energy: -83.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -801.822429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.822429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.822429 (E_RNA)
where:
Base-Base interactions energy: -513.671
where: short stacking energy: -231.734
Base-Backbone interact. energy: -1.805
local terms energy: -287.314415
where:
bonds (distance) C4'-P energy: -59.321
bonds (distance) P-C4' energy: -70.677
flat angles C4'-P-C4' energy: -59.277
flat angles P-C4'-P energy: -38.231
tors. eta vs tors. theta energy: -59.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.969 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -760.480478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.480478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.480478 (E_RNA)
where:
Base-Base interactions energy: -477.851
where: short stacking energy: -220.241
Base-Backbone interact. energy: -0.518
local terms energy: -282.112035
where:
bonds (distance) C4'-P energy: -64.191
bonds (distance) P-C4' energy: -65.287
flat angles C4'-P-C4' energy: -57.308
flat angles P-C4'-P energy: -38.610
tors. eta vs tors. theta energy: -56.716
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: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -665.589314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.589314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.589314 (E_RNA)
where:
Base-Base interactions energy: -407.050
where: short stacking energy: -187.891
Base-Backbone interact. energy: -2.548
local terms energy: -255.991501
where:
bonds (distance) C4'-P energy: -55.672
bonds (distance) P-C4' energy: -62.295
flat angles C4'-P-C4' energy: -58.230
flat angles P-C4'-P energy: -36.829
tors. eta vs tors. theta energy: -42.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -539.764745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.764745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.764745 (E_RNA)
where:
Base-Base interactions energy: -317.229
where: short stacking energy: -148.097
Base-Backbone interact. energy: -1.390
local terms energy: -221.774459
where:
bonds (distance) C4'-P energy: -61.591
bonds (distance) P-C4' energy: -51.661
flat angles C4'-P-C4' energy: -68.663
flat angles P-C4'-P energy: -30.512
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.629 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -407.162461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.162461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.162461 (E_RNA)
where:
Base-Base interactions energy: -210.775
where: short stacking energy: -92.753
Base-Backbone interact. energy: -0.289
local terms energy: -196.098367
where:
bonds (distance) C4'-P energy: -67.260
bonds (distance) P-C4' energy: -45.170
flat angles C4'-P-C4' energy: -53.005
flat angles P-C4'-P energy: -31.628
tors. eta vs tors. theta energy: 0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -378.297254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.297254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.297254 (E_RNA)
where:
Base-Base interactions energy: -183.765
where: short stacking energy: -99.882
Base-Backbone interact. energy: -1.249
local terms energy: -193.283570
where:
bonds (distance) C4'-P energy: -53.842
bonds (distance) P-C4' energy: -67.603
flat angles C4'-P-C4' energy: -33.527
flat angles P-C4'-P energy: -35.927
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: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1134.625721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.625721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.625721 (E_RNA)
where:
Base-Base interactions energy: -777.612
where: short stacking energy: -335.435
Base-Backbone interact. energy: -1.077
local terms energy: -355.935825
where:
bonds (distance) C4'-P energy: -66.192
bonds (distance) P-C4' energy: -59.129
flat angles C4'-P-C4' energy: -74.953
flat angles P-C4'-P energy: -55.157
tors. eta vs tors. theta energy: -100.506
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: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1105.914877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.914877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.914877 (E_RNA)
where:
Base-Base interactions energy: -771.422
where: short stacking energy: -298.361
Base-Backbone interact. energy: -1.341
local terms energy: -333.152135
where:
bonds (distance) C4'-P energy: -64.253
bonds (distance) P-C4' energy: -66.886
flat angles C4'-P-C4' energy: -60.791
flat angles P-C4'-P energy: -51.568
tors. eta vs tors. theta energy: -89.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1027.661626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.661626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.661626 (E_RNA)
where:
Base-Base interactions energy: -685.172
where: short stacking energy: -294.872
Base-Backbone interact. energy: -3.078
local terms energy: -339.411702
where:
bonds (distance) C4'-P energy: -65.707
bonds (distance) P-C4' energy: -77.179
flat angles C4'-P-C4' energy: -59.559
flat angles P-C4'-P energy: -44.594
tors. eta vs tors. theta energy: -92.373
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: 393
Temperature: 1.050000
Total energy: -932.021720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.021720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.021720 (E_RNA)
where:
Base-Base interactions energy: -647.510
where: short stacking energy: -276.797
Base-Backbone interact. energy: -0.703
local terms energy: -284.813548
where:
bonds (distance) C4'-P energy: -53.228
bonds (distance) P-C4' energy: -59.640
flat angles C4'-P-C4' energy: -58.347
flat angles P-C4'-P energy: -41.062
tors. eta vs tors. theta energy: -72.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.005 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -760.711885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.711885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.711885 (E_RNA)
where:
Base-Base interactions energy: -501.604
where: short stacking energy: -211.367
Base-Backbone interact. energy: 4.541
local terms energy: -263.648477
where:
bonds (distance) C4'-P energy: -38.647
bonds (distance) P-C4' energy: -68.101
flat angles C4'-P-C4' energy: -61.796
flat angles P-C4'-P energy: -44.206
tors. eta vs tors. theta energy: -50.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -708.237690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.237690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.237690 (E_RNA)
where:
Base-Base interactions energy: -439.024
where: short stacking energy: -200.812
Base-Backbone interact. energy: -2.126
local terms energy: -267.087811
where:
bonds (distance) C4'-P energy: -58.527
bonds (distance) P-C4' energy: -66.433
flat angles C4'-P-C4' energy: -66.582
flat angles P-C4'-P energy: -37.860
tors. eta vs tors. theta energy: -37.686
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: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -657.252348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.252348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.252348 (E_RNA)
where:
Base-Base interactions energy: -402.527
where: short stacking energy: -181.364
Base-Backbone interact. energy: -1.458
local terms energy: -253.267819
where:
bonds (distance) C4'-P energy: -67.676
bonds (distance) P-C4' energy: -60.535
flat angles C4'-P-C4' energy: -51.881
flat angles P-C4'-P energy: -34.403
tors. eta vs tors. theta energy: -38.774
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: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -531.388890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.388890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.388890 (E_RNA)
where:
Base-Base interactions energy: -320.965
where: short stacking energy: -149.139
Base-Backbone interact. energy: 4.184
local terms energy: -214.608315
where:
bonds (distance) C4'-P energy: -63.862
bonds (distance) P-C4' energy: -55.040
flat angles C4'-P-C4' energy: -45.519
flat angles P-C4'-P energy: -35.562
tors. eta vs tors. theta energy: -14.625
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: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -395.281573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.281573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.281573 (E_RNA)
where:
Base-Base interactions energy: -194.895
where: short stacking energy: -127.977
Base-Backbone interact. energy: -1.496
local terms energy: -198.891025
where:
bonds (distance) C4'-P energy: -52.137
bonds (distance) P-C4' energy: -58.379
flat angles C4'-P-C4' energy: -42.671
flat angles P-C4'-P energy: -29.329
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -373.833256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.833256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.833256 (E_RNA)
where:
Base-Base interactions energy: -194.331
where: short stacking energy: -100.334
Base-Backbone interact. energy: -0.448
local terms energy: -179.054380
where:
bonds (distance) C4'-P energy: -49.959
bonds (distance) P-C4' energy: -47.863
flat angles C4'-P-C4' energy: -65.577
flat angles P-C4'-P energy: -22.374
tors. eta vs tors. theta energy: 6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1136.820719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.820719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.820719 (E_RNA)
where:
Base-Base interactions energy: -784.837
where: short stacking energy: -335.291
Base-Backbone interact. energy: -2.101
local terms energy: -349.882840
where:
bonds (distance) C4'-P energy: -61.518
bonds (distance) P-C4' energy: -59.019
flat angles C4'-P-C4' energy: -76.827
flat angles P-C4'-P energy: -56.519
tors. eta vs tors. theta energy: -95.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1151.983208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.983208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.983208 (E_RNA)
where:
Base-Base interactions energy: -803.496
where: short stacking energy: -328.231
Base-Backbone interact. energy: -1.597
local terms energy: -346.890703
where:
bonds (distance) C4'-P energy: -63.577
bonds (distance) P-C4' energy: -64.479
flat angles C4'-P-C4' energy: -67.868
flat angles P-C4'-P energy: -53.966
tors. eta vs tors. theta energy: -97.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1019.234080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.234080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.234080 (E_RNA)
where:
Base-Base interactions energy: -678.687
where: short stacking energy: -285.953
Base-Backbone interact. energy: -1.103
local terms energy: -339.443415
where:
bonds (distance) C4'-P energy: -59.953
bonds (distance) P-C4' energy: -65.867
flat angles C4'-P-C4' energy: -72.104
flat angles P-C4'-P energy: -53.572
tors. eta vs tors. theta energy: -87.947
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: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -938.554573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.554573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.554573 (E_RNA)
where:
Base-Base interactions energy: -617.937
where: short stacking energy: -269.154
Base-Backbone interact. energy: -0.249
local terms energy: -320.368807
where:
bonds (distance) C4'-P energy: -64.991
bonds (distance) P-C4' energy: -58.893
flat angles C4'-P-C4' energy: -62.882
flat angles P-C4'-P energy: -51.054
tors. eta vs tors. theta energy: -82.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -812.301255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.301255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.301255 (E_RNA)
where:
Base-Base interactions energy: -535.075
where: short stacking energy: -231.449
Base-Backbone interact. energy: -0.824
local terms energy: -277.425508
where:
bonds (distance) C4'-P energy: -65.374
bonds (distance) P-C4' energy: -60.470
flat angles C4'-P-C4' energy: -57.262
flat angles P-C4'-P energy: -29.900
tors. eta vs tors. theta energy: -64.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.024 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -714.933441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.933441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.933441 (E_RNA)
where:
Base-Base interactions energy: -462.238
where: short stacking energy: -213.559
Base-Backbone interact. energy: 0.676
local terms energy: -253.371734
where:
bonds (distance) C4'-P energy: -60.604
bonds (distance) P-C4' energy: -61.624
flat angles C4'-P-C4' energy: -50.419
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -48.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -684.998283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.998283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.998283 (E_RNA)
where:
Base-Base interactions energy: -417.250
where: short stacking energy: -185.572
Base-Backbone interact. energy: -0.192
local terms energy: -267.556395
where:
bonds (distance) C4'-P energy: -57.621
bonds (distance) P-C4' energy: -61.858
flat angles C4'-P-C4' energy: -67.294
flat angles P-C4'-P energy: -32.957
tors. eta vs tors. theta energy: -47.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -526.070501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.070501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.070501 (E_RNA)
where:
Base-Base interactions energy: -319.937
where: short stacking energy: -150.650
Base-Backbone interact. energy: -0.848
local terms energy: -205.286006
where:
bonds (distance) C4'-P energy: -52.797
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -59.083
flat angles P-C4'-P energy: -32.181
tors. eta vs tors. theta energy: -11.098
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: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -415.787807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.787807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.787807 (E_RNA)
where:
Base-Base interactions energy: -208.809
where: short stacking energy: -119.047
Base-Backbone interact. energy: -1.379
local terms energy: -205.599397
where:
bonds (distance) C4'-P energy: -45.255
bonds (distance) P-C4' energy: -58.497
flat angles C4'-P-C4' energy: -50.980
flat angles P-C4'-P energy: -35.015
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -398.503241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.503241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.503241 (E_RNA)
where:
Base-Base interactions energy: -192.575
where: short stacking energy: -114.641
Base-Backbone interact. energy: -1.080
local terms energy: -204.848771
where:
bonds (distance) C4'-P energy: -55.980
bonds (distance) P-C4' energy: -64.904
flat angles C4'-P-C4' energy: -38.971
flat angles P-C4'-P energy: -37.736
tors. eta vs tors. theta energy: -7.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1134.415401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.415401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.415401 (E_RNA)
where:
Base-Base interactions energy: -774.767
where: short stacking energy: -309.926
Base-Backbone interact. energy: -0.322
local terms energy: -359.326199
where:
bonds (distance) C4'-P energy: -68.026
bonds (distance) P-C4' energy: -69.251
flat angles C4'-P-C4' energy: -72.323
flat angles P-C4'-P energy: -52.264
tors. eta vs tors. theta energy: -97.462
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: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1152.210947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.210947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.210947 (E_RNA)
where:
Base-Base interactions energy: -774.002
where: short stacking energy: -303.943
Base-Backbone interact. energy: -0.599
local terms energy: -377.609966
where:
bonds (distance) C4'-P energy: -64.889
bonds (distance) P-C4' energy: -76.574
flat angles C4'-P-C4' energy: -73.889
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: -98.985
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: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1029.262161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.262161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.262161 (E_RNA)
where:
Base-Base interactions energy: -689.695
where: short stacking energy: -280.132
Base-Backbone interact. energy: -0.360
local terms energy: -339.207655
where:
bonds (distance) C4'-P energy: -68.774
bonds (distance) P-C4' energy: -60.479
flat angles C4'-P-C4' energy: -74.235
flat angles P-C4'-P energy: -41.348
tors. eta vs tors. theta energy: -94.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -961.535062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.535062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.535062 (E_RNA)
where:
Base-Base interactions energy: -648.737
where: short stacking energy: -282.611
Base-Backbone interact. energy: 1.328
local terms energy: -314.332132
where:
bonds (distance) C4'-P energy: -62.478
bonds (distance) P-C4' energy: -54.615
flat angles C4'-P-C4' energy: -69.276
flat angles P-C4'-P energy: -41.441
tors. eta vs tors. theta energy: -86.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.206 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -847.868781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.868781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.868781 (E_RNA)
where:
Base-Base interactions energy: -546.399
where: short stacking energy: -227.910
Base-Backbone interact. energy: -1.218
local terms energy: -300.515708
where:
bonds (distance) C4'-P energy: -62.440
bonds (distance) P-C4' energy: -69.701
flat angles C4'-P-C4' energy: -72.821
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -54.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.264 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -743.089204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.089204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.089204 (E_RNA)
where:
Base-Base interactions energy: -470.885
where: short stacking energy: -190.610
Base-Backbone interact. energy: 1.347
local terms energy: -273.551209
where:
bonds (distance) C4'-P energy: -59.506
bonds (distance) P-C4' energy: -61.832
flat angles C4'-P-C4' energy: -51.824
flat angles P-C4'-P energy: -46.448
tors. eta vs tors. theta energy: -53.941
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: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -722.379694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.379694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.379694 (E_RNA)
where:
Base-Base interactions energy: -457.066
where: short stacking energy: -189.681
Base-Backbone interact. energy: -0.748
local terms energy: -264.565520
where:
bonds (distance) C4'-P energy: -46.373
bonds (distance) P-C4' energy: -59.695
flat angles C4'-P-C4' energy: -72.565
flat angles P-C4'-P energy: -38.526
tors. eta vs tors. theta energy: -47.407
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: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -553.729705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.729705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.729705 (E_RNA)
where:
Base-Base interactions energy: -326.729
where: short stacking energy: -165.300
Base-Backbone interact. energy: -0.380
local terms energy: -226.620005
where:
bonds (distance) C4'-P energy: -59.247
bonds (distance) P-C4' energy: -45.676
flat angles C4'-P-C4' energy: -58.385
flat angles P-C4'-P energy: -31.544
tors. eta vs tors. theta energy: -31.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -437.292847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.292847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.292847 (E_RNA)
where:
Base-Base interactions energy: -235.567
where: short stacking energy: -123.904
Base-Backbone interact. energy: -0.526
local terms energy: -201.199972
where:
bonds (distance) C4'-P energy: -47.754
bonds (distance) P-C4' energy: -55.198
flat angles C4'-P-C4' energy: -51.166
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -23.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -413.529322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.529322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.529322 (E_RNA)
where:
Base-Base interactions energy: -223.081
where: short stacking energy: -95.555
Base-Backbone interact. energy: -1.082
local terms energy: -189.366224
where:
bonds (distance) C4'-P energy: -56.019
bonds (distance) P-C4' energy: -58.220
flat angles C4'-P-C4' energy: -35.365
flat angles P-C4'-P energy: -33.568
tors. eta vs tors. theta energy: -6.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1171.667189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.667189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.667189 (E_RNA)
where:
Base-Base interactions energy: -817.909
where: short stacking energy: -315.675
Base-Backbone interact. energy: -1.027
local terms energy: -352.731362
where:
bonds (distance) C4'-P energy: -71.159
bonds (distance) P-C4' energy: -68.588
flat angles C4'-P-C4' energy: -72.334
flat angles P-C4'-P energy: -51.518
tors. eta vs tors. theta energy: -89.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1111.301896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.301896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.301896 (E_RNA)
where:
Base-Base interactions energy: -752.601
where: short stacking energy: -320.841
Base-Backbone interact. energy: -1.612
local terms energy: -357.088223
where:
bonds (distance) C4'-P energy: -72.897
bonds (distance) P-C4' energy: -57.316
flat angles C4'-P-C4' energy: -74.175
flat angles P-C4'-P energy: -47.660
tors. eta vs tors. theta energy: -105.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -977.062723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.062723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.062723 (E_RNA)
where:
Base-Base interactions energy: -655.186
where: short stacking energy: -283.982
Base-Backbone interact. energy: -0.343
local terms energy: -321.533943
where:
bonds (distance) C4'-P energy: -60.003
bonds (distance) P-C4' energy: -65.971
flat angles C4'-P-C4' energy: -66.624
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -88.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1001.698694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.698694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.698694 (E_RNA)
where:
Base-Base interactions energy: -670.564
where: short stacking energy: -280.923
Base-Backbone interact. energy: -0.209
local terms energy: -330.926191
where:
bonds (distance) C4'-P energy: -57.802
bonds (distance) P-C4' energy: -70.379
flat angles C4'-P-C4' energy: -70.344
flat angles P-C4'-P energy: -50.493
tors. eta vs tors. theta energy: -81.908
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: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -825.612128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.612128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.612128 (E_RNA)
where:
Base-Base interactions energy: -535.624
where: short stacking energy: -239.779
Base-Backbone interact. energy: 5.107
local terms energy: -295.095130
where:
bonds (distance) C4'-P energy: -48.471
bonds (distance) P-C4' energy: -67.229
flat angles C4'-P-C4' energy: -71.380
flat angles P-C4'-P energy: -43.488
tors. eta vs tors. theta energy: -64.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -715.783263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.783263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.783263 (E_RNA)
where:
Base-Base interactions energy: -442.758
where: short stacking energy: -219.126
Base-Backbone interact. energy: -1.943
local terms energy: -271.081984
where:
bonds (distance) C4'-P energy: -53.778
bonds (distance) P-C4' energy: -58.086
flat angles C4'-P-C4' energy: -65.506
flat angles P-C4'-P energy: -38.872
tors. eta vs tors. theta energy: -54.839
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: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -690.561376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.561376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.561376 (E_RNA)
where:
Base-Base interactions energy: -438.877
where: short stacking energy: -202.359
Base-Backbone interact. energy: 0.429
local terms energy: -252.112849
where:
bonds (distance) C4'-P energy: -50.987
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -68.665
flat angles P-C4'-P energy: -40.910
tors. eta vs tors. theta energy: -39.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -532.321288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.321288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.321288 (E_RNA)
where:
Base-Base interactions energy: -307.670
where: short stacking energy: -154.149
Base-Backbone interact. energy: 3.902
local terms energy: -228.552962
where:
bonds (distance) C4'-P energy: -70.947
bonds (distance) P-C4' energy: -48.401
flat angles C4'-P-C4' energy: -48.977
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -24.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -424.827564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.827564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.827564 (E_RNA)
where:
Base-Base interactions energy: -210.743
where: short stacking energy: -103.396
Base-Backbone interact. energy: -1.407
local terms energy: -212.676962
where:
bonds (distance) C4'-P energy: -57.639
bonds (distance) P-C4' energy: -64.498
flat angles C4'-P-C4' energy: -50.362
flat angles P-C4'-P energy: -24.215
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -351.329685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.329685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.329685 (E_RNA)
where:
Base-Base interactions energy: -155.130
where: short stacking energy: -102.237
Base-Backbone interact. energy: 4.368
local terms energy: -200.568205
where:
bonds (distance) C4'-P energy: -48.786
bonds (distance) P-C4' energy: -68.120
flat angles C4'-P-C4' energy: -59.646
flat angles P-C4'-P energy: -27.955
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: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1164.143555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.143555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.143555 (E_RNA)
where:
Base-Base interactions energy: -792.621
where: short stacking energy: -307.101
Base-Backbone interact. energy: 0.053
local terms energy: -371.574836
where:
bonds (distance) C4'-P energy: -70.772
bonds (distance) P-C4' energy: -80.472
flat angles C4'-P-C4' energy: -68.414
flat angles P-C4'-P energy: -56.093
tors. eta vs tors. theta energy: -95.823
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: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1092.061819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.061819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.061819 (E_RNA)
where:
Base-Base interactions energy: -731.453
where: short stacking energy: -310.546
Base-Backbone interact. energy: 2.022
local terms energy: -362.630508
where:
bonds (distance) C4'-P energy: -64.086
bonds (distance) P-C4' energy: -66.785
flat angles C4'-P-C4' energy: -81.712
flat angles P-C4'-P energy: -46.821
tors. eta vs tors. theta energy: -103.228
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: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -990.595794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.595794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.595794 (E_RNA)
where:
Base-Base interactions energy: -650.919
where: short stacking energy: -263.697
Base-Backbone interact. energy: -1.232
local terms energy: -338.445372
where:
bonds (distance) C4'-P energy: -68.149
bonds (distance) P-C4' energy: -74.737
flat angles C4'-P-C4' energy: -64.035
flat angles P-C4'-P energy: -49.130
tors. eta vs tors. theta energy: -82.394
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: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -960.730465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.730465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.730465 (E_RNA)
where:
Base-Base interactions energy: -642.540
where: short stacking energy: -258.531
Base-Backbone interact. energy: 0.110
local terms energy: -318.300453
where:
bonds (distance) C4'-P energy: -65.321
bonds (distance) P-C4' energy: -70.244
flat angles C4'-P-C4' energy: -67.493
flat angles P-C4'-P energy: -43.399
tors. eta vs tors. theta energy: -71.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -805.953133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.953133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.953133 (E_RNA)
where:
Base-Base interactions energy: -527.523
where: short stacking energy: -222.983
Base-Backbone interact. energy: -2.005
local terms energy: -276.547400
where:
bonds (distance) C4'-P energy: -53.411
bonds (distance) P-C4' energy: -62.075
flat angles C4'-P-C4' energy: -70.372
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: -49.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.122 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -733.040226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.040226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.040226 (E_RNA)
where:
Base-Base interactions energy: -447.400
where: short stacking energy: -208.157
Base-Backbone interact. energy: -0.980
local terms energy: -284.660842
where:
bonds (distance) C4'-P energy: -68.359
bonds (distance) P-C4' energy: -62.170
flat angles C4'-P-C4' energy: -62.150
flat angles P-C4'-P energy: -39.021
tors. eta vs tors. theta energy: -52.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -718.770818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.770818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.770818 (E_RNA)
where:
Base-Base interactions energy: -434.912
where: short stacking energy: -184.031
Base-Backbone interact. energy: -0.336
local terms energy: -283.523158
where:
bonds (distance) C4'-P energy: -64.172
bonds (distance) P-C4' energy: -71.553
flat angles C4'-P-C4' energy: -62.505
flat angles P-C4'-P energy: -38.878
tors. eta vs tors. theta energy: -46.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -539.307338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.307338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.307338 (E_RNA)
where:
Base-Base interactions energy: -303.180
where: short stacking energy: -157.798
Base-Backbone interact. energy: 0.654
local terms energy: -237.641330
where:
bonds (distance) C4'-P energy: -53.379
bonds (distance) P-C4' energy: -59.205
flat angles C4'-P-C4' energy: -54.789
flat angles P-C4'-P energy: -40.440
tors. eta vs tors. theta energy: -29.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.860 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -433.709158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.709158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.709158 (E_RNA)
where:
Base-Base interactions energy: -237.628
where: short stacking energy: -124.432
Base-Backbone interact. energy: -2.346
local terms energy: -193.734737
where:
bonds (distance) C4'-P energy: -42.711
bonds (distance) P-C4' energy: -66.914
flat angles C4'-P-C4' energy: -49.868
flat angles P-C4'-P energy: -31.935
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -348.941385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.941385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.941385 (E_RNA)
where:
Base-Base interactions energy: -144.726
where: short stacking energy: -82.581
Base-Backbone interact. energy: -1.770
local terms energy: -202.446087
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -62.273
flat angles C4'-P-C4' energy: -64.697
flat angles P-C4'-P energy: -26.889
tors. eta vs tors. theta energy: 9.489
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: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1134.004257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.004257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.004257 (E_RNA)
where:
Base-Base interactions energy: -777.686
where: short stacking energy: -317.196
Base-Backbone interact. energy: 0.006
local terms energy: -356.324254
where:
bonds (distance) C4'-P energy: -58.312
bonds (distance) P-C4' energy: -60.906
flat angles C4'-P-C4' energy: -80.003
flat angles P-C4'-P energy: -57.502
tors. eta vs tors. theta energy: -99.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1102.757250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.757250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.757250 (E_RNA)
where:
Base-Base interactions energy: -759.685
where: short stacking energy: -301.152
Base-Backbone interact. energy: -1.602
local terms energy: -341.469401
where:
bonds (distance) C4'-P energy: -63.669
bonds (distance) P-C4' energy: -63.537
flat angles C4'-P-C4' energy: -73.268
flat angles P-C4'-P energy: -46.496
tors. eta vs tors. theta energy: -94.500
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: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -957.791497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.791497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.791497 (E_RNA)
where:
Base-Base interactions energy: -620.078
where: short stacking energy: -275.464
Base-Backbone interact. energy: -1.769
local terms energy: -335.944327
where:
bonds (distance) C4'-P energy: -60.784
bonds (distance) P-C4' energy: -66.377
flat angles C4'-P-C4' energy: -65.835
flat angles P-C4'-P energy: -56.357
tors. eta vs tors. theta energy: -86.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -995.945401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.945401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.945401 (E_RNA)
where:
Base-Base interactions energy: -673.192
where: short stacking energy: -301.228
Base-Backbone interact. energy: -0.307
local terms energy: -322.446268
where:
bonds (distance) C4'-P energy: -59.578
bonds (distance) P-C4' energy: -62.864
flat angles C4'-P-C4' energy: -76.896
flat angles P-C4'-P energy: -36.825
tors. eta vs tors. theta energy: -86.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -758.588995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.588995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.588995 (E_RNA)
where:
Base-Base interactions energy: -473.320
where: short stacking energy: -210.068
Base-Backbone interact. energy: 0.767
local terms energy: -286.036224
where:
bonds (distance) C4'-P energy: -69.022
bonds (distance) P-C4' energy: -73.171
flat angles C4'-P-C4' energy: -60.461
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -40.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -767.181118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.181118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.181118 (E_RNA)
where:
Base-Base interactions energy: -486.160
where: short stacking energy: -200.664
Base-Backbone interact. energy: -2.698
local terms energy: -278.323249
where:
bonds (distance) C4'-P energy: -59.110
bonds (distance) P-C4' energy: -66.062
flat angles C4'-P-C4' energy: -59.658
flat angles P-C4'-P energy: -44.206
tors. eta vs tors. theta energy: -49.288
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: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -629.212242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.212242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.212242 (E_RNA)
where:
Base-Base interactions energy: -381.816
where: short stacking energy: -189.565
Base-Backbone interact. energy: 0.319
local terms energy: -247.714967
where:
bonds (distance) C4'-P energy: -59.842
bonds (distance) P-C4' energy: -58.591
flat angles C4'-P-C4' energy: -59.719
flat angles P-C4'-P energy: -35.279
tors. eta vs tors. theta energy: -34.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -532.957709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.957709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.957709 (E_RNA)
where:
Base-Base interactions energy: -339.209
where: short stacking energy: -157.234
Base-Backbone interact. energy: 0.899
local terms energy: -194.648203
where:
bonds (distance) C4'-P energy: -49.430
bonds (distance) P-C4' energy: -37.561
flat angles C4'-P-C4' energy: -49.325
flat angles P-C4'-P energy: -31.421
tors. eta vs tors. theta energy: -26.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -436.878731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.878731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.878731 (E_RNA)
where:
Base-Base interactions energy: -238.415
where: short stacking energy: -124.742
Base-Backbone interact. energy: -1.529
local terms energy: -196.934968
where:
bonds (distance) C4'-P energy: -53.296
bonds (distance) P-C4' energy: -56.449
flat angles C4'-P-C4' energy: -51.924
flat angles P-C4'-P energy: -21.943
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -336.865043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.865043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.865043 (E_RNA)
where:
Base-Base interactions energy: -150.271
where: short stacking energy: -98.967
Base-Backbone interact. energy: -0.231
local terms energy: -186.362817
where:
bonds (distance) C4'-P energy: -47.727
bonds (distance) P-C4' energy: -53.535
flat angles C4'-P-C4' energy: -66.084
flat angles P-C4'-P energy: -29.048
tors. eta vs tors. theta energy: 10.032
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: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1127.915370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.915370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.915370 (E_RNA)
where:
Base-Base interactions energy: -787.438
where: short stacking energy: -308.558
Base-Backbone interact. energy: 3.361
local terms energy: -343.838064
where:
bonds (distance) C4'-P energy: -60.504
bonds (distance) P-C4' energy: -68.879
flat angles C4'-P-C4' energy: -73.204
flat angles P-C4'-P energy: -43.634
tors. eta vs tors. theta energy: -97.617
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: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1121.488853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.488853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.488853 (E_RNA)
where:
Base-Base interactions energy: -754.177
where: short stacking energy: -315.097
Base-Backbone interact. energy: 1.999
local terms energy: -369.310769
where:
bonds (distance) C4'-P energy: -70.543
bonds (distance) P-C4' energy: -63.377
flat angles C4'-P-C4' energy: -76.825
flat angles P-C4'-P energy: -55.776
tors. eta vs tors. theta energy: -102.790
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: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -948.989874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.989874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.989874 (E_RNA)
where:
Base-Base interactions energy: -636.235
where: short stacking energy: -261.560
Base-Backbone interact. energy: 0.521
local terms energy: -313.275750
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -69.905
flat angles C4'-P-C4' energy: -64.527
flat angles P-C4'-P energy: -50.270
tors. eta vs tors. theta energy: -78.168
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: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -984.193099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.193099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.193099 (E_RNA)
where:
Base-Base interactions energy: -667.761
where: short stacking energy: -280.522
Base-Backbone interact. energy: -0.238
local terms energy: -316.193628
where:
bonds (distance) C4'-P energy: -65.964
bonds (distance) P-C4' energy: -53.350
flat angles C4'-P-C4' energy: -64.139
flat angles P-C4'-P energy: -45.663
tors. eta vs tors. theta energy: -87.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -722.087676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.087676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.087676 (E_RNA)
where:
Base-Base interactions energy: -444.872
where: short stacking energy: -216.553
Base-Backbone interact. energy: -0.847
local terms energy: -276.368377
where:
bonds (distance) C4'-P energy: -59.262
bonds (distance) P-C4' energy: -59.140
flat angles C4'-P-C4' energy: -60.270
flat angles P-C4'-P energy: -44.552
tors. eta vs tors. theta energy: -53.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -817.770997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.770997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.770997 (E_RNA)
where:
Base-Base interactions energy: -535.436
where: short stacking energy: -223.754
Base-Backbone interact. energy: -1.128
local terms energy: -281.207388
where:
bonds (distance) C4'-P energy: -56.523
bonds (distance) P-C4' energy: -66.321
flat angles C4'-P-C4' energy: -59.138
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -65.050
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: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -623.048839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.048839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.048839 (E_RNA)
where:
Base-Base interactions energy: -357.370
where: short stacking energy: -186.238
Base-Backbone interact. energy: -0.335
local terms energy: -265.343790
where:
bonds (distance) C4'-P energy: -57.092
bonds (distance) P-C4' energy: -68.013
flat angles C4'-P-C4' energy: -51.953
flat angles P-C4'-P energy: -50.971
tors. eta vs tors. theta energy: -37.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -549.942817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.942817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.942817 (E_RNA)
where:
Base-Base interactions energy: -339.697
where: short stacking energy: -164.632
Base-Backbone interact. energy: -0.055
local terms energy: -213.839661
where:
bonds (distance) C4'-P energy: -59.774
bonds (distance) P-C4' energy: -47.858
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -28.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.649 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -412.802488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.802488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.802488 (E_RNA)
where:
Base-Base interactions energy: -209.462
where: short stacking energy: -101.619
Base-Backbone interact. energy: -1.493
local terms energy: -201.846744
where:
bonds (distance) C4'-P energy: -58.622
bonds (distance) P-C4' energy: -62.510
flat angles C4'-P-C4' energy: -51.480
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -7.669
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: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -409.465519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.465519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.465519 (E_RNA)
where:
Base-Base interactions energy: -229.222
where: short stacking energy: -120.651
Base-Backbone interact. energy: -0.147
local terms energy: -180.096113
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -55.596
flat angles C4'-P-C4' energy: -42.099
flat angles P-C4'-P energy: -27.926
tors. eta vs tors. theta energy: -7.213
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: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1130.103589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.103589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.103589 (E_RNA)
where:
Base-Base interactions energy: -762.672
where: short stacking energy: -308.301
Base-Backbone interact. energy: -1.503
local terms energy: -365.928388
where:
bonds (distance) C4'-P energy: -69.792
bonds (distance) P-C4' energy: -63.899
flat angles C4'-P-C4' energy: -76.315
flat angles P-C4'-P energy: -51.223
tors. eta vs tors. theta energy: -104.699
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: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1126.215399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.215399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.215399 (E_RNA)
where:
Base-Base interactions energy: -766.631
where: short stacking energy: -328.040
Base-Backbone interact. energy: 4.472
local terms energy: -364.055555
where:
bonds (distance) C4'-P energy: -59.804
bonds (distance) P-C4' energy: -64.300
flat angles C4'-P-C4' energy: -78.441
flat angles P-C4'-P energy: -53.167
tors. eta vs tors. theta energy: -108.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1012.207114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.207114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.207114 (E_RNA)
where:
Base-Base interactions energy: -682.494
where: short stacking energy: -253.072
Base-Backbone interact. energy: -1.834
local terms energy: -327.878724
where:
bonds (distance) C4'-P energy: -62.802
bonds (distance) P-C4' energy: -67.559
flat angles C4'-P-C4' energy: -73.063
flat angles P-C4'-P energy: -44.316
tors. eta vs tors. theta energy: -80.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -923.944954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.944954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.944954 (E_RNA)
where:
Base-Base interactions energy: -604.718
where: short stacking energy: -266.409
Base-Backbone interact. energy: 0.889
local terms energy: -320.115734
where:
bonds (distance) C4'-P energy: -65.606
bonds (distance) P-C4' energy: -68.335
flat angles C4'-P-C4' energy: -67.660
flat angles P-C4'-P energy: -43.310
tors. eta vs tors. theta energy: -75.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -883.665922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.665922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.665922 (E_RNA)
where:
Base-Base interactions energy: -585.421
where: short stacking energy: -264.115
Base-Backbone interact. energy: -0.711
local terms energy: -297.533693
where:
bonds (distance) C4'-P energy: -60.919
bonds (distance) P-C4' energy: -64.154
flat angles C4'-P-C4' energy: -51.843
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -83.845
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: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -691.381876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.381876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.381876 (E_RNA)
where:
Base-Base interactions energy: -441.652
where: short stacking energy: -185.447
Base-Backbone interact. energy: 1.200
local terms energy: -250.929375
where:
bonds (distance) C4'-P energy: -65.780
bonds (distance) P-C4' energy: -55.100
flat angles C4'-P-C4' energy: -55.689
flat angles P-C4'-P energy: -42.271
tors. eta vs tors. theta energy: -32.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -611.387717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.387717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.387717 (E_RNA)
where:
Base-Base interactions energy: -377.832
where: short stacking energy: -186.113
Base-Backbone interact. energy: -1.041
local terms energy: -232.514714
where:
bonds (distance) C4'-P energy: -49.443
bonds (distance) P-C4' energy: -51.677
flat angles C4'-P-C4' energy: -49.594
flat angles P-C4'-P energy: -45.833
tors. eta vs tors. theta energy: -35.968
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: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -484.276684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.276684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.276684 (E_RNA)
where:
Base-Base interactions energy: -265.902
where: short stacking energy: -136.489
Base-Backbone interact. energy: 1.502
local terms energy: -219.876810
where:
bonds (distance) C4'-P energy: -58.742
bonds (distance) P-C4' energy: -54.419
flat angles C4'-P-C4' energy: -55.057
flat angles P-C4'-P energy: -33.664
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -417.323646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.323646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.323646 (E_RNA)
where:
Base-Base interactions energy: -210.549
where: short stacking energy: -115.255
Base-Backbone interact. energy: 1.318
local terms energy: -208.092093
where:
bonds (distance) C4'-P energy: -53.559
bonds (distance) P-C4' energy: -58.379
flat angles C4'-P-C4' energy: -44.017
flat angles P-C4'-P energy: -35.333
tors. eta vs tors. theta energy: -16.804
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: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -384.373114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.373114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.373114 (E_RNA)
where:
Base-Base interactions energy: -184.647
where: short stacking energy: -113.871
Base-Backbone interact. energy: -0.794
local terms energy: -198.931708
where:
bonds (distance) C4'-P energy: -48.482
bonds (distance) P-C4' energy: -53.994
flat angles C4'-P-C4' energy: -58.010
flat angles P-C4'-P energy: -30.939
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1148.105859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.105859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.105859 (E_RNA)
where:
Base-Base interactions energy: -797.613
where: short stacking energy: -311.405
Base-Backbone interact. energy: -0.549
local terms energy: -349.943499
where:
bonds (distance) C4'-P energy: -56.050
bonds (distance) P-C4' energy: -71.095
flat angles C4'-P-C4' energy: -80.141
flat angles P-C4'-P energy: -45.864
tors. eta vs tors. theta energy: -96.794
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: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1108.300460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.300460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.300460 (E_RNA)
where:
Base-Base interactions energy: -756.924
where: short stacking energy: -304.312
Base-Backbone interact. energy: 0.035
local terms energy: -351.411262
where:
bonds (distance) C4'-P energy: -59.400
bonds (distance) P-C4' energy: -66.818
flat angles C4'-P-C4' energy: -78.063
flat angles P-C4'-P energy: -43.127
tors. eta vs tors. theta energy: -104.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1027.419171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.419171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.419171 (E_RNA)
where:
Base-Base interactions energy: -691.163
where: short stacking energy: -295.364
Base-Backbone interact. energy: -0.178
local terms energy: -336.078147
where:
bonds (distance) C4'-P energy: -64.402
bonds (distance) P-C4' energy: -66.254
flat angles C4'-P-C4' energy: -69.059
flat angles P-C4'-P energy: -43.190
tors. eta vs tors. theta energy: -93.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -930.996105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.996105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.996105 (E_RNA)
where:
Base-Base interactions energy: -608.606
where: short stacking energy: -253.290
Base-Backbone interact. energy: -1.646
local terms energy: -320.743314
where:
bonds (distance) C4'-P energy: -64.736
bonds (distance) P-C4' energy: -65.423
flat angles C4'-P-C4' energy: -66.875
flat angles P-C4'-P energy: -49.969
tors. eta vs tors. theta energy: -73.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -888.820293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.820293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.820293 (E_RNA)
where:
Base-Base interactions energy: -593.160
where: short stacking energy: -260.492
Base-Backbone interact. energy: -1.435
local terms energy: -294.224644
where:
bonds (distance) C4'-P energy: -56.998
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -70.497
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: -67.244
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: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -699.620032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.620032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.620032 (E_RNA)
where:
Base-Base interactions energy: -432.381
where: short stacking energy: -206.655
Base-Backbone interact. energy: -0.047
local terms energy: -267.191713
where:
bonds (distance) C4'-P energy: -48.174
bonds (distance) P-C4' energy: -60.418
flat angles C4'-P-C4' energy: -62.833
flat angles P-C4'-P energy: -41.692
tors. eta vs tors. theta energy: -54.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -604.463497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.463497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.463497 (E_RNA)
where:
Base-Base interactions energy: -371.527
where: short stacking energy: -160.217
Base-Backbone interact. energy: 0.429
local terms energy: -233.366367
where:
bonds (distance) C4'-P energy: -50.212
bonds (distance) P-C4' energy: -66.266
flat angles C4'-P-C4' energy: -62.786
flat angles P-C4'-P energy: -33.079
tors. eta vs tors. theta energy: -21.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -456.549091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.549091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.549091 (E_RNA)
where:
Base-Base interactions energy: -244.288
where: short stacking energy: -132.370
Base-Backbone interact. energy: -0.842
local terms energy: -211.419071
where:
bonds (distance) C4'-P energy: -56.016
bonds (distance) P-C4' energy: -59.013
flat angles C4'-P-C4' energy: -51.278
flat angles P-C4'-P energy: -27.548
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -448.975495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.975495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.975495 (E_RNA)
where:
Base-Base interactions energy: -250.871
where: short stacking energy: -117.404
Base-Backbone interact. energy: -0.465
local terms energy: -197.638870
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -59.680
flat angles C4'-P-C4' energy: -49.072
flat angles P-C4'-P energy: -36.594
tors. eta vs tors. theta energy: 3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -328.151679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.151679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.151679 (E_RNA)
where:
Base-Base interactions energy: -137.468
where: short stacking energy: -81.567
Base-Backbone interact. energy: -0.397
local terms energy: -190.286907
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -65.115
flat angles C4'-P-C4' energy: -52.455
flat angles P-C4'-P energy: -31.727
tors. eta vs tors. theta energy: 6.562
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: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1156.161894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.161894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.161894 (E_RNA)
where:
Base-Base interactions energy: -778.046
where: short stacking energy: -313.429
Base-Backbone interact. energy: -0.330
local terms energy: -377.785775
where:
bonds (distance) C4'-P energy: -76.090
bonds (distance) P-C4' energy: -72.858
flat angles C4'-P-C4' energy: -72.138
flat angles P-C4'-P energy: -54.292
tors. eta vs tors. theta energy: -102.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1124.130821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.130821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.130821 (E_RNA)
where:
Base-Base interactions energy: -762.827
where: short stacking energy: -326.745
Base-Backbone interact. energy: -1.021
local terms energy: -360.282901
where:
bonds (distance) C4'-P energy: -56.043
bonds (distance) P-C4' energy: -72.797
flat angles C4'-P-C4' energy: -75.262
flat angles P-C4'-P energy: -45.895
tors. eta vs tors. theta energy: -110.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1033.528295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.528295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.528295 (E_RNA)
where:
Base-Base interactions energy: -693.725
where: short stacking energy: -287.352
Base-Backbone interact. energy: -0.805
local terms energy: -338.998227
where:
bonds (distance) C4'-P energy: -60.537
bonds (distance) P-C4' energy: -67.005
flat angles C4'-P-C4' energy: -70.744
flat angles P-C4'-P energy: -54.481
tors. eta vs tors. theta energy: -86.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -923.175512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.175512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.175512 (E_RNA)
where:
Base-Base interactions energy: -607.477
where: short stacking energy: -256.855
Base-Backbone interact. energy: 0.591
local terms energy: -316.320241
where:
bonds (distance) C4'-P energy: -62.529
bonds (distance) P-C4' energy: -61.928
flat angles C4'-P-C4' energy: -59.452
flat angles P-C4'-P energy: -56.277
tors. eta vs tors. theta energy: -76.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -855.547736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.547736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.547736 (E_RNA)
where:
Base-Base interactions energy: -552.326
where: short stacking energy: -244.751
Base-Backbone interact. energy: 0.376
local terms energy: -303.598258
where:
bonds (distance) C4'-P energy: -54.044
bonds (distance) P-C4' energy: -66.880
flat angles C4'-P-C4' energy: -66.099
flat angles P-C4'-P energy: -44.890
tors. eta vs tors. theta energy: -71.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -676.309594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.309594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.309594 (E_RNA)
where:
Base-Base interactions energy: -414.868
where: short stacking energy: -199.274
Base-Backbone interact. energy: -1.341
local terms energy: -260.100764
where:
bonds (distance) C4'-P energy: -60.023
bonds (distance) P-C4' energy: -64.963
flat angles C4'-P-C4' energy: -62.241
flat angles P-C4'-P energy: -38.754
tors. eta vs tors. theta energy: -34.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -638.896109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.896109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.896109 (E_RNA)
where:
Base-Base interactions energy: -395.496
where: short stacking energy: -197.954
Base-Backbone interact. energy: -0.291
local terms energy: -243.109385
where:
bonds (distance) C4'-P energy: -61.093
bonds (distance) P-C4' energy: -50.802
flat angles C4'-P-C4' energy: -56.218
flat angles P-C4'-P energy: -32.986
tors. eta vs tors. theta energy: -42.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -451.551432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.551432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.551432 (E_RNA)
where:
Base-Base interactions energy: -242.999
where: short stacking energy: -140.619
Base-Backbone interact. energy: 0.844
local terms energy: -209.396807
where:
bonds (distance) C4'-P energy: -45.243
bonds (distance) P-C4' energy: -48.179
flat angles C4'-P-C4' energy: -58.148
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -30.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -429.521190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.521190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.521190 (E_RNA)
where:
Base-Base interactions energy: -245.440
where: short stacking energy: -134.248
Base-Backbone interact. energy: -1.318
local terms energy: -182.762430
where:
bonds (distance) C4'-P energy: -47.233
bonds (distance) P-C4' energy: -41.791
flat angles C4'-P-C4' energy: -48.291
flat angles P-C4'-P energy: -26.922
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: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -352.093599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.093599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.093599 (E_RNA)
where:
Base-Base interactions energy: -149.127
where: short stacking energy: -82.044
Base-Backbone interact. energy: -0.957
local terms energy: -202.010168
where:
bonds (distance) C4'-P energy: -62.689
bonds (distance) P-C4' energy: -67.038
flat angles C4'-P-C4' energy: -49.078
flat angles P-C4'-P energy: -31.409
tors. eta vs tors. theta energy: 8.204
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: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1150.235076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.235076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.235076 (E_RNA)
where:
Base-Base interactions energy: -785.395
where: short stacking energy: -334.692
Base-Backbone interact. energy: -0.974
local terms energy: -364.882282
where:
bonds (distance) C4'-P energy: -62.298
bonds (distance) P-C4' energy: -69.412
flat angles C4'-P-C4' energy: -70.627
flat angles P-C4'-P energy: -58.055
tors. eta vs tors. theta energy: -104.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.017 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1110.235641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.235641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.235641 (E_RNA)
where:
Base-Base interactions energy: -755.857
where: short stacking energy: -315.717
Base-Backbone interact. energy: -0.607
local terms energy: -353.771714
where:
bonds (distance) C4'-P energy: -61.108
bonds (distance) P-C4' energy: -66.999
flat angles C4'-P-C4' energy: -69.428
flat angles P-C4'-P energy: -50.507
tors. eta vs tors. theta energy: -105.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1032.371142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.371142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.371142 (E_RNA)
where:
Base-Base interactions energy: -692.108
where: short stacking energy: -290.901
Base-Backbone interact. energy: -0.719
local terms energy: -339.543995
where:
bonds (distance) C4'-P energy: -53.476
bonds (distance) P-C4' energy: -69.340
flat angles C4'-P-C4' energy: -73.036
flat angles P-C4'-P energy: -50.197
tors. eta vs tors. theta energy: -93.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -956.492576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.492576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.492576 (E_RNA)
where:
Base-Base interactions energy: -634.290
where: short stacking energy: -296.723
Base-Backbone interact. energy: -0.682
local terms energy: -321.521055
where:
bonds (distance) C4'-P energy: -56.212
bonds (distance) P-C4' energy: -57.682
flat angles C4'-P-C4' energy: -67.476
flat angles P-C4'-P energy: -46.683
tors. eta vs tors. theta energy: -93.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -842.343549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.343549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.343549 (E_RNA)
where:
Base-Base interactions energy: -524.753
where: short stacking energy: -227.857
Base-Backbone interact. energy: 0.116
local terms energy: -317.706529
where:
bonds (distance) C4'-P energy: -63.624
bonds (distance) P-C4' energy: -64.382
flat angles C4'-P-C4' energy: -76.195
flat angles P-C4'-P energy: -43.834
tors. eta vs tors. theta energy: -69.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -682.989984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.989984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.989984 (E_RNA)
where:
Base-Base interactions energy: -412.524
where: short stacking energy: -181.691
Base-Backbone interact. energy: -1.364
local terms energy: -269.102014
where:
bonds (distance) C4'-P energy: -59.306
bonds (distance) P-C4' energy: -65.494
flat angles C4'-P-C4' energy: -61.659
flat angles P-C4'-P energy: -36.068
tors. eta vs tors. theta energy: -46.576
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: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -645.281583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.281583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.281583 (E_RNA)
where:
Base-Base interactions energy: -416.462
where: short stacking energy: -187.226
Base-Backbone interact. energy: -1.014
local terms energy: -227.805632
where:
bonds (distance) C4'-P energy: -56.428
bonds (distance) P-C4' energy: -45.329
flat angles C4'-P-C4' energy: -56.813
flat angles P-C4'-P energy: -33.871
tors. eta vs tors. theta energy: -35.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -442.202446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.202446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.202446 (E_RNA)
where:
Base-Base interactions energy: -215.405
where: short stacking energy: -109.599
Base-Backbone interact. energy: -0.502
local terms energy: -226.295517
where:
bonds (distance) C4'-P energy: -60.438
bonds (distance) P-C4' energy: -63.368
flat angles C4'-P-C4' energy: -56.284
flat angles P-C4'-P energy: -36.097
tors. eta vs tors. theta energy: -10.109
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: 403
Temperature: 1.300000
Total energy: -445.828892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.828892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.828892 (E_RNA)
where:
Base-Base interactions energy: -249.296
where: short stacking energy: -125.168
Base-Backbone interact. energy: 2.843
local terms energy: -199.376535
where:
bonds (distance) C4'-P energy: -60.139
bonds (distance) P-C4' energy: -53.845
flat angles C4'-P-C4' energy: -53.386
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -358.759916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.759916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.759916 (E_RNA)
where:
Base-Base interactions energy: -149.149
where: short stacking energy: -94.155
Base-Backbone interact. energy: -0.659
local terms energy: -208.951584
where:
bonds (distance) C4'-P energy: -58.393
bonds (distance) P-C4' energy: -56.118
flat angles C4'-P-C4' energy: -63.950
flat angles P-C4'-P energy: -38.686
tors. eta vs tors. theta energy: 8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1163.700973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.700973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.700973 (E_RNA)
where:
Base-Base interactions energy: -804.190
where: short stacking energy: -322.799
Base-Backbone interact. energy: -0.571
local terms energy: -358.939525
where:
bonds (distance) C4'-P energy: -67.309
bonds (distance) P-C4' energy: -61.446
flat angles C4'-P-C4' energy: -75.795
flat angles P-C4'-P energy: -53.292
tors. eta vs tors. theta energy: -101.099
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: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1107.398299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.398299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.398299 (E_RNA)
where:
Base-Base interactions energy: -763.872
where: short stacking energy: -332.981
Base-Backbone interact. energy: -1.038
local terms energy: -342.488054
where:
bonds (distance) C4'-P energy: -60.845
bonds (distance) P-C4' energy: -63.901
flat angles C4'-P-C4' energy: -74.465
flat angles P-C4'-P energy: -43.806
tors. eta vs tors. theta energy: -99.470
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: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1040.384831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.384831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.384831 (E_RNA)
where:
Base-Base interactions energy: -712.093
where: short stacking energy: -295.616
Base-Backbone interact. energy: -2.167
local terms energy: -326.124850
where:
bonds (distance) C4'-P energy: -69.642
bonds (distance) P-C4' energy: -64.009
flat angles C4'-P-C4' energy: -64.882
flat angles P-C4'-P energy: -43.592
tors. eta vs tors. theta energy: -83.999
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: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -913.815168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.815168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.815168 (E_RNA)
where:
Base-Base interactions energy: -597.291
where: short stacking energy: -259.458
Base-Backbone interact. energy: -1.752
local terms energy: -315.099820
where:
bonds (distance) C4'-P energy: -67.418
bonds (distance) P-C4' energy: -65.439
flat angles C4'-P-C4' energy: -67.268
flat angles P-C4'-P energy: -40.848
tors. eta vs tors. theta energy: -74.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.327 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -865.247995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.247995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.247995 (E_RNA)
where:
Base-Base interactions energy: -565.633
where: short stacking energy: -248.259
Base-Backbone interact. energy: -0.390
local terms energy: -299.224732
where:
bonds (distance) C4'-P energy: -59.342
bonds (distance) P-C4' energy: -57.614
flat angles C4'-P-C4' energy: -65.714
flat angles P-C4'-P energy: -45.139
tors. eta vs tors. theta energy: -71.416
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: 404
Temperature: 1.150000
Total energy: -734.209643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.209643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.209643 (E_RNA)
where:
Base-Base interactions energy: -472.160
where: short stacking energy: -223.475
Base-Backbone interact. energy: -0.667
local terms energy: -261.382420
where:
bonds (distance) C4'-P energy: -57.975
bonds (distance) P-C4' energy: -63.556
flat angles C4'-P-C4' energy: -47.282
flat angles P-C4'-P energy: -33.170
tors. eta vs tors. theta energy: -59.399
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: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -626.119042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.119042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.119042 (E_RNA)
where:
Base-Base interactions energy: -393.277
where: short stacking energy: -175.687
Base-Backbone interact. energy: 2.248
local terms energy: -236.232625
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -53.391
flat angles C4'-P-C4' energy: -53.221
flat angles P-C4'-P energy: -46.443
tors. eta vs tors. theta energy: -32.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.142 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -407.635155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.635155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.635155 (E_RNA)
where:
Base-Base interactions energy: -202.721
where: short stacking energy: -106.051
Base-Backbone interact. energy: -1.192
local terms energy: -203.721698
where:
bonds (distance) C4'-P energy: -67.819
bonds (distance) P-C4' energy: -45.704
flat angles C4'-P-C4' energy: -63.089
flat angles P-C4'-P energy: -25.203
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -472.605165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.605165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.605165 (E_RNA)
where:
Base-Base interactions energy: -263.282
where: short stacking energy: -137.794
Base-Backbone interact. energy: -1.763
local terms energy: -207.560091
where:
bonds (distance) C4'-P energy: -46.348
bonds (distance) P-C4' energy: -65.106
flat angles C4'-P-C4' energy: -48.659
flat angles P-C4'-P energy: -34.609
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: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -339.617399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.617399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.617399 (E_RNA)
where:
Base-Base interactions energy: -148.738
where: short stacking energy: -96.605
Base-Backbone interact. energy: 3.539
local terms energy: -194.418247
where:
bonds (distance) C4'-P energy: -59.202
bonds (distance) P-C4' energy: -57.769
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -25.083
tors. eta vs tors. theta energy: -8.105
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: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1150.233286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.233286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.233286 (E_RNA)
where:
Base-Base interactions energy: -794.586
where: short stacking energy: -326.986
Base-Backbone interact. energy: -0.855
local terms energy: -354.792307
where:
bonds (distance) C4'-P energy: -63.486
bonds (distance) P-C4' energy: -66.229
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -55.494
tors. eta vs tors. theta energy: -97.978
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: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1092.423805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.423805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.423805 (E_RNA)
where:
Base-Base interactions energy: -734.155
where: short stacking energy: -317.396
Base-Backbone interact. energy: 0.367
local terms energy: -358.636268
where:
bonds (distance) C4'-P energy: -71.038
bonds (distance) P-C4' energy: -59.773
flat angles C4'-P-C4' energy: -76.944
flat angles P-C4'-P energy: -51.174
tors. eta vs tors. theta energy: -99.708
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: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1029.977845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.977845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.977845 (E_RNA)
where:
Base-Base interactions energy: -713.865
where: short stacking energy: -298.273
Base-Backbone interact. energy: -1.054
local terms energy: -315.059034
where:
bonds (distance) C4'-P energy: -58.686
bonds (distance) P-C4' energy: -66.703
flat angles C4'-P-C4' energy: -64.347
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -93.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -927.308904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.308904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.308904 (E_RNA)
where:
Base-Base interactions energy: -608.316
where: short stacking energy: -270.000
Base-Backbone interact. energy: -1.105
local terms energy: -317.887370
where:
bonds (distance) C4'-P energy: -57.056
bonds (distance) P-C4' energy: -57.480
flat angles C4'-P-C4' energy: -73.711
flat angles P-C4'-P energy: -45.344
tors. eta vs tors. theta energy: -84.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -849.353737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.353737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.353737 (E_RNA)
where:
Base-Base interactions energy: -543.997
where: short stacking energy: -230.890
Base-Backbone interact. energy: -1.345
local terms energy: -304.011838
where:
bonds (distance) C4'-P energy: -57.424
bonds (distance) P-C4' energy: -72.864
flat angles C4'-P-C4' energy: -69.119
flat angles P-C4'-P energy: -48.636
tors. eta vs tors. theta energy: -55.968
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: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -740.850623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.850623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.850623 (E_RNA)
where:
Base-Base interactions energy: -457.798
where: short stacking energy: -203.962
Base-Backbone interact. energy: 0.944
local terms energy: -283.996731
where:
bonds (distance) C4'-P energy: -51.820
bonds (distance) P-C4' energy: -71.973
flat angles C4'-P-C4' energy: -63.834
flat angles P-C4'-P energy: -42.360
tors. eta vs tors. theta energy: -54.010
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: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -616.430130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.430130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.430130 (E_RNA)
where:
Base-Base interactions energy: -383.727
where: short stacking energy: -162.583
Base-Backbone interact. energy: 1.259
local terms energy: -233.962958
where:
bonds (distance) C4'-P energy: -49.500
bonds (distance) P-C4' energy: -65.637
flat angles C4'-P-C4' energy: -56.365
flat angles P-C4'-P energy: -31.354
tors. eta vs tors. theta energy: -31.108
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: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -514.558770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.558770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.558770 (E_RNA)
where:
Base-Base interactions energy: -292.917
where: short stacking energy: -129.158
Base-Backbone interact. energy: -0.716
local terms energy: -220.926260
where:
bonds (distance) C4'-P energy: -59.278
bonds (distance) P-C4' energy: -57.440
flat angles C4'-P-C4' energy: -44.743
flat angles P-C4'-P energy: -36.965
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: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -398.816496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.816496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.816496 (E_RNA)
where:
Base-Base interactions energy: -191.048
where: short stacking energy: -118.709
Base-Backbone interact. energy: 0.551
local terms energy: -208.615419
where:
bonds (distance) C4'-P energy: -60.367
bonds (distance) P-C4' energy: -59.305
flat angles C4'-P-C4' energy: -49.102
flat angles P-C4'-P energy: -27.620
tors. eta vs tors. theta energy: -12.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.296 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -370.532032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.532032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.532032 (E_RNA)
where:
Base-Base interactions energy: -187.219
where: short stacking energy: -107.072
Base-Backbone interact. energy: -0.649
local terms energy: -182.664492
where:
bonds (distance) C4'-P energy: -50.379
bonds (distance) P-C4' energy: -58.882
flat angles C4'-P-C4' energy: -37.332
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1132.168184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.168184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.168184 (E_RNA)
where:
Base-Base interactions energy: -772.118
where: short stacking energy: -299.447
Base-Backbone interact. energy: -0.352
local terms energy: -359.698317
where:
bonds (distance) C4'-P energy: -75.626
bonds (distance) P-C4' energy: -72.321
flat angles C4'-P-C4' energy: -72.741
flat angles P-C4'-P energy: -49.876
tors. eta vs tors. theta energy: -89.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1098.391335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.391335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.391335 (E_RNA)
where:
Base-Base interactions energy: -735.784
where: short stacking energy: -312.368
Base-Backbone interact. energy: 0.534
local terms energy: -363.140677
where:
bonds (distance) C4'-P energy: -62.515
bonds (distance) P-C4' energy: -71.893
flat angles C4'-P-C4' energy: -75.102
flat angles P-C4'-P energy: -56.347
tors. eta vs tors. theta energy: -97.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1049.223443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.223443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.223443 (E_RNA)
where:
Base-Base interactions energy: -705.166
where: short stacking energy: -291.910
Base-Backbone interact. energy: 0.123
local terms energy: -344.180908
where:
bonds (distance) C4'-P energy: -69.158
bonds (distance) P-C4' energy: -70.364
flat angles C4'-P-C4' energy: -60.700
flat angles P-C4'-P energy: -51.357
tors. eta vs tors. theta energy: -92.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -966.218648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.218648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.218648 (E_RNA)
where:
Base-Base interactions energy: -624.846
where: short stacking energy: -266.938
Base-Backbone interact. energy: 1.939
local terms energy: -343.351898
where:
bonds (distance) C4'-P energy: -61.263
bonds (distance) P-C4' energy: -69.286
flat angles C4'-P-C4' energy: -80.637
flat angles P-C4'-P energy: -45.431
tors. eta vs tors. theta energy: -86.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.040 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -868.042336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.042336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.042336 (E_RNA)
where:
Base-Base interactions energy: -577.696
where: short stacking energy: -241.793
Base-Backbone interact. energy: -0.797
local terms energy: -289.549661
where:
bonds (distance) C4'-P energy: -62.459
bonds (distance) P-C4' energy: -60.840
flat angles C4'-P-C4' energy: -63.891
flat angles P-C4'-P energy: -40.141
tors. eta vs tors. theta energy: -62.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -736.095014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.095014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.095014 (E_RNA)
where:
Base-Base interactions energy: -469.840
where: short stacking energy: -209.207
Base-Backbone interact. energy: 0.094
local terms energy: -266.348382
where:
bonds (distance) C4'-P energy: -52.845
bonds (distance) P-C4' energy: -64.428
flat angles C4'-P-C4' energy: -60.147
flat angles P-C4'-P energy: -37.809
tors. eta vs tors. theta energy: -51.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -645.806768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.806768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.806768 (E_RNA)
where:
Base-Base interactions energy: -415.514
where: short stacking energy: -180.283
Base-Backbone interact. energy: -0.466
local terms energy: -229.827212
where:
bonds (distance) C4'-P energy: -57.851
bonds (distance) P-C4' energy: -57.812
flat angles C4'-P-C4' energy: -59.484
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -29.807
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: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -526.873663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.873663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.873663 (E_RNA)
where:
Base-Base interactions energy: -312.732
where: short stacking energy: -145.516
Base-Backbone interact. energy: -0.545
local terms energy: -213.596698
where:
bonds (distance) C4'-P energy: -55.389
bonds (distance) P-C4' energy: -60.399
flat angles C4'-P-C4' energy: -54.567
flat angles P-C4'-P energy: -30.582
tors. eta vs tors. theta energy: -12.660
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: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -396.188572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.188572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.188572 (E_RNA)
where:
Base-Base interactions energy: -198.490
where: short stacking energy: -99.564
Base-Backbone interact. energy: 0.063
local terms energy: -197.761486
where:
bonds (distance) C4'-P energy: -57.173
bonds (distance) P-C4' energy: -63.825
flat angles C4'-P-C4' energy: -48.884
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -330.342636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.342636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.342636 (E_RNA)
where:
Base-Base interactions energy: -147.371
where: short stacking energy: -79.549
Base-Backbone interact. energy: 1.146
local terms energy: -184.117277
where:
bonds (distance) C4'-P energy: -48.864
bonds (distance) P-C4' energy: -69.808
flat angles C4'-P-C4' energy: -39.851
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: 2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1135.173411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.173411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.173411 (E_RNA)
where:
Base-Base interactions energy: -774.651
where: short stacking energy: -318.193
Base-Backbone interact. energy: -1.169
local terms energy: -359.352724
where:
bonds (distance) C4'-P energy: -63.507
bonds (distance) P-C4' energy: -63.242
flat angles C4'-P-C4' energy: -76.606
flat angles P-C4'-P energy: -51.529
tors. eta vs tors. theta energy: -104.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1104.378881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.378881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.378881 (E_RNA)
where:
Base-Base interactions energy: -749.437
where: short stacking energy: -313.787
Base-Backbone interact. energy: 2.269
local terms energy: -357.211115
where:
bonds (distance) C4'-P energy: -65.582
bonds (distance) P-C4' energy: -69.429
flat angles C4'-P-C4' energy: -74.639
flat angles P-C4'-P energy: -49.447
tors. eta vs tors. theta energy: -98.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1040.377886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.377886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.377886 (E_RNA)
where:
Base-Base interactions energy: -698.128
where: short stacking energy: -276.558
Base-Backbone interact. energy: -0.939
local terms energy: -341.310771
where:
bonds (distance) C4'-P energy: -71.989
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -73.854
flat angles P-C4'-P energy: -47.043
tors. eta vs tors. theta energy: -88.758
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: 407
Temperature: 1.050000
Total energy: -947.137174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.137174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.137174 (E_RNA)
where:
Base-Base interactions energy: -639.343
where: short stacking energy: -280.106
Base-Backbone interact. energy: 0.498
local terms energy: -308.748104
where:
bonds (distance) C4'-P energy: -57.362
bonds (distance) P-C4' energy: -68.569
flat angles C4'-P-C4' energy: -61.128
flat angles P-C4'-P energy: -41.877
tors. eta vs tors. theta energy: -79.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.456 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -842.765128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.765128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.765128 (E_RNA)
where:
Base-Base interactions energy: -563.904
where: short stacking energy: -241.795
Base-Backbone interact. energy: -0.877
local terms energy: -278.038619
where:
bonds (distance) C4'-P energy: -55.322
bonds (distance) P-C4' energy: -62.724
flat angles C4'-P-C4' energy: -66.364
flat angles P-C4'-P energy: -33.133
tors. eta vs tors. theta energy: -60.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -745.959779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.959779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.959779 (E_RNA)
where:
Base-Base interactions energy: -455.535
where: short stacking energy: -214.856
Base-Backbone interact. energy: -2.838
local terms energy: -287.586406
where:
bonds (distance) C4'-P energy: -59.975
bonds (distance) P-C4' energy: -48.684
flat angles C4'-P-C4' energy: -76.103
flat angles P-C4'-P energy: -44.138
tors. eta vs tors. theta energy: -58.686
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: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -686.470371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.470371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.470371 (E_RNA)
where:
Base-Base interactions energy: -432.572
where: short stacking energy: -205.881
Base-Backbone interact. energy: 2.447
local terms energy: -257.152525
where:
bonds (distance) C4'-P energy: -52.313
bonds (distance) P-C4' energy: -53.870
flat angles C4'-P-C4' energy: -66.133
flat angles P-C4'-P energy: -36.190
tors. eta vs tors. theta energy: -48.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.808 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -530.271409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.271409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.271409 (E_RNA)
where:
Base-Base interactions energy: -298.655
where: short stacking energy: -149.244
Base-Backbone interact. energy: 0.521
local terms energy: -232.137931
where:
bonds (distance) C4'-P energy: -48.891
bonds (distance) P-C4' energy: -61.014
flat angles C4'-P-C4' energy: -53.736
flat angles P-C4'-P energy: -35.343
tors. eta vs tors. theta energy: -33.153
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: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -411.323361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.323361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.323361 (E_RNA)
where:
Base-Base interactions energy: -205.597
where: short stacking energy: -107.534
Base-Backbone interact. energy: 0.900
local terms energy: -206.626339
where:
bonds (distance) C4'-P energy: -49.918
bonds (distance) P-C4' energy: -70.606
flat angles C4'-P-C4' energy: -57.875
flat angles P-C4'-P energy: -22.751
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -326.569359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.569359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.569359 (E_RNA)
where:
Base-Base interactions energy: -140.472
where: short stacking energy: -90.887
Base-Backbone interact. energy: -0.214
local terms energy: -185.883529
where:
bonds (distance) C4'-P energy: -54.152
bonds (distance) P-C4' energy: -51.657
flat angles C4'-P-C4' energy: -45.350
flat angles P-C4'-P energy: -31.780
tors. eta vs tors. theta energy: -2.945
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: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1128.894553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.894553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.894553 (E_RNA)
where:
Base-Base interactions energy: -766.327
where: short stacking energy: -341.490
Base-Backbone interact. energy: -0.161
local terms energy: -362.406981
where:
bonds (distance) C4'-P energy: -59.264
bonds (distance) P-C4' energy: -67.321
flat angles C4'-P-C4' energy: -81.651
flat angles P-C4'-P energy: -51.142
tors. eta vs tors. theta energy: -103.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1111.063724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.063724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.063724 (E_RNA)
where:
Base-Base interactions energy: -744.878
where: short stacking energy: -292.243
Base-Backbone interact. energy: -1.542
local terms energy: -364.643515
where:
bonds (distance) C4'-P energy: -69.885
bonds (distance) P-C4' energy: -71.178
flat angles C4'-P-C4' energy: -67.920
flat angles P-C4'-P energy: -53.174
tors. eta vs tors. theta energy: -102.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1026.320634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.320634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.320634 (E_RNA)
where:
Base-Base interactions energy: -690.834
where: short stacking energy: -288.053
Base-Backbone interact. energy: -0.452
local terms energy: -335.034380
where:
bonds (distance) C4'-P energy: -59.258
bonds (distance) P-C4' energy: -70.979
flat angles C4'-P-C4' energy: -74.798
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -84.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -947.151444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.151444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.151444 (E_RNA)
where:
Base-Base interactions energy: -630.230
where: short stacking energy: -264.037
Base-Backbone interact. energy: 0.494
local terms energy: -317.414915
where:
bonds (distance) C4'-P energy: -50.576
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -67.576
flat angles P-C4'-P energy: -44.151
tors. eta vs tors. theta energy: -94.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -844.414335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.414335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.414335 (E_RNA)
where:
Base-Base interactions energy: -560.311
where: short stacking energy: -251.329
Base-Backbone interact. energy: 0.890
local terms energy: -284.993580
where:
bonds (distance) C4'-P energy: -58.458
bonds (distance) P-C4' energy: -65.858
flat angles C4'-P-C4' energy: -59.091
flat angles P-C4'-P energy: -36.827
tors. eta vs tors. theta energy: -64.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -704.640793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.640793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.640793 (E_RNA)
where:
Base-Base interactions energy: -448.421
where: short stacking energy: -194.923
Base-Backbone interact. energy: -1.692
local terms energy: -254.527816
where:
bonds (distance) C4'-P energy: -52.455
bonds (distance) P-C4' energy: -64.139
flat angles C4'-P-C4' energy: -51.922
flat angles P-C4'-P energy: -38.766
tors. eta vs tors. theta energy: -47.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -693.324282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.324282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.324282 (E_RNA)
where:
Base-Base interactions energy: -433.982
where: short stacking energy: -166.277
Base-Backbone interact. energy: -1.981
local terms energy: -257.361062
where:
bonds (distance) C4'-P energy: -61.998
bonds (distance) P-C4' energy: -64.936
flat angles C4'-P-C4' energy: -58.128
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -37.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -529.214532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.214532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.214532 (E_RNA)
where:
Base-Base interactions energy: -304.623
where: short stacking energy: -151.685
Base-Backbone interact. energy: -0.103
local terms energy: -225.604124
where:
bonds (distance) C4'-P energy: -50.952
bonds (distance) P-C4' energy: -62.517
flat angles C4'-P-C4' energy: -49.443
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.116 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -405.446058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.446058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.446058 (E_RNA)
where:
Base-Base interactions energy: -206.424
where: short stacking energy: -106.949
Base-Backbone interact. energy: 0.229
local terms energy: -199.251035
where:
bonds (distance) C4'-P energy: -64.557
bonds (distance) P-C4' energy: -55.156
flat angles C4'-P-C4' energy: -47.517
flat angles P-C4'-P energy: -33.859
tors. eta vs tors. theta energy: 1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -401.316435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.316435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.316435 (E_RNA)
where:
Base-Base interactions energy: -202.537
where: short stacking energy: -106.751
Base-Backbone interact. energy: -1.263
local terms energy: -197.516335
where:
bonds (distance) C4'-P energy: -57.312
bonds (distance) P-C4' energy: -56.747
flat angles C4'-P-C4' energy: -45.875
flat angles P-C4'-P energy: -33.786
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1130.091520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.091520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.091520 (E_RNA)
where:
Base-Base interactions energy: -765.455
where: short stacking energy: -335.091
Base-Backbone interact. energy: 0.228
local terms energy: -364.863836
where:
bonds (distance) C4'-P energy: -67.554
bonds (distance) P-C4' energy: -68.207
flat angles C4'-P-C4' energy: -71.008
flat angles P-C4'-P energy: -55.520
tors. eta vs tors. theta energy: -102.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1103.700116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.700116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.700116 (E_RNA)
where:
Base-Base interactions energy: -752.152
where: short stacking energy: -303.389
Base-Backbone interact. energy: -1.100
local terms energy: -350.447420
where:
bonds (distance) C4'-P energy: -71.144
bonds (distance) P-C4' energy: -67.145
flat angles C4'-P-C4' energy: -67.742
flat angles P-C4'-P energy: -52.875
tors. eta vs tors. theta energy: -91.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1043.959284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.959284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.959284 (E_RNA)
where:
Base-Base interactions energy: -714.477
where: short stacking energy: -302.653
Base-Backbone interact. energy: -1.704
local terms energy: -327.778250
where:
bonds (distance) C4'-P energy: -64.051
bonds (distance) P-C4' energy: -61.324
flat angles C4'-P-C4' energy: -67.980
flat angles P-C4'-P energy: -45.353
tors. eta vs tors. theta energy: -89.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -954.643107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.643107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.643107 (E_RNA)
where:
Base-Base interactions energy: -645.318
where: short stacking energy: -283.542
Base-Backbone interact. energy: -0.943
local terms energy: -308.382376
where:
bonds (distance) C4'-P energy: -58.227
bonds (distance) P-C4' energy: -53.385
flat angles C4'-P-C4' energy: -68.004
flat angles P-C4'-P energy: -41.406
tors. eta vs tors. theta energy: -87.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -857.243375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.243375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.243375 (E_RNA)
where:
Base-Base interactions energy: -553.176
where: short stacking energy: -242.718
Base-Backbone interact. energy: -0.214
local terms energy: -303.852743
where:
bonds (distance) C4'-P energy: -59.839
bonds (distance) P-C4' energy: -70.145
flat angles C4'-P-C4' energy: -64.090
flat angles P-C4'-P energy: -47.760
tors. eta vs tors. theta energy: -62.018
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: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -704.395640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.395640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.395640 (E_RNA)
where:
Base-Base interactions energy: -447.702
where: short stacking energy: -193.253
Base-Backbone interact. energy: -1.026
local terms energy: -255.668019
where:
bonds (distance) C4'-P energy: -53.074
bonds (distance) P-C4' energy: -59.791
flat angles C4'-P-C4' energy: -62.217
flat angles P-C4'-P energy: -43.711
tors. eta vs tors. theta energy: -36.875
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: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -684.812414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.812414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.812414 (E_RNA)
where:
Base-Base interactions energy: -397.895
where: short stacking energy: -179.708
Base-Backbone interact. energy: -0.998
local terms energy: -285.919661
where:
bonds (distance) C4'-P energy: -55.863
bonds (distance) P-C4' energy: -74.654
flat angles C4'-P-C4' energy: -62.261
flat angles P-C4'-P energy: -41.366
tors. eta vs tors. theta energy: -51.776
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: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -507.109163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.109163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.109163 (E_RNA)
where:
Base-Base interactions energy: -287.230
where: short stacking energy: -136.003
Base-Backbone interact. energy: -1.182
local terms energy: -218.696857
where:
bonds (distance) C4'-P energy: -62.296
bonds (distance) P-C4' energy: -55.212
flat angles C4'-P-C4' energy: -51.955
flat angles P-C4'-P energy: -31.170
tors. eta vs tors. theta energy: -18.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -396.073607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.073607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.073607 (E_RNA)
where:
Base-Base interactions energy: -201.448
where: short stacking energy: -117.139
Base-Backbone interact. energy: -1.912
local terms energy: -192.713772
where:
bonds (distance) C4'-P energy: -52.360
bonds (distance) P-C4' energy: -68.907
flat angles C4'-P-C4' energy: -51.561
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -385.205571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.205571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.205571 (E_RNA)
where:
Base-Base interactions energy: -192.859
where: short stacking energy: -101.774
Base-Backbone interact. energy: -1.207
local terms energy: -191.139164
where:
bonds (distance) C4'-P energy: -42.873
bonds (distance) P-C4' energy: -54.596
flat angles C4'-P-C4' energy: -49.666
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1114.461770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.461770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.461770 (E_RNA)
where:
Base-Base interactions energy: -761.613
where: short stacking energy: -314.403
Base-Backbone interact. energy: -0.175
local terms energy: -352.674048
where:
bonds (distance) C4'-P energy: -63.329
bonds (distance) P-C4' energy: -65.090
flat angles C4'-P-C4' energy: -75.982
flat angles P-C4'-P energy: -48.711
tors. eta vs tors. theta energy: -99.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1083.576956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.576956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.576956 (E_RNA)
where:
Base-Base interactions energy: -748.160
where: short stacking energy: -298.260
Base-Backbone interact. energy: 0.273
local terms energy: -335.690496
where:
bonds (distance) C4'-P energy: -57.258
bonds (distance) P-C4' energy: -66.625
flat angles C4'-P-C4' energy: -70.474
flat angles P-C4'-P energy: -50.698
tors. eta vs tors. theta energy: -90.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1034.115516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.115516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.115516 (E_RNA)
where:
Base-Base interactions energy: -711.519
where: short stacking energy: -295.835
Base-Backbone interact. energy: 0.691
local terms energy: -323.288016
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -57.800
flat angles C4'-P-C4' energy: -65.534
flat angles P-C4'-P energy: -44.431
tors. eta vs tors. theta energy: -88.483
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: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -955.544695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.544695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.544695 (E_RNA)
where:
Base-Base interactions energy: -632.758
where: short stacking energy: -286.718
Base-Backbone interact. energy: -0.840
local terms energy: -321.946744
where:
bonds (distance) C4'-P energy: -54.745
bonds (distance) P-C4' energy: -60.249
flat angles C4'-P-C4' energy: -71.350
flat angles P-C4'-P energy: -48.380
tors. eta vs tors. theta energy: -87.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -845.126912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.126912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.126912 (E_RNA)
where:
Base-Base interactions energy: -546.647
where: short stacking energy: -254.812
Base-Backbone interact. energy: -0.799
local terms energy: -297.680851
where:
bonds (distance) C4'-P energy: -63.421
bonds (distance) P-C4' energy: -64.679
flat angles C4'-P-C4' energy: -67.968
flat angles P-C4'-P energy: -34.835
tors. eta vs tors. theta energy: -66.778
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: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -731.092832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.092832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.092832 (E_RNA)
where:
Base-Base interactions energy: -458.990
where: short stacking energy: -201.161
Base-Backbone interact. energy: -2.960
local terms energy: -269.142904
where:
bonds (distance) C4'-P energy: -60.255
bonds (distance) P-C4' energy: -61.279
flat angles C4'-P-C4' energy: -70.492
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: -43.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -678.391419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.391419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.391419 (E_RNA)
where:
Base-Base interactions energy: -424.542
where: short stacking energy: -201.452
Base-Backbone interact. energy: -1.332
local terms energy: -252.517361
where:
bonds (distance) C4'-P energy: -49.730
bonds (distance) P-C4' energy: -60.365
flat angles C4'-P-C4' energy: -54.191
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -46.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -570.587378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.587378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.587378 (E_RNA)
where:
Base-Base interactions energy: -319.057
where: short stacking energy: -160.382
Base-Backbone interact. energy: 1.833
local terms energy: -253.363567
where:
bonds (distance) C4'-P energy: -63.419
bonds (distance) P-C4' energy: -60.246
flat angles C4'-P-C4' energy: -59.589
flat angles P-C4'-P energy: -39.408
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: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -400.922751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.922751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.922751 (E_RNA)
where:
Base-Base interactions energy: -205.533
where: short stacking energy: -112.491
Base-Backbone interact. energy: 3.275
local terms energy: -199.301240
where:
bonds (distance) C4'-P energy: -46.876
bonds (distance) P-C4' energy: -61.920
flat angles C4'-P-C4' energy: -49.151
flat angles P-C4'-P energy: -34.782
tors. eta vs tors. theta energy: -6.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.637 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -374.726484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.726484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.726484 (E_RNA)
where:
Base-Base interactions energy: -177.263
where: short stacking energy: -106.216
Base-Backbone interact. energy: 0.963
local terms energy: -198.426635
where:
bonds (distance) C4'-P energy: -56.180
bonds (distance) P-C4' energy: -55.217
flat angles C4'-P-C4' energy: -54.484
flat angles P-C4'-P energy: -28.885
tors. eta vs tors. theta energy: -3.660
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: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1144.455916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.455916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.455916 (E_RNA)
where:
Base-Base interactions energy: -788.030
where: short stacking energy: -309.234
Base-Backbone interact. energy: -0.738
local terms energy: -355.688787
where:
bonds (distance) C4'-P energy: -69.079
bonds (distance) P-C4' energy: -68.546
flat angles C4'-P-C4' energy: -82.342
flat angles P-C4'-P energy: -39.951
tors. eta vs tors. theta energy: -95.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1092.543666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.543666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.543666 (E_RNA)
where:
Base-Base interactions energy: -734.208
where: short stacking energy: -287.262
Base-Backbone interact. energy: 0.455
local terms energy: -358.791008
where:
bonds (distance) C4'-P energy: -73.101
bonds (distance) P-C4' energy: -65.770
flat angles C4'-P-C4' energy: -73.582
flat angles P-C4'-P energy: -51.086
tors. eta vs tors. theta energy: -95.252
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: 411
Temperature: 1.000000
Total energy: -1008.298766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.298766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.298766 (E_RNA)
where:
Base-Base interactions energy: -690.189
where: short stacking energy: -272.551
Base-Backbone interact. energy: -0.718
local terms energy: -317.391706
where:
bonds (distance) C4'-P energy: -69.091
bonds (distance) P-C4' energy: -59.713
flat angles C4'-P-C4' energy: -61.670
flat angles P-C4'-P energy: -50.429
tors. eta vs tors. theta energy: -76.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -946.788857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.788857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.788857 (E_RNA)
where:
Base-Base interactions energy: -630.902
where: short stacking energy: -258.736
Base-Backbone interact. energy: 0.820
local terms energy: -316.707232
where:
bonds (distance) C4'-P energy: -68.700
bonds (distance) P-C4' energy: -63.442
flat angles C4'-P-C4' energy: -62.040
flat angles P-C4'-P energy: -45.235
tors. eta vs tors. theta energy: -77.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -841.175850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.175850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.175850 (E_RNA)
where:
Base-Base interactions energy: -567.641
where: short stacking energy: -234.948
Base-Backbone interact. energy: -1.129
local terms energy: -272.405990
where:
bonds (distance) C4'-P energy: -56.272
bonds (distance) P-C4' energy: -65.585
flat angles C4'-P-C4' energy: -45.828
flat angles P-C4'-P energy: -45.830
tors. eta vs tors. theta energy: -58.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -733.672284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.672284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.672284 (E_RNA)
where:
Base-Base interactions energy: -474.819
where: short stacking energy: -226.642
Base-Backbone interact. energy: -1.774
local terms energy: -257.079425
where:
bonds (distance) C4'-P energy: -54.310
bonds (distance) P-C4' energy: -54.859
flat angles C4'-P-C4' energy: -57.702
flat angles P-C4'-P energy: -38.672
tors. eta vs tors. theta energy: -51.536
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: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -690.324419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.324419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.324419 (E_RNA)
where:
Base-Base interactions energy: -424.519
where: short stacking energy: -182.909
Base-Backbone interact. energy: 2.992
local terms energy: -268.797223
where:
bonds (distance) C4'-P energy: -63.414
bonds (distance) P-C4' energy: -68.072
flat angles C4'-P-C4' energy: -51.622
flat angles P-C4'-P energy: -36.216
tors. eta vs tors. theta energy: -49.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -567.826874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.826874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.826874 (E_RNA)
where:
Base-Base interactions energy: -322.959
where: short stacking energy: -149.154
Base-Backbone interact. energy: 0.255
local terms energy: -245.122296
where:
bonds (distance) C4'-P energy: -58.640
bonds (distance) P-C4' energy: -60.592
flat angles C4'-P-C4' energy: -50.525
flat angles P-C4'-P energy: -41.938
tors. eta vs tors. theta energy: -33.427
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: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -406.143696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.143696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.143696 (E_RNA)
where:
Base-Base interactions energy: -212.224
where: short stacking energy: -120.922
Base-Backbone interact. energy: 3.907
local terms energy: -197.826300
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -54.384
flat angles C4'-P-C4' energy: -54.760
flat angles P-C4'-P energy: -24.890
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -369.470021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.470021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.470021 (E_RNA)
where:
Base-Base interactions energy: -171.087
where: short stacking energy: -108.084
Base-Backbone interact. energy: -0.882
local terms energy: -197.500877
where:
bonds (distance) C4'-P energy: -56.248
bonds (distance) P-C4' energy: -49.669
flat angles C4'-P-C4' energy: -46.664
flat angles P-C4'-P energy: -33.299
tors. eta vs tors. theta energy: -11.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1129.747122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.747122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.747122 (E_RNA)
where:
Base-Base interactions energy: -755.969
where: short stacking energy: -303.607
Base-Backbone interact. energy: -0.965
local terms energy: -372.813101
where:
bonds (distance) C4'-P energy: -70.740
bonds (distance) P-C4' energy: -71.797
flat angles C4'-P-C4' energy: -73.311
flat angles P-C4'-P energy: -56.364
tors. eta vs tors. theta energy: -100.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1117.051792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.051792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.051792 (E_RNA)
where:
Base-Base interactions energy: -753.459
where: short stacking energy: -319.542
Base-Backbone interact. energy: -0.672
local terms energy: -362.920325
where:
bonds (distance) C4'-P energy: -65.882
bonds (distance) P-C4' energy: -63.599
flat angles C4'-P-C4' energy: -78.964
flat angles P-C4'-P energy: -49.694
tors. eta vs tors. theta energy: -104.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -974.783170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.783170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.783170 (E_RNA)
where:
Base-Base interactions energy: -675.037
where: short stacking energy: -265.711
Base-Backbone interact. energy: -2.137
local terms energy: -297.609080
where:
bonds (distance) C4'-P energy: -66.421
bonds (distance) P-C4' energy: -53.802
flat angles C4'-P-C4' energy: -64.613
flat angles P-C4'-P energy: -39.903
tors. eta vs tors. theta energy: -72.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -925.552243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.552243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.552243 (E_RNA)
where:
Base-Base interactions energy: -612.897
where: short stacking energy: -263.915
Base-Backbone interact. energy: -0.352
local terms energy: -312.302920
where:
bonds (distance) C4'-P energy: -63.427
bonds (distance) P-C4' energy: -68.964
flat angles C4'-P-C4' energy: -62.543
flat angles P-C4'-P energy: -48.534
tors. eta vs tors. theta energy: -68.835
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: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -829.306623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.306623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.306623 (E_RNA)
where:
Base-Base interactions energy: -532.229
where: short stacking energy: -209.160
Base-Backbone interact. energy: -1.325
local terms energy: -295.752599
where:
bonds (distance) C4'-P energy: -59.806
bonds (distance) P-C4' energy: -69.678
flat angles C4'-P-C4' energy: -57.375
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -61.828
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: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -730.201516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.201516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.201516 (E_RNA)
where:
Base-Base interactions energy: -456.278
where: short stacking energy: -219.685
Base-Backbone interact. energy: 0.666
local terms energy: -274.589769
where:
bonds (distance) C4'-P energy: -60.651
bonds (distance) P-C4' energy: -66.282
flat angles C4'-P-C4' energy: -54.537
flat angles P-C4'-P energy: -34.103
tors. eta vs tors. theta energy: -59.016
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: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -698.586396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.586396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.586396 (E_RNA)
where:
Base-Base interactions energy: -449.520
where: short stacking energy: -201.925
Base-Backbone interact. energy: -0.357
local terms energy: -248.709620
where:
bonds (distance) C4'-P energy: -50.813
bonds (distance) P-C4' energy: -58.502
flat angles C4'-P-C4' energy: -57.233
flat angles P-C4'-P energy: -31.573
tors. eta vs tors. theta energy: -50.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -525.015837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.015837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.015837 (E_RNA)
where:
Base-Base interactions energy: -318.228
where: short stacking energy: -161.288
Base-Backbone interact. energy: -1.026
local terms energy: -208.326964
where:
bonds (distance) C4'-P energy: -46.203
bonds (distance) P-C4' energy: -49.822
flat angles C4'-P-C4' energy: -49.301
flat angles P-C4'-P energy: -32.283
tors. eta vs tors. theta energy: -30.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.565 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -428.550473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.550473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.550473 (E_RNA)
where:
Base-Base interactions energy: -219.294
where: short stacking energy: -149.452
Base-Backbone interact. energy: 0.604
local terms energy: -209.860128
where:
bonds (distance) C4'-P energy: -61.660
bonds (distance) P-C4' energy: -63.759
flat angles C4'-P-C4' energy: -40.134
flat angles P-C4'-P energy: -29.942
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: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -340.351556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.351556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.351556 (E_RNA)
where:
Base-Base interactions energy: -172.528
where: short stacking energy: -91.657
Base-Backbone interact. energy: 2.290
local terms energy: -170.113554
where:
bonds (distance) C4'-P energy: -43.482
bonds (distance) P-C4' energy: -53.318
flat angles C4'-P-C4' energy: -56.453
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: 10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1150.468154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.468154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.468154 (E_RNA)
where:
Base-Base interactions energy: -792.822
where: short stacking energy: -316.770
Base-Backbone interact. energy: -1.148
local terms energy: -356.498951
where:
bonds (distance) C4'-P energy: -64.554
bonds (distance) P-C4' energy: -73.806
flat angles C4'-P-C4' energy: -69.157
flat angles P-C4'-P energy: -51.300
tors. eta vs tors. theta energy: -97.682
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: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1091.246741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.246741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.246741 (E_RNA)
where:
Base-Base interactions energy: -729.238
where: short stacking energy: -314.132
Base-Backbone interact. energy: -0.228
local terms energy: -361.781691
where:
bonds (distance) C4'-P energy: -67.016
bonds (distance) P-C4' energy: -66.343
flat angles C4'-P-C4' energy: -72.344
flat angles P-C4'-P energy: -54.141
tors. eta vs tors. theta energy: -101.938
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: 413
Temperature: 1.000000
Total energy: -1007.131699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.131699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.131699 (E_RNA)
where:
Base-Base interactions energy: -691.915
where: short stacking energy: -282.602
Base-Backbone interact. energy: 1.477
local terms energy: -316.694131
where:
bonds (distance) C4'-P energy: -69.773
bonds (distance) P-C4' energy: -50.745
flat angles C4'-P-C4' energy: -62.643
flat angles P-C4'-P energy: -41.874
tors. eta vs tors. theta energy: -91.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -980.111433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.111433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.111433 (E_RNA)
where:
Base-Base interactions energy: -670.793
where: short stacking energy: -280.256
Base-Backbone interact. energy: -1.526
local terms energy: -308.703360
where:
bonds (distance) C4'-P energy: -51.869
bonds (distance) P-C4' energy: -56.223
flat angles C4'-P-C4' energy: -66.944
flat angles P-C4'-P energy: -40.870
tors. eta vs tors. theta energy: -92.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.911 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -832.708461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.708461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.708461 (E_RNA)
where:
Base-Base interactions energy: -537.964
where: short stacking energy: -224.264
Base-Backbone interact. energy: -2.422
local terms energy: -292.322186
where:
bonds (distance) C4'-P energy: -62.223
bonds (distance) P-C4' energy: -61.910
flat angles C4'-P-C4' energy: -67.808
flat angles P-C4'-P energy: -46.002
tors. eta vs tors. theta energy: -54.379
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: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -737.544447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.544447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.544447 (E_RNA)
where:
Base-Base interactions energy: -456.841
where: short stacking energy: -213.081
Base-Backbone interact. energy: -1.346
local terms energy: -279.358191
where:
bonds (distance) C4'-P energy: -48.614
bonds (distance) P-C4' energy: -71.249
flat angles C4'-P-C4' energy: -64.130
flat angles P-C4'-P energy: -39.343
tors. eta vs tors. theta energy: -56.022
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: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -693.398462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.398462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.398462 (E_RNA)
where:
Base-Base interactions energy: -450.253
where: short stacking energy: -181.880
Base-Backbone interact. energy: -1.059
local terms energy: -242.086012
where:
bonds (distance) C4'-P energy: -56.638
bonds (distance) P-C4' energy: -52.635
flat angles C4'-P-C4' energy: -63.705
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: -33.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -561.805312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.805312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.805312 (E_RNA)
where:
Base-Base interactions energy: -339.504
where: short stacking energy: -143.195
Base-Backbone interact. energy: 2.928
local terms energy: -225.229338
where:
bonds (distance) C4'-P energy: -59.151
bonds (distance) P-C4' energy: -58.134
flat angles C4'-P-C4' energy: -59.141
flat angles P-C4'-P energy: -28.441
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -398.320508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.320508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.320508 (E_RNA)
where:
Base-Base interactions energy: -205.497
where: short stacking energy: -123.110
Base-Backbone interact. energy: -0.919
local terms energy: -191.904932
where:
bonds (distance) C4'-P energy: -48.271
bonds (distance) P-C4' energy: -60.872
flat angles C4'-P-C4' energy: -57.849
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -308.018273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.018273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.018273 (E_RNA)
where:
Base-Base interactions energy: -127.668
where: short stacking energy: -83.678
Base-Backbone interact. energy: -2.995
local terms energy: -177.355797
where:
bonds (distance) C4'-P energy: -54.019
bonds (distance) P-C4' energy: -43.642
flat angles C4'-P-C4' energy: -46.324
flat angles P-C4'-P energy: -40.396
tors. eta vs tors. theta energy: 7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1128.255220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.255220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.255220 (E_RNA)
where:
Base-Base interactions energy: -775.149
where: short stacking energy: -297.673
Base-Backbone interact. energy: -1.391
local terms energy: -351.714432
where:
bonds (distance) C4'-P energy: -66.112
bonds (distance) P-C4' energy: -72.694
flat angles C4'-P-C4' energy: -69.096
flat angles P-C4'-P energy: -49.473
tors. eta vs tors. theta energy: -94.339
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: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1089.973724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.973724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.973724 (E_RNA)
where:
Base-Base interactions energy: -724.132
where: short stacking energy: -302.073
Base-Backbone interact. energy: 0.805
local terms energy: -366.646701
where:
bonds (distance) C4'-P energy: -59.537
bonds (distance) P-C4' energy: -78.051
flat angles C4'-P-C4' energy: -82.266
flat angles P-C4'-P energy: -49.509
tors. eta vs tors. theta energy: -97.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -988.567911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.567911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.567911 (E_RNA)
where:
Base-Base interactions energy: -642.378
where: short stacking energy: -285.816
Base-Backbone interact. energy: 0.366
local terms energy: -346.556535
where:
bonds (distance) C4'-P energy: -61.366
bonds (distance) P-C4' energy: -66.721
flat angles C4'-P-C4' energy: -75.343
flat angles P-C4'-P energy: -50.272
tors. eta vs tors. theta energy: -92.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -980.302840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.302840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.302840 (E_RNA)
where:
Base-Base interactions energy: -657.505
where: short stacking energy: -270.635
Base-Backbone interact. energy: -0.644
local terms energy: -322.153202
where:
bonds (distance) C4'-P energy: -62.740
bonds (distance) P-C4' energy: -60.338
flat angles C4'-P-C4' energy: -64.178
flat angles P-C4'-P energy: -51.175
tors. eta vs tors. theta energy: -83.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -879.099670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.099670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.099670 (E_RNA)
where:
Base-Base interactions energy: -583.688
where: short stacking energy: -247.850
Base-Backbone interact. energy: 0.492
local terms energy: -295.903972
where:
bonds (distance) C4'-P energy: -69.899
bonds (distance) P-C4' energy: -49.307
flat angles C4'-P-C4' energy: -58.710
flat angles P-C4'-P energy: -47.550
tors. eta vs tors. theta energy: -70.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -712.446844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.446844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.446844 (E_RNA)
where:
Base-Base interactions energy: -418.792
where: short stacking energy: -189.638
Base-Backbone interact. energy: -2.147
local terms energy: -291.507650
where:
bonds (distance) C4'-P energy: -64.310
bonds (distance) P-C4' energy: -71.428
flat angles C4'-P-C4' energy: -59.963
flat angles P-C4'-P energy: -49.391
tors. eta vs tors. theta energy: -46.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -727.838606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.838606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.838606 (E_RNA)
where:
Base-Base interactions energy: -468.349
where: short stacking energy: -199.698
Base-Backbone interact. energy: -2.540
local terms energy: -256.949595
where:
bonds (distance) C4'-P energy: -48.789
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -60.725
flat angles P-C4'-P energy: -46.692
tors. eta vs tors. theta energy: -46.993
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: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -624.821133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.821133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.821133 (E_RNA)
where:
Base-Base interactions energy: -378.192
where: short stacking energy: -177.683
Base-Backbone interact. energy: 4.293
local terms energy: -251.506086
where:
bonds (distance) C4'-P energy: -56.586
bonds (distance) P-C4' energy: -62.478
flat angles C4'-P-C4' energy: -59.820
flat angles P-C4'-P energy: -41.096
tors. eta vs tors. theta energy: -31.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.584 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -421.868019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.868019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.868019 (E_RNA)
where:
Base-Base interactions energy: -221.378
where: short stacking energy: -133.666
Base-Backbone interact. energy: -0.447
local terms energy: -200.043513
where:
bonds (distance) C4'-P energy: -55.745
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -47.811
flat angles P-C4'-P energy: -24.215
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -263.773573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.773573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.773573 (E_RNA)
where:
Base-Base interactions energy: -96.171
where: short stacking energy: -77.232
Base-Backbone interact. energy: -0.463
local terms energy: -167.140297
where:
bonds (distance) C4'-P energy: -59.862
bonds (distance) P-C4' energy: -45.368
flat angles C4'-P-C4' energy: -52.178
flat angles P-C4'-P energy: -24.280
tors. eta vs tors. theta energy: 14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1106.613182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.613182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.613182 (E_RNA)
where:
Base-Base interactions energy: -744.052
where: short stacking energy: -302.446
Base-Backbone interact. energy: 0.647
local terms energy: -363.208109
where:
bonds (distance) C4'-P energy: -68.756
bonds (distance) P-C4' energy: -74.004
flat angles C4'-P-C4' energy: -66.116
flat angles P-C4'-P energy: -54.349
tors. eta vs tors. theta energy: -99.983
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: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1104.138269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.138269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.138269 (E_RNA)
where:
Base-Base interactions energy: -733.906
where: short stacking energy: -309.051
Base-Backbone interact. energy: -1.332
local terms energy: -368.962816
where:
bonds (distance) C4'-P energy: -66.443
bonds (distance) P-C4' energy: -73.254
flat angles C4'-P-C4' energy: -66.832
flat angles P-C4'-P energy: -59.647
tors. eta vs tors. theta energy: -102.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.062 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -991.875629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.875629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.875629 (E_RNA)
where:
Base-Base interactions energy: -663.075
where: short stacking energy: -284.209
Base-Backbone interact. energy: 1.069
local terms energy: -329.868692
where:
bonds (distance) C4'-P energy: -52.929
bonds (distance) P-C4' energy: -61.021
flat angles C4'-P-C4' energy: -74.528
flat angles P-C4'-P energy: -50.638
tors. eta vs tors. theta energy: -90.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1015.452851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.452851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.452851 (E_RNA)
where:
Base-Base interactions energy: -690.833
where: short stacking energy: -281.570
Base-Backbone interact. energy: -1.552
local terms energy: -323.068142
where:
bonds (distance) C4'-P energy: -68.307
bonds (distance) P-C4' energy: -53.240
flat angles C4'-P-C4' energy: -69.169
flat angles P-C4'-P energy: -41.214
tors. eta vs tors. theta energy: -91.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -872.075890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.075890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.075890 (E_RNA)
where:
Base-Base interactions energy: -572.956
where: short stacking energy: -248.845
Base-Backbone interact. energy: -0.960
local terms energy: -298.159541
where:
bonds (distance) C4'-P energy: -66.307
bonds (distance) P-C4' energy: -57.096
flat angles C4'-P-C4' energy: -68.478
flat angles P-C4'-P energy: -39.744
tors. eta vs tors. theta energy: -66.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -697.399332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.399332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.399332 (E_RNA)
where:
Base-Base interactions energy: -406.949
where: short stacking energy: -195.336
Base-Backbone interact. energy: -3.055
local terms energy: -287.395292
where:
bonds (distance) C4'-P energy: -63.433
bonds (distance) P-C4' energy: -60.346
flat angles C4'-P-C4' energy: -69.591
flat angles P-C4'-P energy: -41.644
tors. eta vs tors. theta energy: -52.382
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: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -727.862388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.862388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.862388 (E_RNA)
where:
Base-Base interactions energy: -452.735
where: short stacking energy: -210.629
Base-Backbone interact. energy: -2.378
local terms energy: -272.750126
where:
bonds (distance) C4'-P energy: -58.608
bonds (distance) P-C4' energy: -67.187
flat angles C4'-P-C4' energy: -55.390
flat angles P-C4'-P energy: -31.990
tors. eta vs tors. theta energy: -59.575
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: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -597.440649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.440649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.440649 (E_RNA)
where:
Base-Base interactions energy: -349.912
where: short stacking energy: -161.768
Base-Backbone interact. energy: 2.260
local terms energy: -249.788267
where:
bonds (distance) C4'-P energy: -48.634
bonds (distance) P-C4' energy: -72.181
flat angles C4'-P-C4' energy: -50.268
flat angles P-C4'-P energy: -41.499
tors. eta vs tors. theta energy: -37.207
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: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -427.606963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.606963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.606963 (E_RNA)
where:
Base-Base interactions energy: -249.297
where: short stacking energy: -135.946
Base-Backbone interact. energy: 0.176
local terms energy: -178.485345
where:
bonds (distance) C4'-P energy: -43.699
bonds (distance) P-C4' energy: -48.939
flat angles C4'-P-C4' energy: -50.932
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -258.113757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.113757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.113757 (E_RNA)
where:
Base-Base interactions energy: -83.213
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.616
local terms energy: -174.284735
where:
bonds (distance) C4'-P energy: -59.198
bonds (distance) P-C4' energy: -57.949
flat angles C4'-P-C4' energy: -48.383
flat angles P-C4'-P energy: -21.602
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: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1115.030781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.030781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.030781 (E_RNA)
where:
Base-Base interactions energy: -755.973
where: short stacking energy: -317.367
Base-Backbone interact. energy: -1.183
local terms energy: -357.874322
where:
bonds (distance) C4'-P energy: -72.395
bonds (distance) P-C4' energy: -72.497
flat angles C4'-P-C4' energy: -72.393
flat angles P-C4'-P energy: -44.117
tors. eta vs tors. theta energy: -96.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1082.911989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.911989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.911989 (E_RNA)
where:
Base-Base interactions energy: -744.243
where: short stacking energy: -289.465
Base-Backbone interact. energy: -1.206
local terms energy: -337.462768
where:
bonds (distance) C4'-P energy: -64.078
bonds (distance) P-C4' energy: -66.973
flat angles C4'-P-C4' energy: -70.654
flat angles P-C4'-P energy: -48.436
tors. eta vs tors. theta energy: -87.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1043.569953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.569953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.569953 (E_RNA)
where:
Base-Base interactions energy: -705.969
where: short stacking energy: -302.186
Base-Backbone interact. energy: -1.665
local terms energy: -335.936342
where:
bonds (distance) C4'-P energy: -67.418
bonds (distance) P-C4' energy: -62.657
flat angles C4'-P-C4' energy: -75.400
flat angles P-C4'-P energy: -50.467
tors. eta vs tors. theta energy: -79.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -962.632016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.632016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.632016 (E_RNA)
where:
Base-Base interactions energy: -638.239
where: short stacking energy: -274.764
Base-Backbone interact. energy: -0.658
local terms energy: -323.735656
where:
bonds (distance) C4'-P energy: -65.737
bonds (distance) P-C4' energy: -63.708
flat angles C4'-P-C4' energy: -66.503
flat angles P-C4'-P energy: -40.386
tors. eta vs tors. theta energy: -87.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -862.165669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.165669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.165669 (E_RNA)
where:
Base-Base interactions energy: -568.075
where: short stacking energy: -255.740
Base-Backbone interact. energy: -0.665
local terms energy: -293.425716
where:
bonds (distance) C4'-P energy: -60.577
bonds (distance) P-C4' energy: -53.072
flat angles C4'-P-C4' energy: -65.062
flat angles P-C4'-P energy: -43.799
tors. eta vs tors. theta energy: -70.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -721.353033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.353033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.353033 (E_RNA)
where:
Base-Base interactions energy: -434.405
where: short stacking energy: -211.082
Base-Backbone interact. energy: 2.180
local terms energy: -289.367160
where:
bonds (distance) C4'-P energy: -57.062
bonds (distance) P-C4' energy: -67.430
flat angles C4'-P-C4' energy: -60.391
flat angles P-C4'-P energy: -51.334
tors. eta vs tors. theta energy: -53.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.239 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -701.271274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.271274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.271274 (E_RNA)
where:
Base-Base interactions energy: -446.570
where: short stacking energy: -194.318
Base-Backbone interact. energy: -0.423
local terms energy: -254.278282
where:
bonds (distance) C4'-P energy: -54.175
bonds (distance) P-C4' energy: -58.707
flat angles C4'-P-C4' energy: -59.431
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -46.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -564.008724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.008724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.008724 (E_RNA)
where:
Base-Base interactions energy: -333.048
where: short stacking energy: -163.397
Base-Backbone interact. energy: -1.445
local terms energy: -229.516194
where:
bonds (distance) C4'-P energy: -55.889
bonds (distance) P-C4' energy: -58.279
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -33.141
tors. eta vs tors. theta energy: -30.498
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: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -405.062043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.062043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.062043 (E_RNA)
where:
Base-Base interactions energy: -204.008
where: short stacking energy: -115.963
Base-Backbone interact. energy: 0.799
local terms energy: -201.853112
where:
bonds (distance) C4'-P energy: -49.939
bonds (distance) P-C4' energy: -61.845
flat angles C4'-P-C4' energy: -49.184
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -11.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -276.419402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.419402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.419402 (E_RNA)
where:
Base-Base interactions energy: -94.757
where: short stacking energy: -63.407
Base-Backbone interact. energy: -3.128
local terms energy: -178.534640
where:
bonds (distance) C4'-P energy: -58.780
bonds (distance) P-C4' energy: -55.048
flat angles C4'-P-C4' energy: -51.752
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: 16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1128.218269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.218269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.218269 (E_RNA)
where:
Base-Base interactions energy: -767.663
where: short stacking energy: -335.929
Base-Backbone interact. energy: -1.078
local terms energy: -359.476300
where:
bonds (distance) C4'-P energy: -69.588
bonds (distance) P-C4' energy: -61.923
flat angles C4'-P-C4' energy: -73.270
flat angles P-C4'-P energy: -50.579
tors. eta vs tors. theta energy: -104.116
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: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1080.441696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.441696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.441696 (E_RNA)
where:
Base-Base interactions energy: -733.200
where: short stacking energy: -297.439
Base-Backbone interact. energy: -0.072
local terms energy: -347.169954
where:
bonds (distance) C4'-P energy: -59.019
bonds (distance) P-C4' energy: -66.700
flat angles C4'-P-C4' energy: -80.971
flat angles P-C4'-P energy: -46.740
tors. eta vs tors. theta energy: -93.740
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: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1034.644809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.644809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.644809 (E_RNA)
where:
Base-Base interactions energy: -709.205
where: short stacking energy: -288.307
Base-Backbone interact. energy: 1.359
local terms energy: -326.798474
where:
bonds (distance) C4'-P energy: -60.181
bonds (distance) P-C4' energy: -66.660
flat angles C4'-P-C4' energy: -69.685
flat angles P-C4'-P energy: -50.285
tors. eta vs tors. theta energy: -79.987
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: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -930.752695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.752695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.752695 (E_RNA)
where:
Base-Base interactions energy: -614.371
where: short stacking energy: -274.258
Base-Backbone interact. energy: -0.622
local terms energy: -315.759229
where:
bonds (distance) C4'-P energy: -64.066
bonds (distance) P-C4' energy: -63.901
flat angles C4'-P-C4' energy: -61.699
flat angles P-C4'-P energy: -44.644
tors. eta vs tors. theta energy: -81.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -871.213116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.213116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.213116 (E_RNA)
where:
Base-Base interactions energy: -574.854
where: short stacking energy: -255.564
Base-Backbone interact. energy: -0.141
local terms energy: -296.218424
where:
bonds (distance) C4'-P energy: -58.319
bonds (distance) P-C4' energy: -69.242
flat angles C4'-P-C4' energy: -61.119
flat angles P-C4'-P energy: -41.972
tors. eta vs tors. theta energy: -65.566
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: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -711.440012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.440012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.440012 (E_RNA)
where:
Base-Base interactions energy: -435.368
where: short stacking energy: -202.095
Base-Backbone interact. energy: -0.808
local terms energy: -275.264203
where:
bonds (distance) C4'-P energy: -64.850
bonds (distance) P-C4' energy: -57.487
flat angles C4'-P-C4' energy: -62.200
flat angles P-C4'-P energy: -37.952
tors. eta vs tors. theta energy: -52.775
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: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -698.821632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.821632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.821632 (E_RNA)
where:
Base-Base interactions energy: -447.573
where: short stacking energy: -185.286
Base-Backbone interact. energy: -0.820
local terms energy: -250.429236
where:
bonds (distance) C4'-P energy: -55.667
bonds (distance) P-C4' energy: -57.260
flat angles C4'-P-C4' energy: -56.353
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -38.721
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: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -556.869254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.869254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.869254 (E_RNA)
where:
Base-Base interactions energy: -322.466
where: short stacking energy: -168.596
Base-Backbone interact. energy: -0.664
local terms energy: -233.739615
where:
bonds (distance) C4'-P energy: -54.786
bonds (distance) P-C4' energy: -54.367
flat angles C4'-P-C4' energy: -64.881
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -29.970
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: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -385.607016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.607016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.607016 (E_RNA)
where:
Base-Base interactions energy: -176.262
where: short stacking energy: -94.844
Base-Backbone interact. energy: 2.192
local terms energy: -211.537108
where:
bonds (distance) C4'-P energy: -63.577
bonds (distance) P-C4' energy: -64.704
flat angles C4'-P-C4' energy: -61.677
flat angles P-C4'-P energy: -25.686
tors. eta vs tors. theta energy: 4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -280.528857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.528857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.528857 (E_RNA)
where:
Base-Base interactions energy: -99.622
where: short stacking energy: -79.132
Base-Backbone interact. energy: -1.828
local terms energy: -179.078892
where:
bonds (distance) C4'-P energy: -55.853
bonds (distance) P-C4' energy: -52.426
flat angles C4'-P-C4' energy: -48.808
flat angles P-C4'-P energy: -30.099
tors. eta vs tors. theta energy: 8.107
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: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1110.593007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.593007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.593007 (E_RNA)
where:
Base-Base interactions energy: -768.048
where: short stacking energy: -304.593
Base-Backbone interact. energy: 0.448
local terms energy: -342.993554
where:
bonds (distance) C4'-P energy: -59.210
bonds (distance) P-C4' energy: -66.132
flat angles C4'-P-C4' energy: -75.816
flat angles P-C4'-P energy: -48.822
tors. eta vs tors. theta energy: -93.013
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: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1088.698458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.698458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.698458 (E_RNA)
where:
Base-Base interactions energy: -731.673
where: short stacking energy: -302.996
Base-Backbone interact. energy: -1.114
local terms energy: -355.911717
where:
bonds (distance) C4'-P energy: -63.739
bonds (distance) P-C4' energy: -67.754
flat angles C4'-P-C4' energy: -72.157
flat angles P-C4'-P energy: -51.801
tors. eta vs tors. theta energy: -100.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1045.174356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.174356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.174356 (E_RNA)
where:
Base-Base interactions energy: -699.314
where: short stacking energy: -292.149
Base-Backbone interact. energy: -1.283
local terms energy: -344.577856
where:
bonds (distance) C4'-P energy: -70.902
bonds (distance) P-C4' energy: -53.879
flat angles C4'-P-C4' energy: -75.500
flat angles P-C4'-P energy: -49.710
tors. eta vs tors. theta energy: -94.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -938.307059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.307059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.307059 (E_RNA)
where:
Base-Base interactions energy: -630.110
where: short stacking energy: -252.919
Base-Backbone interact. energy: -0.466
local terms energy: -307.730948
where:
bonds (distance) C4'-P energy: -67.545
bonds (distance) P-C4' energy: -56.181
flat angles C4'-P-C4' energy: -75.541
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -68.640
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: 10
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -864.717416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.717416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.717416 (E_RNA)
where:
Base-Base interactions energy: -586.169
where: short stacking energy: -236.348
Base-Backbone interact. energy: -0.190
local terms energy: -278.358438
where:
bonds (distance) C4'-P energy: -56.977
bonds (distance) P-C4' energy: -58.826
flat angles C4'-P-C4' energy: -61.007
flat angles P-C4'-P energy: -39.993
tors. eta vs tors. theta energy: -61.556
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: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -703.350654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.350654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.350654 (E_RNA)
where:
Base-Base interactions energy: -446.876
where: short stacking energy: -220.799
Base-Backbone interact. energy: -0.597
local terms energy: -255.877690
where:
bonds (distance) C4'-P energy: -44.365
bonds (distance) P-C4' energy: -51.562
flat angles C4'-P-C4' energy: -62.620
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: -57.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -728.438714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.438714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.438714 (E_RNA)
where:
Base-Base interactions energy: -461.409
where: short stacking energy: -214.157
Base-Backbone interact. energy: -0.474
local terms energy: -266.556545
where:
bonds (distance) C4'-P energy: -55.956
bonds (distance) P-C4' energy: -60.238
flat angles C4'-P-C4' energy: -63.269
flat angles P-C4'-P energy: -37.753
tors. eta vs tors. theta energy: -49.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -575.715430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.715430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.715430 (E_RNA)
where:
Base-Base interactions energy: -334.754
where: short stacking energy: -156.332
Base-Backbone interact. energy: 0.089
local terms energy: -241.050470
where:
bonds (distance) C4'-P energy: -56.932
bonds (distance) P-C4' energy: -57.699
flat angles C4'-P-C4' energy: -67.523
flat angles P-C4'-P energy: -32.898
tors. eta vs tors. theta energy: -25.997
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: 418
Temperature: 1.300000
Total energy: -408.545425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.545425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.545425 (E_RNA)
where:
Base-Base interactions energy: -177.583
where: short stacking energy: -99.252
Base-Backbone interact. energy: -0.756
local terms energy: -230.206326
where:
bonds (distance) C4'-P energy: -60.251
bonds (distance) P-C4' energy: -63.220
flat angles C4'-P-C4' energy: -62.172
flat angles P-C4'-P energy: -39.059
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -275.808950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.808950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.808950 (E_RNA)
where:
Base-Base interactions energy: -78.945
where: short stacking energy: -63.720
Base-Backbone interact. energy: -1.146
local terms energy: -195.717604
where:
bonds (distance) C4'-P energy: -58.584
bonds (distance) P-C4' energy: -63.229
flat angles C4'-P-C4' energy: -42.474
flat angles P-C4'-P energy: -34.177
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: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1128.656882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.656882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.656882 (E_RNA)
where:
Base-Base interactions energy: -786.120
where: short stacking energy: -297.971
Base-Backbone interact. energy: -0.546
local terms energy: -341.990523
where:
bonds (distance) C4'-P energy: -73.291
bonds (distance) P-C4' energy: -50.142
flat angles C4'-P-C4' energy: -79.646
flat angles P-C4'-P energy: -47.834
tors. eta vs tors. theta energy: -91.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1113.474130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.474130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.474130 (E_RNA)
where:
Base-Base interactions energy: -772.914
where: short stacking energy: -319.473
Base-Backbone interact. energy: 1.299
local terms energy: -341.859239
where:
bonds (distance) C4'-P energy: -62.145
bonds (distance) P-C4' energy: -57.925
flat angles C4'-P-C4' energy: -76.785
flat angles P-C4'-P energy: -49.019
tors. eta vs tors. theta energy: -95.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1059.476914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.476914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.476914 (E_RNA)
where:
Base-Base interactions energy: -709.215
where: short stacking energy: -303.260
Base-Backbone interact. energy: -1.544
local terms energy: -348.717952
where:
bonds (distance) C4'-P energy: -69.128
bonds (distance) P-C4' energy: -53.468
flat angles C4'-P-C4' energy: -75.953
flat angles P-C4'-P energy: -53.853
tors. eta vs tors. theta energy: -96.315
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: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -927.284975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.284975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.284975 (E_RNA)
where:
Base-Base interactions energy: -616.805
where: short stacking energy: -256.843
Base-Backbone interact. energy: -1.594
local terms energy: -308.886532
where:
bonds (distance) C4'-P energy: -63.882
bonds (distance) P-C4' energy: -61.408
flat angles C4'-P-C4' energy: -65.247
flat angles P-C4'-P energy: -46.451
tors. eta vs tors. theta energy: -71.899
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: 10
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -869.506945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.506945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.506945 (E_RNA)
where:
Base-Base interactions energy: -581.463
where: short stacking energy: -238.716
Base-Backbone interact. energy: -1.559
local terms energy: -286.485630
where:
bonds (distance) C4'-P energy: -64.556
bonds (distance) P-C4' energy: -56.054
flat angles C4'-P-C4' energy: -52.567
flat angles P-C4'-P energy: -44.083
tors. eta vs tors. theta energy: -69.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -796.646391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.646391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.646391 (E_RNA)
where:
Base-Base interactions energy: -532.839
where: short stacking energy: -248.649
Base-Backbone interact. energy: 1.235
local terms energy: -265.041856
where:
bonds (distance) C4'-P energy: -62.332
bonds (distance) P-C4' energy: -54.384
flat angles C4'-P-C4' energy: -58.697
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -64.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -687.064893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.064893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.064893 (E_RNA)
where:
Base-Base interactions energy: -445.378
where: short stacking energy: -184.038
Base-Backbone interact. energy: -0.855
local terms energy: -240.831992
where:
bonds (distance) C4'-P energy: -53.120
bonds (distance) P-C4' energy: -54.010
flat angles C4'-P-C4' energy: -54.693
flat angles P-C4'-P energy: -33.259
tors. eta vs tors. theta energy: -45.749
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: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -596.020088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.020088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.020088 (E_RNA)
where:
Base-Base interactions energy: -374.278
where: short stacking energy: -163.086
Base-Backbone interact. energy: -1.408
local terms energy: -220.334182
where:
bonds (distance) C4'-P energy: -45.572
bonds (distance) P-C4' energy: -44.972
flat angles C4'-P-C4' energy: -54.330
flat angles P-C4'-P energy: -43.641
tors. eta vs tors. theta energy: -31.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -411.617623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.617623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.617623 (E_RNA)
where:
Base-Base interactions energy: -228.415
where: short stacking energy: -93.523
Base-Backbone interact. energy: 0.038
local terms energy: -183.241481
where:
bonds (distance) C4'-P energy: -51.733
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -62.607
flat angles P-C4'-P energy: -33.278
tors. eta vs tors. theta energy: 1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -296.628259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.628259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.628259 (E_RNA)
where:
Base-Base interactions energy: -93.655
where: short stacking energy: -91.035
Base-Backbone interact. energy: -1.761
local terms energy: -201.626366
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -62.136
flat angles C4'-P-C4' energy: -50.464
flat angles P-C4'-P energy: -30.612
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.415 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1152.466265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.466265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.466265 (E_RNA)
where:
Base-Base interactions energy: -792.063
where: short stacking energy: -349.713
Base-Backbone interact. energy: 0.792
local terms energy: -361.196038
where:
bonds (distance) C4'-P energy: -60.605
bonds (distance) P-C4' energy: -64.525
flat angles C4'-P-C4' energy: -70.340
flat angles P-C4'-P energy: -57.481
tors. eta vs tors. theta energy: -108.245
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: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1092.254380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.254380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.254380 (E_RNA)
where:
Base-Base interactions energy: -751.859
where: short stacking energy: -318.166
Base-Backbone interact. energy: -0.067
local terms energy: -340.328342
where:
bonds (distance) C4'-P energy: -59.025
bonds (distance) P-C4' energy: -74.468
flat angles C4'-P-C4' energy: -70.446
flat angles P-C4'-P energy: -39.135
tors. eta vs tors. theta energy: -97.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1033.306085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.306085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.306085 (E_RNA)
where:
Base-Base interactions energy: -709.488
where: short stacking energy: -300.475
Base-Backbone interact. energy: -0.078
local terms energy: -323.740517
where:
bonds (distance) C4'-P energy: -60.391
bonds (distance) P-C4' energy: -61.384
flat angles C4'-P-C4' energy: -74.206
flat angles P-C4'-P energy: -43.285
tors. eta vs tors. theta energy: -84.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -959.281930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.281930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.281930 (E_RNA)
where:
Base-Base interactions energy: -648.762
where: short stacking energy: -298.080
Base-Backbone interact. energy: -1.039
local terms energy: -309.480612
where:
bonds (distance) C4'-P energy: -53.686
bonds (distance) P-C4' energy: -62.196
flat angles C4'-P-C4' energy: -69.931
flat angles P-C4'-P energy: -46.261
tors. eta vs tors. theta energy: -77.406
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: 10
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -867.801792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.801792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.801792 (E_RNA)
where:
Base-Base interactions energy: -590.725
where: short stacking energy: -247.277
Base-Backbone interact. energy: -2.059
local terms energy: -275.017219
where:
bonds (distance) C4'-P energy: -50.200
bonds (distance) P-C4' energy: -53.299
flat angles C4'-P-C4' energy: -63.451
flat angles P-C4'-P energy: -31.745
tors. eta vs tors. theta energy: -76.323
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: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -792.544807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.544807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.544807 (E_RNA)
where:
Base-Base interactions energy: -502.344
where: short stacking energy: -238.836
Base-Backbone interact. energy: -0.778
local terms energy: -289.423142
where:
bonds (distance) C4'-P energy: -60.257
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -65.938
flat angles P-C4'-P energy: -43.316
tors. eta vs tors. theta energy: -60.816
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: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -659.376691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.376691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.376691 (E_RNA)
where:
Base-Base interactions energy: -415.491
where: short stacking energy: -195.362
Base-Backbone interact. energy: -1.333
local terms energy: -242.552616
where:
bonds (distance) C4'-P energy: -50.862
bonds (distance) P-C4' energy: -55.563
flat angles C4'-P-C4' energy: -60.319
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -47.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -555.238065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.238065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.238065 (E_RNA)
where:
Base-Base interactions energy: -325.003
where: short stacking energy: -162.421
Base-Backbone interact. energy: -1.103
local terms energy: -229.131668
where:
bonds (distance) C4'-P energy: -60.666
bonds (distance) P-C4' energy: -65.820
flat angles C4'-P-C4' energy: -62.717
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -28.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -292.537650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.537650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.537650 (E_RNA)
where:
Base-Base interactions energy: -94.856
where: short stacking energy: -80.163
Base-Backbone interact. energy: 1.079
local terms energy: -198.760393
where:
bonds (distance) C4'-P energy: -56.189
bonds (distance) P-C4' energy: -63.808
flat angles C4'-P-C4' energy: -51.059
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -3.938
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: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -387.523195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.523195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.523195 (E_RNA)
where:
Base-Base interactions energy: -194.980
where: short stacking energy: -105.263
Base-Backbone interact. energy: -1.251
local terms energy: -191.292669
where:
bonds (distance) C4'-P energy: -46.571
bonds (distance) P-C4' energy: -59.933
flat angles C4'-P-C4' energy: -52.648
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1177.172616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.172616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.172616 (E_RNA)
where:
Base-Base interactions energy: -803.604
where: short stacking energy: -330.250
Base-Backbone interact. energy: 0.625
local terms energy: -374.194077
where:
bonds (distance) C4'-P energy: -69.548
bonds (distance) P-C4' energy: -61.539
flat angles C4'-P-C4' energy: -77.946
flat angles P-C4'-P energy: -56.034
tors. eta vs tors. theta energy: -109.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1108.955581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.955581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.955581 (E_RNA)
where:
Base-Base interactions energy: -763.993
where: short stacking energy: -316.541
Base-Backbone interact. energy: 0.299
local terms energy: -345.262511
where:
bonds (distance) C4'-P energy: -69.246
bonds (distance) P-C4' energy: -55.542
flat angles C4'-P-C4' energy: -76.326
flat angles P-C4'-P energy: -45.898
tors. eta vs tors. theta energy: -98.250
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: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1029.703742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.703742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.703742 (E_RNA)
where:
Base-Base interactions energy: -701.899
where: short stacking energy: -288.627
Base-Backbone interact. energy: -1.766
local terms energy: -326.038803
where:
bonds (distance) C4'-P energy: -58.955
bonds (distance) P-C4' energy: -67.968
flat angles C4'-P-C4' energy: -72.401
flat angles P-C4'-P energy: -36.722
tors. eta vs tors. theta energy: -89.992
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: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -945.891174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.891174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.891174 (E_RNA)
where:
Base-Base interactions energy: -635.437
where: short stacking energy: -281.177
Base-Backbone interact. energy: -0.639
local terms energy: -309.815384
where:
bonds (distance) C4'-P energy: -51.678
bonds (distance) P-C4' energy: -56.925
flat angles C4'-P-C4' energy: -65.420
flat angles P-C4'-P energy: -51.076
tors. eta vs tors. theta energy: -84.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -908.816242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.816242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.816242 (E_RNA)
where:
Base-Base interactions energy: -607.137
where: short stacking energy: -261.579
Base-Backbone interact. energy: 0.369
local terms energy: -302.378341
where:
bonds (distance) C4'-P energy: -54.109
bonds (distance) P-C4' energy: -64.217
flat angles C4'-P-C4' energy: -68.568
flat angles P-C4'-P energy: -40.869
tors. eta vs tors. theta energy: -74.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.331 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -797.733717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.733717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.733717 (E_RNA)
where:
Base-Base interactions energy: -504.611
where: short stacking energy: -226.878
Base-Backbone interact. energy: -0.389
local terms energy: -292.733182
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -65.923
flat angles C4'-P-C4' energy: -68.482
flat angles P-C4'-P energy: -41.901
tors. eta vs tors. theta energy: -58.483
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: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -618.185213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.185213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.185213 (E_RNA)
where:
Base-Base interactions energy: -389.740
where: short stacking energy: -168.173
Base-Backbone interact. energy: -0.835
local terms energy: -227.610163
where:
bonds (distance) C4'-P energy: -59.415
bonds (distance) P-C4' energy: -48.422
flat angles C4'-P-C4' energy: -54.180
flat angles P-C4'-P energy: -35.886
tors. eta vs tors. theta energy: -29.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -599.191644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.191644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.191644 (E_RNA)
where:
Base-Base interactions energy: -355.832
where: short stacking energy: -187.379
Base-Backbone interact. energy: -0.320
local terms energy: -243.040203
where:
bonds (distance) C4'-P energy: -53.079
bonds (distance) P-C4' energy: -62.611
flat angles C4'-P-C4' energy: -55.054
flat angles P-C4'-P energy: -34.559
tors. eta vs tors. theta energy: -37.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -306.837182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.837182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.837182 (E_RNA)
where:
Base-Base interactions energy: -103.918
where: short stacking energy: -74.429
Base-Backbone interact. energy: 0.715
local terms energy: -203.634256
where:
bonds (distance) C4'-P energy: -55.447
bonds (distance) P-C4' energy: -68.444
flat angles C4'-P-C4' energy: -64.678
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: 7.320
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: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -370.426453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.426453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.426453 (E_RNA)
where:
Base-Base interactions energy: -187.257
where: short stacking energy: -107.757
Base-Backbone interact. energy: -2.020
local terms energy: -181.148740
where:
bonds (distance) C4'-P energy: -45.038
bonds (distance) P-C4' energy: -52.021
flat angles C4'-P-C4' energy: -59.893
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: 0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1153.080936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.080936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.080936 (E_RNA)
where:
Base-Base interactions energy: -776.961
where: short stacking energy: -322.204
Base-Backbone interact. energy: 1.452
local terms energy: -377.571299
where:
bonds (distance) C4'-P energy: -70.054
bonds (distance) P-C4' energy: -72.980
flat angles C4'-P-C4' energy: -72.295
flat angles P-C4'-P energy: -58.740
tors. eta vs tors. theta energy: -103.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1102.579081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.579081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.579081 (E_RNA)
where:
Base-Base interactions energy: -738.914
where: short stacking energy: -308.622
Base-Backbone interact. energy: -1.821
local terms energy: -361.844860
where:
bonds (distance) C4'-P energy: -60.679
bonds (distance) P-C4' energy: -68.932
flat angles C4'-P-C4' energy: -77.197
flat angles P-C4'-P energy: -52.059
tors. eta vs tors. theta energy: -102.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1042.994220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.994220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.994220 (E_RNA)
where:
Base-Base interactions energy: -708.018
where: short stacking energy: -287.513
Base-Backbone interact. energy: -0.082
local terms energy: -334.894292
where:
bonds (distance) C4'-P energy: -64.173
bonds (distance) P-C4' energy: -69.461
flat angles C4'-P-C4' energy: -71.723
flat angles P-C4'-P energy: -44.016
tors. eta vs tors. theta energy: -85.521
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: 422
Temperature: 1.050000
Total energy: -933.657062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.657062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.657062 (E_RNA)
where:
Base-Base interactions energy: -611.987
where: short stacking energy: -247.474
Base-Backbone interact. energy: -0.188
local terms energy: -321.482077
where:
bonds (distance) C4'-P energy: -64.355
bonds (distance) P-C4' energy: -61.143
flat angles C4'-P-C4' energy: -70.112
flat angles P-C4'-P energy: -48.865
tors. eta vs tors. theta energy: -77.007
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: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -874.513074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.513074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.513074 (E_RNA)
where:
Base-Base interactions energy: -583.170
where: short stacking energy: -248.537
Base-Backbone interact. energy: 2.180
local terms energy: -294.472236
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -67.351
flat angles C4'-P-C4' energy: -69.662
flat angles P-C4'-P energy: -43.367
tors. eta vs tors. theta energy: -67.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.950 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -770.140004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.140004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.140004 (E_RNA)
where:
Base-Base interactions energy: -482.215
where: short stacking energy: -215.868
Base-Backbone interact. energy: -0.983
local terms energy: -286.941324
where:
bonds (distance) C4'-P energy: -55.362
bonds (distance) P-C4' energy: -67.565
flat angles C4'-P-C4' energy: -62.601
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: -60.555
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: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -663.849132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.849132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.849132 (E_RNA)
where:
Base-Base interactions energy: -401.703
where: short stacking energy: -195.816
Base-Backbone interact. energy: -0.018
local terms energy: -262.128928
where:
bonds (distance) C4'-P energy: -61.748
bonds (distance) P-C4' energy: -64.529
flat angles C4'-P-C4' energy: -55.303
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -583.858809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.858809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.858809 (E_RNA)
where:
Base-Base interactions energy: -335.434
where: short stacking energy: -165.644
Base-Backbone interact. energy: -2.791
local terms energy: -245.633735
where:
bonds (distance) C4'-P energy: -50.547
bonds (distance) P-C4' energy: -55.572
flat angles C4'-P-C4' energy: -57.964
flat angles P-C4'-P energy: -42.123
tors. eta vs tors. theta energy: -39.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -371.906273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.906273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.906273 (E_RNA)
where:
Base-Base interactions energy: -186.172
where: short stacking energy: -104.167
Base-Backbone interact. energy: 0.082
local terms energy: -185.816675
where:
bonds (distance) C4'-P energy: -57.227
bonds (distance) P-C4' energy: -63.276
flat angles C4'-P-C4' energy: -42.327
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -281.774188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.774188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.774188 (E_RNA)
where:
Base-Base interactions energy: -82.253
where: short stacking energy: -61.821
Base-Backbone interact. energy: -1.530
local terms energy: -197.990318
where:
bonds (distance) C4'-P energy: -58.688
bonds (distance) P-C4' energy: -61.443
flat angles C4'-P-C4' energy: -57.839
flat angles P-C4'-P energy: -35.094
tors. eta vs tors. theta energy: 15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1191.094757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.094757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.094757 (E_RNA)
where:
Base-Base interactions energy: -817.584
where: short stacking energy: -329.043
Base-Backbone interact. energy: -1.522
local terms energy: -371.988507
where:
bonds (distance) C4'-P energy: -72.893
bonds (distance) P-C4' energy: -63.767
flat angles C4'-P-C4' energy: -75.167
flat angles P-C4'-P energy: -52.246
tors. eta vs tors. theta energy: -107.915
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: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1106.248334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.248334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.248334 (E_RNA)
where:
Base-Base interactions energy: -738.208
where: short stacking energy: -307.203
Base-Backbone interact. energy: -1.620
local terms energy: -367.168804
where:
bonds (distance) C4'-P energy: -69.260
bonds (distance) P-C4' energy: -63.234
flat angles C4'-P-C4' energy: -77.188
flat angles P-C4'-P energy: -62.455
tors. eta vs tors. theta energy: -95.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.748 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1037.178123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.178123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.178123 (E_RNA)
where:
Base-Base interactions energy: -719.556
where: short stacking energy: -294.641
Base-Backbone interact. energy: -0.977
local terms energy: -316.645030
where:
bonds (distance) C4'-P energy: -61.054
bonds (distance) P-C4' energy: -59.654
flat angles C4'-P-C4' energy: -72.106
flat angles P-C4'-P energy: -39.993
tors. eta vs tors. theta energy: -83.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -964.009605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.009605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.009605 (E_RNA)
where:
Base-Base interactions energy: -646.602
where: short stacking energy: -249.631
Base-Backbone interact. energy: 1.886
local terms energy: -319.293600
where:
bonds (distance) C4'-P energy: -58.998
bonds (distance) P-C4' energy: -56.982
flat angles C4'-P-C4' energy: -68.685
flat angles P-C4'-P energy: -50.931
tors. eta vs tors. theta energy: -83.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -889.003790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.003790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.003790 (E_RNA)
where:
Base-Base interactions energy: -603.470
where: short stacking energy: -264.706
Base-Backbone interact. energy: -0.710
local terms energy: -284.823271
where:
bonds (distance) C4'-P energy: -47.899
bonds (distance) P-C4' energy: -55.004
flat angles C4'-P-C4' energy: -69.062
flat angles P-C4'-P energy: -44.164
tors. eta vs tors. theta energy: -68.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -789.085849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.085849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.085849 (E_RNA)
where:
Base-Base interactions energy: -508.804
where: short stacking energy: -211.506
Base-Backbone interact. energy: -0.063
local terms energy: -280.218577
where:
bonds (distance) C4'-P energy: -51.523
bonds (distance) P-C4' energy: -69.225
flat angles C4'-P-C4' energy: -55.232
flat angles P-C4'-P energy: -48.658
tors. eta vs tors. theta energy: -55.580
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: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -641.696445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.696445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.696445 (E_RNA)
where:
Base-Base interactions energy: -395.763
where: short stacking energy: -183.728
Base-Backbone interact. energy: 0.581
local terms energy: -246.514722
where:
bonds (distance) C4'-P energy: -52.190
bonds (distance) P-C4' energy: -65.222
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -35.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -596.810730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.810730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.810730 (E_RNA)
where:
Base-Base interactions energy: -364.461
where: short stacking energy: -169.172
Base-Backbone interact. energy: -2.058
local terms energy: -230.290896
where:
bonds (distance) C4'-P energy: -39.053
bonds (distance) P-C4' energy: -74.634
flat angles C4'-P-C4' energy: -50.193
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: -29.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -398.609129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.609129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.609129 (E_RNA)
where:
Base-Base interactions energy: -202.929
where: short stacking energy: -96.983
Base-Backbone interact. energy: -1.936
local terms energy: -193.743582
where:
bonds (distance) C4'-P energy: -54.524
bonds (distance) P-C4' energy: -54.873
flat angles C4'-P-C4' energy: -50.778
flat angles P-C4'-P energy: -25.933
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -275.029919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.029919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.029919 (E_RNA)
where:
Base-Base interactions energy: -109.002
where: short stacking energy: -99.466
Base-Backbone interact. energy: -0.681
local terms energy: -165.346898
where:
bonds (distance) C4'-P energy: -43.091
bonds (distance) P-C4' energy: -45.756
flat angles C4'-P-C4' energy: -43.025
flat angles P-C4'-P energy: -36.422
tors. eta vs tors. theta energy: 2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1184.448392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.448392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.448392 (E_RNA)
where:
Base-Base interactions energy: -814.331
where: short stacking energy: -331.483
Base-Backbone interact. energy: -2.226
local terms energy: -367.890938
where:
bonds (distance) C4'-P energy: -55.472
bonds (distance) P-C4' energy: -69.788
flat angles C4'-P-C4' energy: -81.605
flat angles P-C4'-P energy: -49.076
tors. eta vs tors. theta energy: -111.950
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: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1097.739874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.739874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.739874 (E_RNA)
where:
Base-Base interactions energy: -745.642
where: short stacking energy: -304.114
Base-Backbone interact. energy: -2.903
local terms energy: -351.634036
where:
bonds (distance) C4'-P energy: -63.276
bonds (distance) P-C4' energy: -68.114
flat angles C4'-P-C4' energy: -74.030
flat angles P-C4'-P energy: -51.860
tors. eta vs tors. theta energy: -94.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.439 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1066.278826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.278826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.278826 (E_RNA)
where:
Base-Base interactions energy: -735.037
where: short stacking energy: -307.479
Base-Backbone interact. energy: -1.270
local terms energy: -329.970986
where:
bonds (distance) C4'-P energy: -61.692
bonds (distance) P-C4' energy: -66.078
flat angles C4'-P-C4' energy: -64.733
flat angles P-C4'-P energy: -44.392
tors. eta vs tors. theta energy: -93.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -956.363671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.363671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.363671 (E_RNA)
where:
Base-Base interactions energy: -658.179
where: short stacking energy: -247.357
Base-Backbone interact. energy: 0.689
local terms energy: -298.873461
where:
bonds (distance) C4'-P energy: -46.429
bonds (distance) P-C4' energy: -70.410
flat angles C4'-P-C4' energy: -66.874
flat angles P-C4'-P energy: -48.461
tors. eta vs tors. theta energy: -66.700
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: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -898.751394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.751394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.751394 (E_RNA)
where:
Base-Base interactions energy: -570.553
where: short stacking energy: -248.447
Base-Backbone interact. energy: -2.043
local terms energy: -326.155659
where:
bonds (distance) C4'-P energy: -50.022
bonds (distance) P-C4' energy: -73.967
flat angles C4'-P-C4' energy: -75.837
flat angles P-C4'-P energy: -48.263
tors. eta vs tors. theta energy: -78.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -769.442975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.442975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.442975 (E_RNA)
where:
Base-Base interactions energy: -506.745
where: short stacking energy: -231.291
Base-Backbone interact. energy: -2.425
local terms energy: -260.272828
where:
bonds (distance) C4'-P energy: -50.866
bonds (distance) P-C4' energy: -60.186
flat angles C4'-P-C4' energy: -67.307
flat angles P-C4'-P energy: -31.139
tors. eta vs tors. theta energy: -50.775
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: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -681.381871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.381871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.381871 (E_RNA)
where:
Base-Base interactions energy: -419.213
where: short stacking energy: -205.469
Base-Backbone interact. energy: -3.549
local terms energy: -258.620345
where:
bonds (distance) C4'-P energy: -51.538
bonds (distance) P-C4' energy: -54.033
flat angles C4'-P-C4' energy: -67.470
flat angles P-C4'-P energy: -43.917
tors. eta vs tors. theta energy: -41.662
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: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -549.224142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.224142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.224142 (E_RNA)
where:
Base-Base interactions energy: -310.692
where: short stacking energy: -150.987
Base-Backbone interact. energy: 0.997
local terms energy: -239.528802
where:
bonds (distance) C4'-P energy: -64.158
bonds (distance) P-C4' energy: -55.520
flat angles C4'-P-C4' energy: -44.218
flat angles P-C4'-P energy: -41.503
tors. eta vs tors. theta energy: -34.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -351.179624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.179624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.179624 (E_RNA)
where:
Base-Base interactions energy: -160.650
where: short stacking energy: -101.566
Base-Backbone interact. energy: 1.304
local terms energy: -191.833719
where:
bonds (distance) C4'-P energy: -58.059
bonds (distance) P-C4' energy: -56.757
flat angles C4'-P-C4' energy: -48.003
flat angles P-C4'-P energy: -33.346
tors. eta vs tors. theta energy: 4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -287.237141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.237141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.237141 (E_RNA)
where:
Base-Base interactions energy: -94.108
where: short stacking energy: -89.024
Base-Backbone interact. energy: -1.446
local terms energy: -191.682561
where:
bonds (distance) C4'-P energy: -46.992
bonds (distance) P-C4' energy: -62.206
flat angles C4'-P-C4' energy: -46.405
flat angles P-C4'-P energy: -30.818
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: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1188.198578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.198578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.198578 (E_RNA)
where:
Base-Base interactions energy: -807.226
where: short stacking energy: -330.126
Base-Backbone interact. energy: -1.169
local terms energy: -380.243774
where:
bonds (distance) C4'-P energy: -73.321
bonds (distance) P-C4' energy: -74.257
flat angles C4'-P-C4' energy: -74.944
flat angles P-C4'-P energy: -49.505
tors. eta vs tors. theta energy: -108.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.440 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1113.708933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.708933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.708933 (E_RNA)
where:
Base-Base interactions energy: -764.533
where: short stacking energy: -320.781
Base-Backbone interact. energy: -0.813
local terms energy: -348.363554
where:
bonds (distance) C4'-P energy: -66.063
bonds (distance) P-C4' energy: -62.313
flat angles C4'-P-C4' energy: -78.552
flat angles P-C4'-P energy: -43.234
tors. eta vs tors. theta energy: -98.201
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: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1034.712539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.712539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.712539 (E_RNA)
where:
Base-Base interactions energy: -712.867
where: short stacking energy: -309.345
Base-Backbone interact. energy: -0.264
local terms energy: -321.581763
where:
bonds (distance) C4'-P energy: -62.643
bonds (distance) P-C4' energy: -61.713
flat angles C4'-P-C4' energy: -62.322
flat angles P-C4'-P energy: -46.300
tors. eta vs tors. theta energy: -88.603
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: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1001.892600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.892600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.892600 (E_RNA)
where:
Base-Base interactions energy: -677.176
where: short stacking energy: -269.832
Base-Backbone interact. energy: 0.806
local terms energy: -325.522462
where:
bonds (distance) C4'-P energy: -60.220
bonds (distance) P-C4' energy: -69.267
flat angles C4'-P-C4' energy: -65.182
flat angles P-C4'-P energy: -40.817
tors. eta vs tors. theta energy: -90.036
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: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -880.928820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.928820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.928820 (E_RNA)
where:
Base-Base interactions energy: -590.105
where: short stacking energy: -254.508
Base-Backbone interact. energy: 0.310
local terms energy: -291.133681
where:
bonds (distance) C4'-P energy: -46.926
bonds (distance) P-C4' energy: -66.958
flat angles C4'-P-C4' energy: -64.541
flat angles P-C4'-P energy: -42.327
tors. eta vs tors. theta energy: -70.382
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: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -748.288941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.288941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.288941 (E_RNA)
where:
Base-Base interactions energy: -487.469
where: short stacking energy: -222.258
Base-Backbone interact. energy: 0.047
local terms energy: -260.866812
where:
bonds (distance) C4'-P energy: -59.415
bonds (distance) P-C4' energy: -48.051
flat angles C4'-P-C4' energy: -58.924
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: -53.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -685.037631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.037631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.037631 (E_RNA)
where:
Base-Base interactions energy: -417.927
where: short stacking energy: -180.007
Base-Backbone interact. energy: -1.976
local terms energy: -265.134481
where:
bonds (distance) C4'-P energy: -62.548
bonds (distance) P-C4' energy: -60.571
flat angles C4'-P-C4' energy: -56.768
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: -40.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -573.040569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.040569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.040569 (E_RNA)
where:
Base-Base interactions energy: -335.696
where: short stacking energy: -171.930
Base-Backbone interact. energy: 0.443
local terms energy: -237.787790
where:
bonds (distance) C4'-P energy: -59.036
bonds (distance) P-C4' energy: -53.347
flat angles C4'-P-C4' energy: -59.178
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: -30.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -409.819331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.819331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.819331 (E_RNA)
where:
Base-Base interactions energy: -194.813
where: short stacking energy: -118.736
Base-Backbone interact. energy: 0.253
local terms energy: -215.259304
where:
bonds (distance) C4'-P energy: -57.002
bonds (distance) P-C4' energy: -67.049
flat angles C4'-P-C4' energy: -50.852
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -308.322821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.322821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.322821 (E_RNA)
where:
Base-Base interactions energy: -107.604
where: short stacking energy: -84.687
Base-Backbone interact. energy: -1.730
local terms energy: -198.989549
where:
bonds (distance) C4'-P energy: -74.411
bonds (distance) P-C4' energy: -67.225
flat angles C4'-P-C4' energy: -45.086
flat angles P-C4'-P energy: -24.729
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: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1183.834340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.834340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.834340 (E_RNA)
where:
Base-Base interactions energy: -813.950
where: short stacking energy: -328.849
Base-Backbone interact. energy: 1.854
local terms energy: -372.634450
where:
bonds (distance) C4'-P energy: -74.214
bonds (distance) P-C4' energy: -63.947
flat angles C4'-P-C4' energy: -74.725
flat angles P-C4'-P energy: -47.176
tors. eta vs tors. theta energy: -112.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.897 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1093.678836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.678836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.678836 (E_RNA)
where:
Base-Base interactions energy: -754.207
where: short stacking energy: -328.911
Base-Backbone interact. energy: -0.333
local terms energy: -339.138115
where:
bonds (distance) C4'-P energy: -59.851
bonds (distance) P-C4' energy: -57.917
flat angles C4'-P-C4' energy: -73.494
flat angles P-C4'-P energy: -48.313
tors. eta vs tors. theta energy: -99.563
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: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1050.580058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.580058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.580058 (E_RNA)
where:
Base-Base interactions energy: -699.016
where: short stacking energy: -317.591
Base-Backbone interact. energy: -0.281
local terms energy: -351.282388
where:
bonds (distance) C4'-P energy: -63.590
bonds (distance) P-C4' energy: -70.666
flat angles C4'-P-C4' energy: -78.161
flat angles P-C4'-P energy: -49.952
tors. eta vs tors. theta energy: -88.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -951.438884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.438884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.438884 (E_RNA)
where:
Base-Base interactions energy: -645.580
where: short stacking energy: -261.765
Base-Backbone interact. energy: -1.703
local terms energy: -304.155734
where:
bonds (distance) C4'-P energy: -59.073
bonds (distance) P-C4' energy: -51.353
flat angles C4'-P-C4' energy: -68.362
flat angles P-C4'-P energy: -47.269
tors. eta vs tors. theta energy: -78.098
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: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -892.132139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.132139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.132139 (E_RNA)
where:
Base-Base interactions energy: -598.495
where: short stacking energy: -236.790
Base-Backbone interact. energy: -2.065
local terms energy: -291.571900
where:
bonds (distance) C4'-P energy: -59.740
bonds (distance) P-C4' energy: -64.244
flat angles C4'-P-C4' energy: -63.250
flat angles P-C4'-P energy: -41.084
tors. eta vs tors. theta energy: -63.253
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: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -724.895840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.895840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.895840 (E_RNA)
where:
Base-Base interactions energy: -447.292
where: short stacking energy: -199.453
Base-Backbone interact. energy: -0.495
local terms energy: -277.109593
where:
bonds (distance) C4'-P energy: -69.681
bonds (distance) P-C4' energy: -63.193
flat angles C4'-P-C4' energy: -55.336
flat angles P-C4'-P energy: -38.148
tors. eta vs tors. theta energy: -50.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -616.681553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.681553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.681553 (E_RNA)
where:
Base-Base interactions energy: -379.150
where: short stacking energy: -190.397
Base-Backbone interact. energy: -0.862
local terms energy: -236.669944
where:
bonds (distance) C4'-P energy: -54.178
bonds (distance) P-C4' energy: -61.133
flat angles C4'-P-C4' energy: -64.578
flat angles P-C4'-P energy: -25.047
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: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -591.267188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.267188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.267188 (E_RNA)
where:
Base-Base interactions energy: -365.469
where: short stacking energy: -166.759
Base-Backbone interact. energy: 1.577
local terms energy: -227.720930
where:
bonds (distance) C4'-P energy: -55.454
bonds (distance) P-C4' energy: -58.828
flat angles C4'-P-C4' energy: -54.906
flat angles P-C4'-P energy: -28.070
tors. eta vs tors. theta energy: -30.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.346 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -356.456138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.456138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.456138 (E_RNA)
where:
Base-Base interactions energy: -164.018
where: short stacking energy: -82.885
Base-Backbone interact. energy: 2.927
local terms energy: -195.365882
where:
bonds (distance) C4'-P energy: -59.866
bonds (distance) P-C4' energy: -59.901
flat angles C4'-P-C4' energy: -46.310
flat angles P-C4'-P energy: -41.028
tors. eta vs tors. theta energy: 11.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -397.534021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.534021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.534021 (E_RNA)
where:
Base-Base interactions energy: -201.032
where: short stacking energy: -94.298
Base-Backbone interact. energy: 0.572
local terms energy: -197.073323
where:
bonds (distance) C4'-P energy: -49.354
bonds (distance) P-C4' energy: -62.572
flat angles C4'-P-C4' energy: -44.830
flat angles P-C4'-P energy: -43.271
tors. eta vs tors. theta energy: 2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1169.897783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.897783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.897783 (E_RNA)
where:
Base-Base interactions energy: -809.120
where: short stacking energy: -307.214
Base-Backbone interact. energy: 0.575
local terms energy: -361.352355
where:
bonds (distance) C4'-P energy: -73.498
bonds (distance) P-C4' energy: -74.308
flat angles C4'-P-C4' energy: -62.571
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -102.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1096.322508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.322508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.322508 (E_RNA)
where:
Base-Base interactions energy: -723.886
where: short stacking energy: -310.196
Base-Backbone interact. energy: -2.357
local terms energy: -370.079410
where:
bonds (distance) C4'-P energy: -66.558
bonds (distance) P-C4' energy: -72.279
flat angles C4'-P-C4' energy: -79.292
flat angles P-C4'-P energy: -52.653
tors. eta vs tors. theta energy: -99.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1041.990990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.990990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.990990 (E_RNA)
where:
Base-Base interactions energy: -705.200
where: short stacking energy: -284.498
Base-Backbone interact. energy: -2.432
local terms energy: -334.358943
where:
bonds (distance) C4'-P energy: -57.611
bonds (distance) P-C4' energy: -71.539
flat angles C4'-P-C4' energy: -71.026
flat angles P-C4'-P energy: -51.444
tors. eta vs tors. theta energy: -82.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -941.042863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.042863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.042863 (E_RNA)
where:
Base-Base interactions energy: -622.645
where: short stacking energy: -252.860
Base-Backbone interact. energy: -1.238
local terms energy: -317.160180
where:
bonds (distance) C4'-P energy: -65.986
bonds (distance) P-C4' energy: -63.800
flat angles C4'-P-C4' energy: -65.192
flat angles P-C4'-P energy: -49.775
tors. eta vs tors. theta energy: -72.408
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: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -932.801719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.801719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.801719 (E_RNA)
where:
Base-Base interactions energy: -634.264
where: short stacking energy: -261.923
Base-Backbone interact. energy: -2.707
local terms energy: -295.831103
where:
bonds (distance) C4'-P energy: -63.011
bonds (distance) P-C4' energy: -54.412
flat angles C4'-P-C4' energy: -63.842
flat angles P-C4'-P energy: -33.289
tors. eta vs tors. theta energy: -81.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -749.979433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.979433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.979433 (E_RNA)
where:
Base-Base interactions energy: -479.617
where: short stacking energy: -208.888
Base-Backbone interact. energy: -1.365
local terms energy: -268.997302
where:
bonds (distance) C4'-P energy: -55.810
bonds (distance) P-C4' energy: -58.728
flat angles C4'-P-C4' energy: -58.093
flat angles P-C4'-P energy: -41.050
tors. eta vs tors. theta energy: -55.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -599.127744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.127744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.127744 (E_RNA)
where:
Base-Base interactions energy: -355.252
where: short stacking energy: -163.104
Base-Backbone interact. energy: -2.958
local terms energy: -240.917358
where:
bonds (distance) C4'-P energy: -66.821
bonds (distance) P-C4' energy: -53.480
flat angles C4'-P-C4' energy: -47.572
flat angles P-C4'-P energy: -38.628
tors. eta vs tors. theta energy: -34.416
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: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -640.711659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.711659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.711659 (E_RNA)
where:
Base-Base interactions energy: -413.411
where: short stacking energy: -192.050
Base-Backbone interact. energy: -1.223
local terms energy: -226.077080
where:
bonds (distance) C4'-P energy: -50.361
bonds (distance) P-C4' energy: -49.028
flat angles C4'-P-C4' energy: -48.101
flat angles P-C4'-P energy: -35.346
tors. eta vs tors. theta energy: -43.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -358.022394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.022394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.022394 (E_RNA)
where:
Base-Base interactions energy: -185.603
where: short stacking energy: -88.701
Base-Backbone interact. energy: -3.472
local terms energy: -168.947560
where:
bonds (distance) C4'-P energy: -47.944
bonds (distance) P-C4' energy: -53.544
flat angles C4'-P-C4' energy: -45.864
flat angles P-C4'-P energy: -19.893
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: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -356.083391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.083391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.083391 (E_RNA)
where:
Base-Base interactions energy: -166.975
where: short stacking energy: -87.240
Base-Backbone interact. energy: 5.482
local terms energy: -194.590704
where:
bonds (distance) C4'-P energy: -54.365
bonds (distance) P-C4' energy: -65.217
flat angles C4'-P-C4' energy: -44.113
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: 4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1159.261319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.261319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.261319 (E_RNA)
where:
Base-Base interactions energy: -793.228
where: short stacking energy: -318.140
Base-Backbone interact. energy: 0.014
local terms energy: -366.047563
where:
bonds (distance) C4'-P energy: -69.611
bonds (distance) P-C4' energy: -65.540
flat angles C4'-P-C4' energy: -69.341
flat angles P-C4'-P energy: -51.793
tors. eta vs tors. theta energy: -109.763
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: 428
Temperature: 0.950000
Total energy: -1115.613906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.613906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.613906 (E_RNA)
where:
Base-Base interactions energy: -754.484
where: short stacking energy: -320.857
Base-Backbone interact. energy: -1.628
local terms energy: -359.502047
where:
bonds (distance) C4'-P energy: -56.352
bonds (distance) P-C4' energy: -75.093
flat angles C4'-P-C4' energy: -77.243
flat angles P-C4'-P energy: -51.548
tors. eta vs tors. theta energy: -99.266
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: 428
Temperature: 1.000000
Total energy: -1043.895437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.895437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.895437 (E_RNA)
where:
Base-Base interactions energy: -716.053
where: short stacking energy: -292.313
Base-Backbone interact. energy: 0.414
local terms energy: -328.256666
where:
bonds (distance) C4'-P energy: -60.866
bonds (distance) P-C4' energy: -60.668
flat angles C4'-P-C4' energy: -72.504
flat angles P-C4'-P energy: -42.998
tors. eta vs tors. theta energy: -91.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -991.327551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.327551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.327551 (E_RNA)
where:
Base-Base interactions energy: -679.768
where: short stacking energy: -287.345
Base-Backbone interact. energy: 0.342
local terms energy: -311.901372
where:
bonds (distance) C4'-P energy: -51.925
bonds (distance) P-C4' energy: -57.487
flat angles C4'-P-C4' energy: -70.820
flat angles P-C4'-P energy: -48.245
tors. eta vs tors. theta energy: -83.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -931.142903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.142903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.142903 (E_RNA)
where:
Base-Base interactions energy: -645.837
where: short stacking energy: -278.816
Base-Backbone interact. energy: -1.616
local terms energy: -283.688996
where:
bonds (distance) C4'-P energy: -47.474
bonds (distance) P-C4' energy: -56.871
flat angles C4'-P-C4' energy: -59.296
flat angles P-C4'-P energy: -38.185
tors. eta vs tors. theta energy: -81.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -768.197977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.197977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.197977 (E_RNA)
where:
Base-Base interactions energy: -486.243
where: short stacking energy: -218.876
Base-Backbone interact. energy: -1.206
local terms energy: -280.749159
where:
bonds (distance) C4'-P energy: -63.331
bonds (distance) P-C4' energy: -58.064
flat angles C4'-P-C4' energy: -55.031
flat angles P-C4'-P energy: -42.755
tors. eta vs tors. theta energy: -61.567
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: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -670.856979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.856979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.856979 (E_RNA)
where:
Base-Base interactions energy: -415.488
where: short stacking energy: -191.496
Base-Backbone interact. energy: -0.824
local terms energy: -254.544205
where:
bonds (distance) C4'-P energy: -59.573
bonds (distance) P-C4' energy: -58.531
flat angles C4'-P-C4' energy: -54.588
flat angles P-C4'-P energy: -33.001
tors. eta vs tors. theta energy: -48.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -548.141309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.141309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.141309 (E_RNA)
where:
Base-Base interactions energy: -341.928
where: short stacking energy: -137.825
Base-Backbone interact. energy: 0.017
local terms energy: -206.230649
where:
bonds (distance) C4'-P energy: -49.933
bonds (distance) P-C4' energy: -63.225
flat angles C4'-P-C4' energy: -58.029
flat angles P-C4'-P energy: -27.580
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -341.981963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.981963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.981963 (E_RNA)
where:
Base-Base interactions energy: -151.259
where: short stacking energy: -95.021
Base-Backbone interact. energy: -0.023
local terms energy: -190.699846
where:
bonds (distance) C4'-P energy: -61.496
bonds (distance) P-C4' energy: -59.389
flat angles C4'-P-C4' energy: -47.182
flat angles P-C4'-P energy: -21.853
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: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -327.483860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.483860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.483860 (E_RNA)
where:
Base-Base interactions energy: -142.125
where: short stacking energy: -85.857
Base-Backbone interact. energy: 3.080
local terms energy: -188.439318
where:
bonds (distance) C4'-P energy: -63.838
bonds (distance) P-C4' energy: -55.158
flat angles C4'-P-C4' energy: -46.115
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: 0.523
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: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1168.701069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.701069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.701069 (E_RNA)
where:
Base-Base interactions energy: -815.764
where: short stacking energy: -308.238
Base-Backbone interact. energy: -0.627
local terms energy: -352.309737
where:
bonds (distance) C4'-P energy: -63.829
bonds (distance) P-C4' energy: -59.481
flat angles C4'-P-C4' energy: -78.774
flat angles P-C4'-P energy: -52.472
tors. eta vs tors. theta energy: -97.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1069.925242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.925242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.925242 (E_RNA)
where:
Base-Base interactions energy: -703.192
where: short stacking energy: -298.963
Base-Backbone interact. energy: -2.078
local terms energy: -364.655932
where:
bonds (distance) C4'-P energy: -68.778
bonds (distance) P-C4' energy: -68.569
flat angles C4'-P-C4' energy: -72.065
flat angles P-C4'-P energy: -57.346
tors. eta vs tors. theta energy: -97.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1072.305549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.305549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.305549 (E_RNA)
where:
Base-Base interactions energy: -730.368
where: short stacking energy: -289.660
Base-Backbone interact. energy: -1.428
local terms energy: -340.509867
where:
bonds (distance) C4'-P energy: -58.642
bonds (distance) P-C4' energy: -71.676
flat angles C4'-P-C4' energy: -74.179
flat angles P-C4'-P energy: -43.591
tors. eta vs tors. theta energy: -92.422
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: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1016.398528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.398528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.398528 (E_RNA)
where:
Base-Base interactions energy: -681.825
where: short stacking energy: -282.428
Base-Backbone interact. energy: -0.339
local terms energy: -334.234697
where:
bonds (distance) C4'-P energy: -56.764
bonds (distance) P-C4' energy: -63.694
flat angles C4'-P-C4' energy: -73.612
flat angles P-C4'-P energy: -54.963
tors. eta vs tors. theta energy: -85.201
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: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -882.773581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.773581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.773581 (E_RNA)
where:
Base-Base interactions energy: -579.152
where: short stacking energy: -231.203
Base-Backbone interact. energy: -1.352
local terms energy: -302.270444
where:
bonds (distance) C4'-P energy: -69.089
bonds (distance) P-C4' energy: -57.275
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -52.164
tors. eta vs tors. theta energy: -65.835
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: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -670.254010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.254010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.254010 (E_RNA)
where:
Base-Base interactions energy: -404.046
where: short stacking energy: -193.437
Base-Backbone interact. energy: -0.705
local terms energy: -265.502601
where:
bonds (distance) C4'-P energy: -62.620
bonds (distance) P-C4' energy: -63.924
flat angles C4'-P-C4' energy: -53.514
flat angles P-C4'-P energy: -45.843
tors. eta vs tors. theta energy: -39.602
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: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -726.711648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.711648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.711648 (E_RNA)
where:
Base-Base interactions energy: -460.307
where: short stacking energy: -200.887
Base-Backbone interact. energy: -1.273
local terms energy: -265.131736
where:
bonds (distance) C4'-P energy: -54.791
bonds (distance) P-C4' energy: -52.337
flat angles C4'-P-C4' energy: -68.727
flat angles P-C4'-P energy: -42.183
tors. eta vs tors. theta energy: -47.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -529.224567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.224567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.224567 (E_RNA)
where:
Base-Base interactions energy: -294.865
where: short stacking energy: -142.547
Base-Backbone interact. energy: 1.930
local terms energy: -236.289585
where:
bonds (distance) C4'-P energy: -62.113
bonds (distance) P-C4' energy: -59.312
flat angles C4'-P-C4' energy: -46.250
flat angles P-C4'-P energy: -27.891
tors. eta vs tors. theta energy: -40.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -375.125363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.125363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.125363 (E_RNA)
where:
Base-Base interactions energy: -174.065
where: short stacking energy: -112.058
Base-Backbone interact. energy: -0.034
local terms energy: -201.026874
where:
bonds (distance) C4'-P energy: -58.106
bonds (distance) P-C4' energy: -51.163
flat angles C4'-P-C4' energy: -58.676
flat angles P-C4'-P energy: -28.199
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: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -341.065013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.065013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.065013 (E_RNA)
where:
Base-Base interactions energy: -154.941
where: short stacking energy: -82.412
Base-Backbone interact. energy: -0.434
local terms energy: -185.689671
where:
bonds (distance) C4'-P energy: -46.316
bonds (distance) P-C4' energy: -60.770
flat angles C4'-P-C4' energy: -50.330
flat angles P-C4'-P energy: -30.261
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1179.246529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.246529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.246529 (E_RNA)
where:
Base-Base interactions energy: -819.062
where: short stacking energy: -322.567
Base-Backbone interact. energy: -0.148
local terms energy: -360.382785
where:
bonds (distance) C4'-P energy: -68.420
bonds (distance) P-C4' energy: -50.703
flat angles C4'-P-C4' energy: -80.877
flat angles P-C4'-P energy: -55.491
tors. eta vs tors. theta energy: -104.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.347 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1061.359873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.359873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.359873 (E_RNA)
where:
Base-Base interactions energy: -729.462
where: short stacking energy: -307.937
Base-Backbone interact. energy: -1.236
local terms energy: -330.661634
where:
bonds (distance) C4'-P energy: -65.277
bonds (distance) P-C4' energy: -63.292
flat angles C4'-P-C4' energy: -70.227
flat angles P-C4'-P energy: -46.050
tors. eta vs tors. theta energy: -85.815
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: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1051.989266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.989266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.989266 (E_RNA)
where:
Base-Base interactions energy: -723.020
where: short stacking energy: -285.169
Base-Backbone interact. energy: -1.657
local terms energy: -327.312352
where:
bonds (distance) C4'-P energy: -47.875
bonds (distance) P-C4' energy: -65.755
flat angles C4'-P-C4' energy: -73.201
flat angles P-C4'-P energy: -42.823
tors. eta vs tors. theta energy: -97.658
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: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -944.705324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.705324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.705324 (E_RNA)
where:
Base-Base interactions energy: -614.189
where: short stacking energy: -256.056
Base-Backbone interact. energy: -1.447
local terms energy: -329.069451
where:
bonds (distance) C4'-P energy: -55.703
bonds (distance) P-C4' energy: -68.404
flat angles C4'-P-C4' energy: -72.632
flat angles P-C4'-P energy: -51.762
tors. eta vs tors. theta energy: -80.568
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: 430
Temperature: 1.100000
Total energy: -860.454675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.454675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.454675 (E_RNA)
where:
Base-Base interactions energy: -558.740
where: short stacking energy: -232.615
Base-Backbone interact. energy: -0.788
local terms energy: -300.926598
where:
bonds (distance) C4'-P energy: -57.233
bonds (distance) P-C4' energy: -63.817
flat angles C4'-P-C4' energy: -73.991
flat angles P-C4'-P energy: -39.585
tors. eta vs tors. theta energy: -66.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -695.508469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.508469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.508469 (E_RNA)
where:
Base-Base interactions energy: -409.982
where: short stacking energy: -183.065
Base-Backbone interact. energy: 0.222
local terms energy: -285.748646
where:
bonds (distance) C4'-P energy: -56.252
bonds (distance) P-C4' energy: -64.094
flat angles C4'-P-C4' energy: -64.991
flat angles P-C4'-P energy: -55.570
tors. eta vs tors. theta energy: -44.841
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: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -669.314007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.314007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.314007 (E_RNA)
where:
Base-Base interactions energy: -420.924
where: short stacking energy: -172.252
Base-Backbone interact. energy: -0.956
local terms energy: -247.433513
where:
bonds (distance) C4'-P energy: -57.164
bonds (distance) P-C4' energy: -58.581
flat angles C4'-P-C4' energy: -63.291
flat angles P-C4'-P energy: -40.460
tors. eta vs tors. theta energy: -27.937
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: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -552.147525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.147525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.147525 (E_RNA)
where:
Base-Base interactions energy: -328.033
where: short stacking energy: -154.005
Base-Backbone interact. energy: 1.360
local terms energy: -225.474616
where:
bonds (distance) C4'-P energy: -59.360
bonds (distance) P-C4' energy: -67.124
flat angles C4'-P-C4' energy: -51.043
flat angles P-C4'-P energy: -26.801
tors. eta vs tors. theta energy: -21.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -363.358814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.358814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.358814 (E_RNA)
where:
Base-Base interactions energy: -153.622
where: short stacking energy: -78.098
Base-Backbone interact. energy: 2.307
local terms energy: -212.044031
where:
bonds (distance) C4'-P energy: -53.321
bonds (distance) P-C4' energy: -69.905
flat angles C4'-P-C4' energy: -58.726
flat angles P-C4'-P energy: -30.104
tors. eta vs tors. theta energy: 0.011
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: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -326.340499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.340499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.340499 (E_RNA)
where:
Base-Base interactions energy: -146.678
where: short stacking energy: -88.435
Base-Backbone interact. energy: -0.929
local terms energy: -178.733059
where:
bonds (distance) C4'-P energy: -53.147
bonds (distance) P-C4' energy: -48.093
flat angles C4'-P-C4' energy: -53.204
flat angles P-C4'-P energy: -28.288
tors. eta vs tors. theta energy: 3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1178.074754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.074754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.074754 (E_RNA)
where:
Base-Base interactions energy: -817.965
where: short stacking energy: -327.444
Base-Backbone interact. energy: 1.790
local terms energy: -361.899963
where:
bonds (distance) C4'-P energy: -68.377
bonds (distance) P-C4' energy: -68.329
flat angles C4'-P-C4' energy: -73.990
flat angles P-C4'-P energy: -48.909
tors. eta vs tors. theta energy: -102.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1081.759457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.759457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.759457 (E_RNA)
where:
Base-Base interactions energy: -738.791
where: short stacking energy: -308.312
Base-Backbone interact. energy: -1.289
local terms energy: -341.679911
where:
bonds (distance) C4'-P energy: -70.934
bonds (distance) P-C4' energy: -53.717
flat angles C4'-P-C4' energy: -73.297
flat angles P-C4'-P energy: -49.954
tors. eta vs tors. theta energy: -93.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1049.794269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.794269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.794269 (E_RNA)
where:
Base-Base interactions energy: -695.888
where: short stacking energy: -293.287
Base-Backbone interact. energy: 1.070
local terms energy: -354.975580
where:
bonds (distance) C4'-P energy: -63.483
bonds (distance) P-C4' energy: -65.750
flat angles C4'-P-C4' energy: -69.195
flat angles P-C4'-P energy: -52.048
tors. eta vs tors. theta energy: -104.498
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: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -965.029067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.029067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.029067 (E_RNA)
where:
Base-Base interactions energy: -642.400
where: short stacking energy: -254.752
Base-Backbone interact. energy: -0.678
local terms energy: -321.950674
where:
bonds (distance) C4'-P energy: -79.153
bonds (distance) P-C4' energy: -60.172
flat angles C4'-P-C4' energy: -70.035
flat angles P-C4'-P energy: -45.874
tors. eta vs tors. theta energy: -66.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -913.698887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.698887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.698887 (E_RNA)
where:
Base-Base interactions energy: -622.165
where: short stacking energy: -255.542
Base-Backbone interact. energy: -0.698
local terms energy: -290.836745
where:
bonds (distance) C4'-P energy: -61.838
bonds (distance) P-C4' energy: -53.105
flat angles C4'-P-C4' energy: -63.678
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -70.989
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: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -732.821046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.821046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.821046 (E_RNA)
where:
Base-Base interactions energy: -457.511
where: short stacking energy: -215.149
Base-Backbone interact. energy: -0.231
local terms energy: -275.079432
where:
bonds (distance) C4'-P energy: -60.013
bonds (distance) P-C4' energy: -61.166
flat angles C4'-P-C4' energy: -67.066
flat angles P-C4'-P energy: -36.048
tors. eta vs tors. theta energy: -50.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -657.879283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.879283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.879283 (E_RNA)
where:
Base-Base interactions energy: -390.293
where: short stacking energy: -195.296
Base-Backbone interact. energy: -1.070
local terms energy: -266.516384
where:
bonds (distance) C4'-P energy: -65.855
bonds (distance) P-C4' energy: -57.243
flat angles C4'-P-C4' energy: -51.012
flat angles P-C4'-P energy: -49.206
tors. eta vs tors. theta energy: -43.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -490.290592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.290592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.290592 (E_RNA)
where:
Base-Base interactions energy: -277.030
where: short stacking energy: -138.502
Base-Backbone interact. energy: -0.217
local terms energy: -213.043837
where:
bonds (distance) C4'-P energy: -52.754
bonds (distance) P-C4' energy: -55.264
flat angles C4'-P-C4' energy: -50.087
flat angles P-C4'-P energy: -42.888
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -417.341161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.341161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.341161 (E_RNA)
where:
Base-Base interactions energy: -217.783
where: short stacking energy: -115.169
Base-Backbone interact. energy: 0.023
local terms energy: -199.580611
where:
bonds (distance) C4'-P energy: -60.748
bonds (distance) P-C4' energy: -60.638
flat angles C4'-P-C4' energy: -43.897
flat angles P-C4'-P energy: -25.199
tors. eta vs tors. theta energy: -9.099
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: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -327.779102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.779102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.779102 (E_RNA)
where:
Base-Base interactions energy: -170.180
where: short stacking energy: -90.533
Base-Backbone interact. energy: -0.690
local terms energy: -156.908702
where:
bonds (distance) C4'-P energy: -46.748
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -46.449
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: 8.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1159.864890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.864890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.864890 (E_RNA)
where:
Base-Base interactions energy: -786.822
where: short stacking energy: -321.510
Base-Backbone interact. energy: -0.941
local terms energy: -372.101703
where:
bonds (distance) C4'-P energy: -67.826
bonds (distance) P-C4' energy: -69.496
flat angles C4'-P-C4' energy: -75.286
flat angles P-C4'-P energy: -56.942
tors. eta vs tors. theta energy: -102.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1056.976039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.976039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.976039 (E_RNA)
where:
Base-Base interactions energy: -704.596
where: short stacking energy: -295.332
Base-Backbone interact. energy: -0.651
local terms energy: -351.728166
where:
bonds (distance) C4'-P energy: -56.731
bonds (distance) P-C4' energy: -63.159
flat angles C4'-P-C4' energy: -73.280
flat angles P-C4'-P energy: -56.438
tors. eta vs tors. theta energy: -102.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1072.219984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.219984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.219984 (E_RNA)
where:
Base-Base interactions energy: -738.734
where: short stacking energy: -288.050
Base-Backbone interact. energy: 6.343
local terms energy: -339.828362
where:
bonds (distance) C4'-P energy: -62.148
bonds (distance) P-C4' energy: -61.404
flat angles C4'-P-C4' energy: -65.843
flat angles P-C4'-P energy: -53.024
tors. eta vs tors. theta energy: -97.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -962.741765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.741765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.741765 (E_RNA)
where:
Base-Base interactions energy: -653.577
where: short stacking energy: -261.008
Base-Backbone interact. energy: -0.566
local terms energy: -308.598565
where:
bonds (distance) C4'-P energy: -66.444
bonds (distance) P-C4' energy: -54.773
flat angles C4'-P-C4' energy: -64.257
flat angles P-C4'-P energy: -47.854
tors. eta vs tors. theta energy: -75.271
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: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -904.157296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.157296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.157296 (E_RNA)
where:
Base-Base interactions energy: -612.775
where: short stacking energy: -248.816
Base-Backbone interact. energy: -0.245
local terms energy: -291.136928
where:
bonds (distance) C4'-P energy: -63.477
bonds (distance) P-C4' energy: -61.662
flat angles C4'-P-C4' energy: -48.893
flat angles P-C4'-P energy: -39.282
tors. eta vs tors. theta energy: -77.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -717.223102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.223102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.223102 (E_RNA)
where:
Base-Base interactions energy: -444.217
where: short stacking energy: -203.902
Base-Backbone interact. energy: 0.032
local terms energy: -273.037885
where:
bonds (distance) C4'-P energy: -58.969
bonds (distance) P-C4' energy: -59.322
flat angles C4'-P-C4' energy: -65.644
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -48.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -668.539243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.539243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.539243 (E_RNA)
where:
Base-Base interactions energy: -422.634
where: short stacking energy: -178.461
Base-Backbone interact. energy: -1.063
local terms energy: -244.842389
where:
bonds (distance) C4'-P energy: -56.282
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -41.761
tors. eta vs tors. theta energy: -39.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -505.249682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.249682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.249682 (E_RNA)
where:
Base-Base interactions energy: -277.787
where: short stacking energy: -120.036
Base-Backbone interact. energy: -1.945
local terms energy: -225.517109
where:
bonds (distance) C4'-P energy: -64.604
bonds (distance) P-C4' energy: -61.397
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -40.857
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -390.878594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.878594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.878594 (E_RNA)
where:
Base-Base interactions energy: -191.749
where: short stacking energy: -109.874
Base-Backbone interact. energy: 2.455
local terms energy: -201.585084
where:
bonds (distance) C4'-P energy: -56.221
bonds (distance) P-C4' energy: -52.638
flat angles C4'-P-C4' energy: -52.223
flat angles P-C4'-P energy: -33.067
tors. eta vs tors. theta energy: -7.436
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: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -364.024232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.024232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.024232 (E_RNA)
where:
Base-Base interactions energy: -161.115
where: short stacking energy: -78.576
Base-Backbone interact. energy: -0.253
local terms energy: -202.656714
where:
bonds (distance) C4'-P energy: -55.659
bonds (distance) P-C4' energy: -67.329
flat angles C4'-P-C4' energy: -54.699
flat angles P-C4'-P energy: -30.472
tors. eta vs tors. theta energy: 5.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1161.671412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.671412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.671412 (E_RNA)
where:
Base-Base interactions energy: -806.525
where: short stacking energy: -332.080
Base-Backbone interact. energy: -1.143
local terms energy: -354.003237
where:
bonds (distance) C4'-P energy: -63.664
bonds (distance) P-C4' energy: -64.069
flat angles C4'-P-C4' energy: -71.367
flat angles P-C4'-P energy: -51.987
tors. eta vs tors. theta energy: -102.916
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: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1105.264280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.264280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.264280 (E_RNA)
where:
Base-Base interactions energy: -763.965
where: short stacking energy: -319.324
Base-Backbone interact. energy: 0.717
local terms energy: -342.016409
where:
bonds (distance) C4'-P energy: -48.221
bonds (distance) P-C4' energy: -65.479
flat angles C4'-P-C4' energy: -74.613
flat angles P-C4'-P energy: -47.344
tors. eta vs tors. theta energy: -106.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1028.364992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.364992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.364992 (E_RNA)
where:
Base-Base interactions energy: -710.206
where: short stacking energy: -299.516
Base-Backbone interact. energy: -1.081
local terms energy: -317.078873
where:
bonds (distance) C4'-P energy: -58.868
bonds (distance) P-C4' energy: -57.259
flat angles C4'-P-C4' energy: -69.101
flat angles P-C4'-P energy: -39.522
tors. eta vs tors. theta energy: -92.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -926.411006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.411006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.411006 (E_RNA)
where:
Base-Base interactions energy: -612.596
where: short stacking energy: -271.946
Base-Backbone interact. energy: 0.465
local terms energy: -314.279937
where:
bonds (distance) C4'-P energy: -63.537
bonds (distance) P-C4' energy: -55.526
flat angles C4'-P-C4' energy: -67.824
flat angles P-C4'-P energy: -47.079
tors. eta vs tors. theta energy: -80.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -950.820579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.820579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.820579 (E_RNA)
where:
Base-Base interactions energy: -642.237
where: short stacking energy: -269.013
Base-Backbone interact. energy: -0.683
local terms energy: -307.900117
where:
bonds (distance) C4'-P energy: -63.205
bonds (distance) P-C4' energy: -60.045
flat angles C4'-P-C4' energy: -57.927
flat angles P-C4'-P energy: -49.113
tors. eta vs tors. theta energy: -77.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -688.860359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.860359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.860359 (E_RNA)
where:
Base-Base interactions energy: -434.332
where: short stacking energy: -209.121
Base-Backbone interact. energy: -1.544
local terms energy: -252.984209
where:
bonds (distance) C4'-P energy: -53.000
bonds (distance) P-C4' energy: -66.060
flat angles C4'-P-C4' energy: -54.792
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -38.931
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: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -655.010296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.010296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.010296 (E_RNA)
where:
Base-Base interactions energy: -422.717
where: short stacking energy: -199.102
Base-Backbone interact. energy: -2.108
local terms energy: -230.185060
where:
bonds (distance) C4'-P energy: -42.282
bonds (distance) P-C4' energy: -56.033
flat angles C4'-P-C4' energy: -47.277
flat angles P-C4'-P energy: -41.731
tors. eta vs tors. theta energy: -42.861
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: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -520.225645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.225645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.225645 (E_RNA)
where:
Base-Base interactions energy: -284.655
where: short stacking energy: -148.511
Base-Backbone interact. energy: -1.104
local terms energy: -235.562902
where:
bonds (distance) C4'-P energy: -58.130
bonds (distance) P-C4' energy: -59.131
flat angles C4'-P-C4' energy: -55.517
flat angles P-C4'-P energy: -29.336
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: 1.096 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -331.620849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.620849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.620849 (E_RNA)
where:
Base-Base interactions energy: -151.141
where: short stacking energy: -93.888
Base-Backbone interact. energy: -1.513
local terms energy: -180.826260
where:
bonds (distance) C4'-P energy: -64.267
bonds (distance) P-C4' energy: -42.698
flat angles C4'-P-C4' energy: -51.725
flat angles P-C4'-P energy: -28.540
tors. eta vs tors. theta energy: 6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.859 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -374.151030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.151030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.151030 (E_RNA)
where:
Base-Base interactions energy: -183.267
where: short stacking energy: -107.602
Base-Backbone interact. energy: 4.680
local terms energy: -195.563604
where:
bonds (distance) C4'-P energy: -52.946
bonds (distance) P-C4' energy: -67.882
flat angles C4'-P-C4' energy: -46.098
flat angles P-C4'-P energy: -26.985
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: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1166.542256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.542256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.542256 (E_RNA)
where:
Base-Base interactions energy: -788.091
where: short stacking energy: -319.110
Base-Backbone interact. energy: -1.262
local terms energy: -377.189627
where:
bonds (distance) C4'-P energy: -73.652
bonds (distance) P-C4' energy: -74.042
flat angles C4'-P-C4' energy: -73.417
flat angles P-C4'-P energy: -55.743
tors. eta vs tors. theta energy: -100.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1112.517537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.517537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.517537 (E_RNA)
where:
Base-Base interactions energy: -763.803
where: short stacking energy: -315.990
Base-Backbone interact. energy: 1.134
local terms energy: -349.849384
where:
bonds (distance) C4'-P energy: -62.120
bonds (distance) P-C4' energy: -68.356
flat angles C4'-P-C4' energy: -71.963
flat angles P-C4'-P energy: -39.272
tors. eta vs tors. theta energy: -108.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1038.694043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.694043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.694043 (E_RNA)
where:
Base-Base interactions energy: -714.231
where: short stacking energy: -298.490
Base-Backbone interact. energy: -1.515
local terms energy: -322.948594
where:
bonds (distance) C4'-P energy: -55.895
bonds (distance) P-C4' energy: -57.175
flat angles C4'-P-C4' energy: -70.318
flat angles P-C4'-P energy: -42.909
tors. eta vs tors. theta energy: -96.651
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: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -925.772643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.772643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.772643 (E_RNA)
where:
Base-Base interactions energy: -608.128
where: short stacking energy: -259.947
Base-Backbone interact. energy: -2.423
local terms energy: -315.221848
where:
bonds (distance) C4'-P energy: -66.679
bonds (distance) P-C4' energy: -66.164
flat angles C4'-P-C4' energy: -65.324
flat angles P-C4'-P energy: -39.473
tors. eta vs tors. theta energy: -77.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -936.634541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.634541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.634541 (E_RNA)
where:
Base-Base interactions energy: -637.762
where: short stacking energy: -267.729
Base-Backbone interact. energy: 1.026
local terms energy: -299.898593
where:
bonds (distance) C4'-P energy: -54.077
bonds (distance) P-C4' energy: -60.392
flat angles C4'-P-C4' energy: -66.896
flat angles P-C4'-P energy: -39.529
tors. eta vs tors. theta energy: -79.005
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: 434
Temperature: 1.150000
Total energy: -701.873870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.873870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.873870 (E_RNA)
where:
Base-Base interactions energy: -430.404
where: short stacking energy: -202.200
Base-Backbone interact. energy: -0.609
local terms energy: -270.860580
where:
bonds (distance) C4'-P energy: -60.034
bonds (distance) P-C4' energy: -62.418
flat angles C4'-P-C4' energy: -61.162
flat angles P-C4'-P energy: -44.972
tors. eta vs tors. theta energy: -42.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -669.473820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.473820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.473820 (E_RNA)
where:
Base-Base interactions energy: -417.220
where: short stacking energy: -186.612
Base-Backbone interact. energy: 2.364
local terms energy: -254.617487
where:
bonds (distance) C4'-P energy: -54.493
bonds (distance) P-C4' energy: -63.786
flat angles C4'-P-C4' energy: -54.899
flat angles P-C4'-P energy: -37.536
tors. eta vs tors. theta energy: -43.903
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: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -518.925111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.925111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.925111 (E_RNA)
where:
Base-Base interactions energy: -280.864
where: short stacking energy: -126.985
Base-Backbone interact. energy: -0.266
local terms energy: -237.794827
where:
bonds (distance) C4'-P energy: -60.418
bonds (distance) P-C4' energy: -57.480
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -42.676
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -381.551467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.551467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.551467 (E_RNA)
where:
Base-Base interactions energy: -181.056
where: short stacking energy: -116.078
Base-Backbone interact. energy: 4.272
local terms energy: -204.767057
where:
bonds (distance) C4'-P energy: -58.772
bonds (distance) P-C4' energy: -60.213
flat angles C4'-P-C4' energy: -36.670
flat angles P-C4'-P energy: -37.564
tors. eta vs tors. theta energy: -11.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -290.328948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.328948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.328948 (E_RNA)
where:
Base-Base interactions energy: -113.190
where: short stacking energy: -78.241
Base-Backbone interact. energy: -0.255
local terms energy: -177.365937
where:
bonds (distance) C4'-P energy: -57.793
bonds (distance) P-C4' energy: -51.548
flat angles C4'-P-C4' energy: -42.866
flat angles P-C4'-P energy: -26.034
tors. eta vs tors. theta energy: 0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.482 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1166.522897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.522897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.522897 (E_RNA)
where:
Base-Base interactions energy: -805.448
where: short stacking energy: -301.361
Base-Backbone interact. energy: -0.884
local terms energy: -360.190859
where:
bonds (distance) C4'-P energy: -68.782
bonds (distance) P-C4' energy: -74.015
flat angles C4'-P-C4' energy: -66.375
flat angles P-C4'-P energy: -53.484
tors. eta vs tors. theta energy: -97.535
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: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1105.136723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.136723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.136723 (E_RNA)
where:
Base-Base interactions energy: -743.131
where: short stacking energy: -313.557
Base-Backbone interact. energy: 2.935
local terms energy: -364.940859
where:
bonds (distance) C4'-P energy: -62.056
bonds (distance) P-C4' energy: -78.724
flat angles C4'-P-C4' energy: -77.084
flat angles P-C4'-P energy: -48.240
tors. eta vs tors. theta energy: -98.838
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: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1057.102363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.102363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.102363 (E_RNA)
where:
Base-Base interactions energy: -708.674
where: short stacking energy: -307.297
Base-Backbone interact. energy: -0.110
local terms energy: -348.318317
where:
bonds (distance) C4'-P energy: -67.106
bonds (distance) P-C4' energy: -65.784
flat angles C4'-P-C4' energy: -74.310
flat angles P-C4'-P energy: -45.261
tors. eta vs tors. theta energy: -95.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -951.912704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.912704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.912704 (E_RNA)
where:
Base-Base interactions energy: -628.235
where: short stacking energy: -275.717
Base-Backbone interact. energy: -0.265
local terms energy: -323.411858
where:
bonds (distance) C4'-P energy: -55.090
bonds (distance) P-C4' energy: -68.634
flat angles C4'-P-C4' energy: -66.651
flat angles P-C4'-P energy: -50.026
tors. eta vs tors. theta energy: -83.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -923.429594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.429594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.429594 (E_RNA)
where:
Base-Base interactions energy: -616.823
where: short stacking energy: -235.688
Base-Backbone interact. energy: -0.040
local terms energy: -306.566652
where:
bonds (distance) C4'-P energy: -69.879
bonds (distance) P-C4' energy: -48.620
flat angles C4'-P-C4' energy: -65.485
flat angles P-C4'-P energy: -44.229
tors. eta vs tors. theta energy: -78.354
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: 6, replica: 6
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -719.464304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.464304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.464304 (E_RNA)
where:
Base-Base interactions energy: -455.217
where: short stacking energy: -215.689
Base-Backbone interact. energy: 0.565
local terms energy: -264.812411
where:
bonds (distance) C4'-P energy: -52.237
bonds (distance) P-C4' energy: -55.024
flat angles C4'-P-C4' energy: -60.814
flat angles P-C4'-P energy: -41.728
tors. eta vs tors. theta energy: -55.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -621.115679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.115679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.115679 (E_RNA)
where:
Base-Base interactions energy: -392.143
where: short stacking energy: -195.388
Base-Backbone interact. energy: -2.399
local terms energy: -226.574084
where:
bonds (distance) C4'-P energy: -39.110
bonds (distance) P-C4' energy: -53.329
flat angles C4'-P-C4' energy: -56.732
flat angles P-C4'-P energy: -36.102
tors. eta vs tors. theta energy: -41.301
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: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -610.670651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.670651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.670651 (E_RNA)
where:
Base-Base interactions energy: -365.983
where: short stacking energy: -159.867
Base-Backbone interact. energy: -2.088
local terms energy: -242.599509
where:
bonds (distance) C4'-P energy: -53.256
bonds (distance) P-C4' energy: -61.148
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -40.408
tors. eta vs tors. theta energy: -35.739
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: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -436.892937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.892937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.892937 (E_RNA)
where:
Base-Base interactions energy: -222.444
where: short stacking energy: -110.590
Base-Backbone interact. energy: -0.551
local terms energy: -213.898064
where:
bonds (distance) C4'-P energy: -48.998
bonds (distance) P-C4' energy: -65.142
flat angles C4'-P-C4' energy: -45.672
flat angles P-C4'-P energy: -44.452
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -289.887894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.887894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.887894 (E_RNA)
where:
Base-Base interactions energy: -102.470
where: short stacking energy: -70.037
Base-Backbone interact. energy: -1.364
local terms energy: -186.053296
where:
bonds (distance) C4'-P energy: -57.203
bonds (distance) P-C4' energy: -58.200
flat angles C4'-P-C4' energy: -39.627
flat angles P-C4'-P energy: -27.667
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1178.317737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.317737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.317737 (E_RNA)
where:
Base-Base interactions energy: -818.365
where: short stacking energy: -324.955
Base-Backbone interact. energy: -0.849
local terms energy: -359.149664
where:
bonds (distance) C4'-P energy: -74.736
bonds (distance) P-C4' energy: -67.788
flat angles C4'-P-C4' energy: -70.871
flat angles P-C4'-P energy: -46.246
tors. eta vs tors. theta energy: -99.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.046 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1096.077819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.077819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.077819 (E_RNA)
where:
Base-Base interactions energy: -753.646
where: short stacking energy: -329.037
Base-Backbone interact. energy: -0.287
local terms energy: -342.144609
where:
bonds (distance) C4'-P energy: -61.403
bonds (distance) P-C4' energy: -69.558
flat angles C4'-P-C4' energy: -67.942
flat angles P-C4'-P energy: -49.963
tors. eta vs tors. theta energy: -93.278
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: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1075.238457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.238457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.238457 (E_RNA)
where:
Base-Base interactions energy: -729.777
where: short stacking energy: -313.829
Base-Backbone interact. energy: -0.463
local terms energy: -344.998895
where:
bonds (distance) C4'-P energy: -61.478
bonds (distance) P-C4' energy: -65.320
flat angles C4'-P-C4' energy: -74.166
flat angles P-C4'-P energy: -43.834
tors. eta vs tors. theta energy: -100.201
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: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -949.295731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.295731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.295731 (E_RNA)
where:
Base-Base interactions energy: -642.447
where: short stacking energy: -253.573
Base-Backbone interact. energy: -0.107
local terms energy: -306.740910
where:
bonds (distance) C4'-P energy: -61.600
bonds (distance) P-C4' energy: -67.296
flat angles C4'-P-C4' energy: -59.183
flat angles P-C4'-P energy: -48.548
tors. eta vs tors. theta energy: -70.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -898.189260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.189260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.189260 (E_RNA)
where:
Base-Base interactions energy: -588.845
where: short stacking energy: -243.410
Base-Backbone interact. energy: -0.076
local terms energy: -309.267674
where:
bonds (distance) C4'-P energy: -55.008
bonds (distance) P-C4' energy: -56.578
flat angles C4'-P-C4' energy: -66.774
flat angles P-C4'-P energy: -47.182
tors. eta vs tors. theta energy: -83.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -678.675538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.675538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.675538 (E_RNA)
where:
Base-Base interactions energy: -414.350
where: short stacking energy: -182.914
Base-Backbone interact. energy: -1.294
local terms energy: -263.031615
where:
bonds (distance) C4'-P energy: -72.680
bonds (distance) P-C4' energy: -61.713
flat angles C4'-P-C4' energy: -52.142
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -36.046
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: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -567.543836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.543836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.543836 (E_RNA)
where:
Base-Base interactions energy: -317.987
where: short stacking energy: -161.310
Base-Backbone interact. energy: -1.495
local terms energy: -248.061718
where:
bonds (distance) C4'-P energy: -58.746
bonds (distance) P-C4' energy: -59.080
flat angles C4'-P-C4' energy: -61.212
flat angles P-C4'-P energy: -41.000
tors. eta vs tors. theta energy: -28.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -590.209329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.209329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.209329 (E_RNA)
where:
Base-Base interactions energy: -362.235
where: short stacking energy: -166.160
Base-Backbone interact. energy: 0.595
local terms energy: -228.569487
where:
bonds (distance) C4'-P energy: -61.418
bonds (distance) P-C4' energy: -54.662
flat angles C4'-P-C4' energy: -54.994
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -33.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -454.090515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.090515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.090515 (E_RNA)
where:
Base-Base interactions energy: -229.831
where: short stacking energy: -116.225
Base-Backbone interact. energy: 2.167
local terms energy: -226.427216
where:
bonds (distance) C4'-P energy: -52.773
bonds (distance) P-C4' energy: -68.528
flat angles C4'-P-C4' energy: -48.248
flat angles P-C4'-P energy: -37.217
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -270.154606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.154606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.154606 (E_RNA)
where:
Base-Base interactions energy: -75.515
where: short stacking energy: -70.417
Base-Backbone interact. energy: 0.028
local terms energy: -194.667417
where:
bonds (distance) C4'-P energy: -53.899
bonds (distance) P-C4' energy: -71.227
flat angles C4'-P-C4' energy: -56.932
flat angles P-C4'-P energy: -24.315
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: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1176.617588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.617588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.617588 (E_RNA)
where:
Base-Base interactions energy: -806.555
where: short stacking energy: -321.840
Base-Backbone interact. energy: -1.562
local terms energy: -368.501076
where:
bonds (distance) C4'-P energy: -63.558
bonds (distance) P-C4' energy: -80.783
flat angles C4'-P-C4' energy: -72.101
flat angles P-C4'-P energy: -52.029
tors. eta vs tors. theta energy: -100.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1075.416733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.416733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.416733 (E_RNA)
where:
Base-Base interactions energy: -716.088
where: short stacking energy: -298.361
Base-Backbone interact. energy: -1.862
local terms energy: -357.466732
where:
bonds (distance) C4'-P energy: -63.329
bonds (distance) P-C4' energy: -74.432
flat angles C4'-P-C4' energy: -65.433
flat angles P-C4'-P energy: -51.322
tors. eta vs tors. theta energy: -102.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1077.730725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.730725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.730725 (E_RNA)
where:
Base-Base interactions energy: -735.058
where: short stacking energy: -319.548
Base-Backbone interact. energy: -0.716
local terms energy: -341.956330
where:
bonds (distance) C4'-P energy: -70.296
bonds (distance) P-C4' energy: -53.847
flat angles C4'-P-C4' energy: -68.000
flat angles P-C4'-P energy: -53.647
tors. eta vs tors. theta energy: -96.167
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: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -972.645984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.645984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.645984 (E_RNA)
where:
Base-Base interactions energy: -656.119
where: short stacking energy: -279.829
Base-Backbone interact. energy: -1.221
local terms energy: -315.305492
where:
bonds (distance) C4'-P energy: -64.998
bonds (distance) P-C4' energy: -61.794
flat angles C4'-P-C4' energy: -62.334
flat angles P-C4'-P energy: -45.406
tors. eta vs tors. theta energy: -80.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -881.453065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.453065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.453065 (E_RNA)
where:
Base-Base interactions energy: -586.876
where: short stacking energy: -262.613
Base-Backbone interact. energy: -0.532
local terms energy: -294.044668
where:
bonds (distance) C4'-P energy: -53.311
bonds (distance) P-C4' energy: -60.696
flat angles C4'-P-C4' energy: -64.076
flat angles P-C4'-P energy: -47.366
tors. eta vs tors. theta energy: -68.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -706.026020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.026020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.026020 (E_RNA)
where:
Base-Base interactions energy: -430.290
where: short stacking energy: -191.717
Base-Backbone interact. energy: -0.301
local terms energy: -275.435703
where:
bonds (distance) C4'-P energy: -61.475
bonds (distance) P-C4' energy: -54.426
flat angles C4'-P-C4' energy: -69.278
flat angles P-C4'-P energy: -47.897
tors. eta vs tors. theta energy: -42.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -604.458643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.458643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.458643 (E_RNA)
where:
Base-Base interactions energy: -384.048
where: short stacking energy: -170.227
Base-Backbone interact. energy: -2.205
local terms energy: -218.784055
where:
bonds (distance) C4'-P energy: -61.777
bonds (distance) P-C4' energy: -53.529
flat angles C4'-P-C4' energy: -55.517
flat angles P-C4'-P energy: -28.722
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.579 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -561.100462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.100462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.100462 (E_RNA)
where:
Base-Base interactions energy: -334.676
where: short stacking energy: -142.645
Base-Backbone interact. energy: 0.350
local terms energy: -226.774098
where:
bonds (distance) C4'-P energy: -51.159
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -56.162
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -25.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -429.727851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.727851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.727851 (E_RNA)
where:
Base-Base interactions energy: -226.973
where: short stacking energy: -119.384
Base-Backbone interact. energy: -2.065
local terms energy: -201.104560
where:
bonds (distance) C4'-P energy: -64.076
bonds (distance) P-C4' energy: -55.036
flat angles C4'-P-C4' energy: -56.664
flat angles P-C4'-P energy: -27.653
tors. eta vs tors. theta energy: 2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.416 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -260.950165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.950165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.950165 (E_RNA)
where:
Base-Base interactions energy: -73.957
where: short stacking energy: -52.897
Base-Backbone interact. energy: -2.234
local terms energy: -184.759611
where:
bonds (distance) C4'-P energy: -61.237
bonds (distance) P-C4' energy: -69.096
flat angles C4'-P-C4' energy: -43.418
flat angles P-C4'-P energy: -26.421
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: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1168.336213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.336213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.336213 (E_RNA)
where:
Base-Base interactions energy: -806.126
where: short stacking energy: -320.976
Base-Backbone interact. energy: -1.524
local terms energy: -360.686641
where:
bonds (distance) C4'-P energy: -76.468
bonds (distance) P-C4' energy: -64.543
flat angles C4'-P-C4' energy: -71.207
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -103.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1052.234826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.234826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.234826 (E_RNA)
where:
Base-Base interactions energy: -715.760
where: short stacking energy: -308.125
Base-Backbone interact. energy: 0.648
local terms energy: -337.123082
where:
bonds (distance) C4'-P energy: -56.951
bonds (distance) P-C4' energy: -66.403
flat angles C4'-P-C4' energy: -74.614
flat angles P-C4'-P energy: -48.204
tors. eta vs tors. theta energy: -90.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1083.590113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.590113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.590113 (E_RNA)
where:
Base-Base interactions energy: -747.887
where: short stacking energy: -295.519
Base-Backbone interact. energy: -0.948
local terms energy: -334.754699
where:
bonds (distance) C4'-P energy: -60.922
bonds (distance) P-C4' energy: -67.854
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -44.520
tors. eta vs tors. theta energy: -96.166
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: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -966.929619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.929619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.929619 (E_RNA)
where:
Base-Base interactions energy: -656.724
where: short stacking energy: -260.793
Base-Backbone interact. energy: 0.685
local terms energy: -310.890172
where:
bonds (distance) C4'-P energy: -64.185
bonds (distance) P-C4' energy: -54.599
flat angles C4'-P-C4' energy: -70.344
flat angles P-C4'-P energy: -50.478
tors. eta vs tors. theta energy: -71.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -911.244526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.244526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.244526 (E_RNA)
where:
Base-Base interactions energy: -607.800
where: short stacking energy: -263.104
Base-Backbone interact. energy: -3.660
local terms energy: -299.785113
where:
bonds (distance) C4'-P energy: -51.609
bonds (distance) P-C4' energy: -70.533
flat angles C4'-P-C4' energy: -65.097
flat angles P-C4'-P energy: -27.581
tors. eta vs tors. theta energy: -84.965
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: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -711.078130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.078130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.078130 (E_RNA)
where:
Base-Base interactions energy: -443.076
where: short stacking energy: -219.858
Base-Backbone interact. energy: -2.456
local terms energy: -265.546163
where:
bonds (distance) C4'-P energy: -49.468
bonds (distance) P-C4' energy: -49.727
flat angles C4'-P-C4' energy: -63.772
flat angles P-C4'-P energy: -42.024
tors. eta vs tors. theta energy: -60.555
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: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -600.723233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.723233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.723233 (E_RNA)
where:
Base-Base interactions energy: -364.581
where: short stacking energy: -169.766
Base-Backbone interact. energy: -0.900
local terms energy: -235.242165
where:
bonds (distance) C4'-P energy: -48.551
bonds (distance) P-C4' energy: -59.622
flat angles C4'-P-C4' energy: -61.295
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: -28.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -602.424839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.424839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.424839 (E_RNA)
where:
Base-Base interactions energy: -388.169
where: short stacking energy: -179.450
Base-Backbone interact. energy: 0.169
local terms energy: -214.424569
where:
bonds (distance) C4'-P energy: -55.987
bonds (distance) P-C4' energy: -48.013
flat angles C4'-P-C4' energy: -55.576
flat angles P-C4'-P energy: -29.366
tors. eta vs tors. theta energy: -25.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -414.322155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.322155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.322155 (E_RNA)
where:
Base-Base interactions energy: -205.898
where: short stacking energy: -113.914
Base-Backbone interact. energy: -0.716
local terms energy: -208.130294
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -55.175
flat angles C4'-P-C4' energy: -57.983
flat angles P-C4'-P energy: -31.857
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: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -289.056676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.056676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.056676 (E_RNA)
where:
Base-Base interactions energy: -93.359
where: short stacking energy: -87.350
Base-Backbone interact. energy: -1.584
local terms energy: -194.113947
where:
bonds (distance) C4'-P energy: -49.625
bonds (distance) P-C4' energy: -63.061
flat angles C4'-P-C4' energy: -50.975
flat angles P-C4'-P energy: -36.573
tors. eta vs tors. theta energy: 6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1177.969126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.969126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.969126 (E_RNA)
where:
Base-Base interactions energy: -802.782
where: short stacking energy: -335.313
Base-Backbone interact. energy: -0.492
local terms energy: -374.695408
where:
bonds (distance) C4'-P energy: -63.018
bonds (distance) P-C4' energy: -79.896
flat angles C4'-P-C4' energy: -76.798
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: -107.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1122.712901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.712901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.712901 (E_RNA)
where:
Base-Base interactions energy: -757.340
where: short stacking energy: -324.681
Base-Backbone interact. energy: 0.056
local terms energy: -365.428694
where:
bonds (distance) C4'-P energy: -70.244
bonds (distance) P-C4' energy: -72.721
flat angles C4'-P-C4' energy: -68.971
flat angles P-C4'-P energy: -51.913
tors. eta vs tors. theta energy: -101.581
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: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1032.623664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.623664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.623664 (E_RNA)
where:
Base-Base interactions energy: -684.827
where: short stacking energy: -297.589
Base-Backbone interact. energy: -0.775
local terms energy: -347.021629
where:
bonds (distance) C4'-P energy: -67.282
bonds (distance) P-C4' energy: -68.324
flat angles C4'-P-C4' energy: -70.475
flat angles P-C4'-P energy: -52.264
tors. eta vs tors. theta energy: -88.677
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: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -946.625198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.625198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.625198 (E_RNA)
where:
Base-Base interactions energy: -607.901
where: short stacking energy: -249.227
Base-Backbone interact. energy: 2.274
local terms energy: -340.997870
where:
bonds (distance) C4'-P energy: -72.687
bonds (distance) P-C4' energy: -79.590
flat angles C4'-P-C4' energy: -64.556
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -80.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -882.066640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.066640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.066640 (E_RNA)
where:
Base-Base interactions energy: -580.937
where: short stacking energy: -231.620
Base-Backbone interact. energy: 0.169
local terms energy: -301.298185
where:
bonds (distance) C4'-P energy: -68.576
bonds (distance) P-C4' energy: -66.432
flat angles C4'-P-C4' energy: -62.180
flat angles P-C4'-P energy: -40.725
tors. eta vs tors. theta energy: -63.384
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: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -714.344056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.344056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.344056 (E_RNA)
where:
Base-Base interactions energy: -428.768
where: short stacking energy: -202.058
Base-Backbone interact. energy: -0.915
local terms energy: -284.723134
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -71.799
flat angles C4'-P-C4' energy: -60.965
flat angles P-C4'-P energy: -42.753
tors. eta vs tors. theta energy: -58.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.062 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -599.001174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.001174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.001174 (E_RNA)
where:
Base-Base interactions energy: -332.830
where: short stacking energy: -137.077
Base-Backbone interact. energy: -1.312
local terms energy: -264.858408
where:
bonds (distance) C4'-P energy: -61.360
bonds (distance) P-C4' energy: -72.360
flat angles C4'-P-C4' energy: -70.844
flat angles P-C4'-P energy: -37.038
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: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -603.079843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.079843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.079843 (E_RNA)
where:
Base-Base interactions energy: -370.184
where: short stacking energy: -162.144
Base-Backbone interact. energy: 0.234
local terms energy: -233.130302
where:
bonds (distance) C4'-P energy: -71.196
bonds (distance) P-C4' energy: -60.329
flat angles C4'-P-C4' energy: -51.789
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -411.211952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.211952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.211952 (E_RNA)
where:
Base-Base interactions energy: -192.823
where: short stacking energy: -110.270
Base-Backbone interact. energy: 0.452
local terms energy: -218.840907
where:
bonds (distance) C4'-P energy: -52.727
bonds (distance) P-C4' energy: -62.900
flat angles C4'-P-C4' energy: -60.904
flat angles P-C4'-P energy: -28.487
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -278.541361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.541361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.541361 (E_RNA)
where:
Base-Base interactions energy: -102.840
where: short stacking energy: -79.415
Base-Backbone interact. energy: 0.800
local terms energy: -176.501725
where:
bonds (distance) C4'-P energy: -52.966
bonds (distance) P-C4' energy: -61.490
flat angles C4'-P-C4' energy: -38.661
flat angles P-C4'-P energy: -24.807
tors. eta vs tors. theta energy: 1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1163.638686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.638686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.638686 (E_RNA)
where:
Base-Base interactions energy: -793.358
where: short stacking energy: -322.909
Base-Backbone interact. energy: -1.776
local terms energy: -368.504815
where:
bonds (distance) C4'-P energy: -65.594
bonds (distance) P-C4' energy: -77.735
flat angles C4'-P-C4' energy: -80.207
flat angles P-C4'-P energy: -46.941
tors. eta vs tors. theta energy: -98.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1103.371173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.371173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.371173 (E_RNA)
where:
Base-Base interactions energy: -752.010
where: short stacking energy: -318.063
Base-Backbone interact. energy: -0.032
local terms energy: -351.329393
where:
bonds (distance) C4'-P energy: -61.129
bonds (distance) P-C4' energy: -63.484
flat angles C4'-P-C4' energy: -75.711
flat angles P-C4'-P energy: -43.216
tors. eta vs tors. theta energy: -107.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -992.518017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.518017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.518017 (E_RNA)
where:
Base-Base interactions energy: -694.658
where: short stacking energy: -271.765
Base-Backbone interact. energy: -0.987
local terms energy: -297.921000
where:
bonds (distance) C4'-P energy: -65.632
bonds (distance) P-C4' energy: -50.471
flat angles C4'-P-C4' energy: -65.087
flat angles P-C4'-P energy: -43.905
tors. eta vs tors. theta energy: -72.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.048 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -981.013185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.013185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.013185 (E_RNA)
where:
Base-Base interactions energy: -669.296
where: short stacking energy: -259.089
Base-Backbone interact. energy: -0.449
local terms energy: -311.268330
where:
bonds (distance) C4'-P energy: -60.899
bonds (distance) P-C4' energy: -64.911
flat angles C4'-P-C4' energy: -63.658
flat angles P-C4'-P energy: -49.324
tors. eta vs tors. theta energy: -72.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -862.797071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.797071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.797071 (E_RNA)
where:
Base-Base interactions energy: -555.468
where: short stacking energy: -241.950
Base-Backbone interact. energy: -0.467
local terms energy: -306.861728
where:
bonds (distance) C4'-P energy: -58.230
bonds (distance) P-C4' energy: -65.712
flat angles C4'-P-C4' energy: -61.033
flat angles P-C4'-P energy: -50.187
tors. eta vs tors. theta energy: -71.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -702.356811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.356811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.356811 (E_RNA)
where:
Base-Base interactions energy: -445.669
where: short stacking energy: -202.544
Base-Backbone interact. energy: 1.165
local terms energy: -257.851974
where:
bonds (distance) C4'-P energy: -66.586
bonds (distance) P-C4' energy: -61.014
flat angles C4'-P-C4' energy: -43.793
flat angles P-C4'-P energy: -43.385
tors. eta vs tors. theta energy: -43.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -569.540069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.540069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.540069 (E_RNA)
where:
Base-Base interactions energy: -329.939
where: short stacking energy: -174.990
Base-Backbone interact. energy: 0.541
local terms energy: -240.141397
where:
bonds (distance) C4'-P energy: -61.267
bonds (distance) P-C4' energy: -61.899
flat angles C4'-P-C4' energy: -47.132
flat angles P-C4'-P energy: -43.983
tors. eta vs tors. theta energy: -25.860
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: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -542.678712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.678712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.678712 (E_RNA)
where:
Base-Base interactions energy: -317.242
where: short stacking energy: -175.611
Base-Backbone interact. energy: -0.914
local terms energy: -224.522568
where:
bonds (distance) C4'-P energy: -57.329
bonds (distance) P-C4' energy: -57.662
flat angles C4'-P-C4' energy: -54.349
flat angles P-C4'-P energy: -38.202
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -387.525129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.525129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.525129 (E_RNA)
where:
Base-Base interactions energy: -200.338
where: short stacking energy: -107.161
Base-Backbone interact. energy: -1.532
local terms energy: -185.654970
where:
bonds (distance) C4'-P energy: -51.565
bonds (distance) P-C4' energy: -57.066
flat angles C4'-P-C4' energy: -43.291
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -259.193500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.193500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.193500 (E_RNA)
where:
Base-Base interactions energy: -80.927
where: short stacking energy: -61.437
Base-Backbone interact. energy: 0.385
local terms energy: -178.651091
where:
bonds (distance) C4'-P energy: -61.039
bonds (distance) P-C4' energy: -55.142
flat angles C4'-P-C4' energy: -52.577
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: 15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1189.584450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.584450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.584450 (E_RNA)
where:
Base-Base interactions energy: -816.411
where: short stacking energy: -329.801
Base-Backbone interact. energy: -0.930
local terms energy: -372.561116
where:
bonds (distance) C4'-P energy: -68.201
bonds (distance) P-C4' energy: -65.929
flat angles C4'-P-C4' energy: -78.638
flat angles P-C4'-P energy: -56.249
tors. eta vs tors. theta energy: -103.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.317 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1103.670398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.670398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.670398 (E_RNA)
where:
Base-Base interactions energy: -758.193
where: short stacking energy: -326.768
Base-Backbone interact. energy: 0.097
local terms energy: -345.574513
where:
bonds (distance) C4'-P energy: -59.738
bonds (distance) P-C4' energy: -64.786
flat angles C4'-P-C4' energy: -72.284
flat angles P-C4'-P energy: -53.911
tors. eta vs tors. theta energy: -94.855
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: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1000.836868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.836868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.836868 (E_RNA)
where:
Base-Base interactions energy: -675.254
where: short stacking energy: -261.088
Base-Backbone interact. energy: -1.126
local terms energy: -324.456698
where:
bonds (distance) C4'-P energy: -64.251
bonds (distance) P-C4' energy: -66.898
flat angles C4'-P-C4' energy: -74.359
flat angles P-C4'-P energy: -45.792
tors. eta vs tors. theta energy: -73.155
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: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -995.194317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.194317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.194317 (E_RNA)
where:
Base-Base interactions energy: -677.021
where: short stacking energy: -284.348
Base-Backbone interact. energy: -1.933
local terms energy: -316.240036
where:
bonds (distance) C4'-P energy: -59.500
bonds (distance) P-C4' energy: -57.782
flat angles C4'-P-C4' energy: -72.090
flat angles P-C4'-P energy: -44.779
tors. eta vs tors. theta energy: -82.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -872.116278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.116278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.116278 (E_RNA)
where:
Base-Base interactions energy: -568.148
where: short stacking energy: -251.407
Base-Backbone interact. energy: -0.430
local terms energy: -303.537990
where:
bonds (distance) C4'-P energy: -67.483
bonds (distance) P-C4' energy: -60.243
flat angles C4'-P-C4' energy: -58.483
flat angles P-C4'-P energy: -48.801
tors. eta vs tors. theta energy: -68.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -748.254221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.254221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.254221 (E_RNA)
where:
Base-Base interactions energy: -460.966
where: short stacking energy: -218.748
Base-Backbone interact. energy: 1.643
local terms energy: -288.931317
where:
bonds (distance) C4'-P energy: -60.308
bonds (distance) P-C4' energy: -63.613
flat angles C4'-P-C4' energy: -66.556
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: -61.848
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: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -617.379951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.379951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.379951 (E_RNA)
where:
Base-Base interactions energy: -359.385
where: short stacking energy: -165.491
Base-Backbone interact. energy: -0.962
local terms energy: -257.032571
where:
bonds (distance) C4'-P energy: -57.616
bonds (distance) P-C4' energy: -69.311
flat angles C4'-P-C4' energy: -63.319
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: -33.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -541.351093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.351093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.351093 (E_RNA)
where:
Base-Base interactions energy: -311.855
where: short stacking energy: -147.360
Base-Backbone interact. energy: 1.563
local terms energy: -231.059474
where:
bonds (distance) C4'-P energy: -55.749
bonds (distance) P-C4' energy: -64.335
flat angles C4'-P-C4' energy: -43.570
flat angles P-C4'-P energy: -43.260
tors. eta vs tors. theta energy: -24.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -365.004496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.004496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.004496 (E_RNA)
where:
Base-Base interactions energy: -169.426
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.632
local terms energy: -194.946206
where:
bonds (distance) C4'-P energy: -58.332
bonds (distance) P-C4' energy: -54.107
flat angles C4'-P-C4' energy: -43.662
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -292.989084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.989084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.989084 (E_RNA)
where:
Base-Base interactions energy: -112.296
where: short stacking energy: -88.569
Base-Backbone interact. energy: -1.491
local terms energy: -179.201754
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -57.981
flat angles C4'-P-C4' energy: -46.873
flat angles P-C4'-P energy: -29.968
tors. eta vs tors. theta energy: 5.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1173.331791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.331791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.331791 (E_RNA)
where:
Base-Base interactions energy: -814.184
where: short stacking energy: -322.314
Base-Backbone interact. energy: -1.273
local terms energy: -357.875204
where:
bonds (distance) C4'-P energy: -57.519
bonds (distance) P-C4' energy: -66.296
flat angles C4'-P-C4' energy: -76.127
flat angles P-C4'-P energy: -57.299
tors. eta vs tors. theta energy: -100.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1101.689290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.689290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.689290 (E_RNA)
where:
Base-Base interactions energy: -750.232
where: short stacking energy: -326.242
Base-Backbone interact. energy: -1.578
local terms energy: -349.878992
where:
bonds (distance) C4'-P energy: -60.055
bonds (distance) P-C4' energy: -59.209
flat angles C4'-P-C4' energy: -77.354
flat angles P-C4'-P energy: -49.780
tors. eta vs tors. theta energy: -103.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1037.770362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.770362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.770362 (E_RNA)
where:
Base-Base interactions energy: -695.005
where: short stacking energy: -295.420
Base-Backbone interact. energy: -2.209
local terms energy: -340.556377
where:
bonds (distance) C4'-P energy: -61.010
bonds (distance) P-C4' energy: -71.679
flat angles C4'-P-C4' energy: -67.772
flat angles P-C4'-P energy: -48.314
tors. eta vs tors. theta energy: -91.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -990.551231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.551231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.551231 (E_RNA)
where:
Base-Base interactions energy: -677.777
where: short stacking energy: -277.214
Base-Backbone interact. energy: -0.435
local terms energy: -312.339159
where:
bonds (distance) C4'-P energy: -59.366
bonds (distance) P-C4' energy: -55.622
flat angles C4'-P-C4' energy: -68.260
flat angles P-C4'-P energy: -47.615
tors. eta vs tors. theta energy: -81.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -867.939581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.939581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.939581 (E_RNA)
where:
Base-Base interactions energy: -577.499
where: short stacking energy: -245.211
Base-Backbone interact. energy: 2.662
local terms energy: -293.102601
where:
bonds (distance) C4'-P energy: -63.843
bonds (distance) P-C4' energy: -52.438
flat angles C4'-P-C4' energy: -58.675
flat angles P-C4'-P energy: -41.759
tors. eta vs tors. theta energy: -76.387
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: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -723.685370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.685370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.685370 (E_RNA)
where:
Base-Base interactions energy: -452.537
where: short stacking energy: -207.435
Base-Backbone interact. energy: 0.708
local terms energy: -271.994602
where:
bonds (distance) C4'-P energy: -55.117
bonds (distance) P-C4' energy: -62.874
flat angles C4'-P-C4' energy: -62.504
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: -55.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.138 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -596.712328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.712328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.712328 (E_RNA)
where:
Base-Base interactions energy: -356.400
where: short stacking energy: -150.162
Base-Backbone interact. energy: -1.109
local terms energy: -239.203720
where:
bonds (distance) C4'-P energy: -55.380
bonds (distance) P-C4' energy: -55.469
flat angles C4'-P-C4' energy: -55.079
flat angles P-C4'-P energy: -39.964
tors. eta vs tors. theta energy: -33.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -538.346699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.346699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.346699 (E_RNA)
where:
Base-Base interactions energy: -313.991
where: short stacking energy: -140.251
Base-Backbone interact. energy: -0.404
local terms energy: -223.951904
where:
bonds (distance) C4'-P energy: -55.103
bonds (distance) P-C4' energy: -50.683
flat angles C4'-P-C4' energy: -57.074
flat angles P-C4'-P energy: -38.701
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -281.505016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.505016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.505016 (E_RNA)
where:
Base-Base interactions energy: -93.199
where: short stacking energy: -62.273
Base-Backbone interact. energy: -0.025
local terms energy: -188.281574
where:
bonds (distance) C4'-P energy: -50.002
bonds (distance) P-C4' energy: -62.741
flat angles C4'-P-C4' energy: -52.017
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -373.310218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.310218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.310218 (E_RNA)
where:
Base-Base interactions energy: -173.228
where: short stacking energy: -110.883
Base-Backbone interact. energy: -0.664
local terms energy: -199.417948
where:
bonds (distance) C4'-P energy: -61.292
bonds (distance) P-C4' energy: -51.741
flat angles C4'-P-C4' energy: -51.653
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: -7.325
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: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1171.145175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.145175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.145175 (E_RNA)
where:
Base-Base interactions energy: -808.936
where: short stacking energy: -321.466
Base-Backbone interact. energy: -2.440
local terms energy: -359.769474
where:
bonds (distance) C4'-P energy: -65.853
bonds (distance) P-C4' energy: -63.575
flat angles C4'-P-C4' energy: -79.101
flat angles P-C4'-P energy: -52.765
tors. eta vs tors. theta energy: -98.475
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: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1083.284317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.284317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.284317 (E_RNA)
where:
Base-Base interactions energy: -728.804
where: short stacking energy: -296.455
Base-Backbone interact. energy: -0.656
local terms energy: -353.824327
where:
bonds (distance) C4'-P energy: -68.385
bonds (distance) P-C4' energy: -64.946
flat angles C4'-P-C4' energy: -68.765
flat angles P-C4'-P energy: -47.749
tors. eta vs tors. theta energy: -103.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1053.059677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.059677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.059677 (E_RNA)
where:
Base-Base interactions energy: -711.678
where: short stacking energy: -299.869
Base-Backbone interact. energy: -0.634
local terms energy: -340.747226
where:
bonds (distance) C4'-P energy: -67.837
bonds (distance) P-C4' energy: -67.247
flat angles C4'-P-C4' energy: -65.134
flat angles P-C4'-P energy: -46.211
tors. eta vs tors. theta energy: -94.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -922.652840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.652840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.652840 (E_RNA)
where:
Base-Base interactions energy: -611.820
where: short stacking energy: -245.695
Base-Backbone interact. energy: -1.142
local terms energy: -309.690132
where:
bonds (distance) C4'-P energy: -54.503
bonds (distance) P-C4' energy: -72.977
flat angles C4'-P-C4' energy: -66.746
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: -74.097
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: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -885.157505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.157505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.157505 (E_RNA)
where:
Base-Base interactions energy: -592.728
where: short stacking energy: -251.197
Base-Backbone interact. energy: -0.668
local terms energy: -291.760890
where:
bonds (distance) C4'-P energy: -60.520
bonds (distance) P-C4' energy: -66.652
flat angles C4'-P-C4' energy: -54.334
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -80.066
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: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -754.656551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.656551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.656551 (E_RNA)
where:
Base-Base interactions energy: -478.720
where: short stacking energy: -193.153
Base-Backbone interact. energy: -2.655
local terms energy: -273.281665
where:
bonds (distance) C4'-P energy: -56.879
bonds (distance) P-C4' energy: -58.855
flat angles C4'-P-C4' energy: -68.663
flat angles P-C4'-P energy: -41.856
tors. eta vs tors. theta energy: -47.028
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: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -590.208247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.208247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.208247 (E_RNA)
where:
Base-Base interactions energy: -356.033
where: short stacking energy: -160.960
Base-Backbone interact. energy: -1.371
local terms energy: -232.803896
where:
bonds (distance) C4'-P energy: -63.764
bonds (distance) P-C4' energy: -56.132
flat angles C4'-P-C4' energy: -47.867
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -33.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -604.350690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.350690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.350690 (E_RNA)
where:
Base-Base interactions energy: -362.066
where: short stacking energy: -168.334
Base-Backbone interact. energy: -1.020
local terms energy: -242.454867
where:
bonds (distance) C4'-P energy: -57.072
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -59.930
flat angles P-C4'-P energy: -30.441
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: 1.190 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -284.605541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.605541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.605541 (E_RNA)
where:
Base-Base interactions energy: -105.025
where: short stacking energy: -82.064
Base-Backbone interact. energy: 1.363
local terms energy: -180.944125
where:
bonds (distance) C4'-P energy: -57.966
bonds (distance) P-C4' energy: -56.066
flat angles C4'-P-C4' energy: -56.323
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: 5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -336.371405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.371405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.371405 (E_RNA)
where:
Base-Base interactions energy: -132.232
where: short stacking energy: -73.467
Base-Backbone interact. energy: -0.395
local terms energy: -203.744416
where:
bonds (distance) C4'-P energy: -57.125
bonds (distance) P-C4' energy: -60.829
flat angles C4'-P-C4' energy: -56.238
flat angles P-C4'-P energy: -39.131
tors. eta vs tors. theta energy: 9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1171.125021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.125021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.125021 (E_RNA)
where:
Base-Base interactions energy: -798.774
where: short stacking energy: -323.349
Base-Backbone interact. energy: -0.385
local terms energy: -371.965388
where:
bonds (distance) C4'-P energy: -67.474
bonds (distance) P-C4' energy: -72.249
flat angles C4'-P-C4' energy: -76.841
flat angles P-C4'-P energy: -51.156
tors. eta vs tors. theta energy: -104.245
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: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1092.978077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.978077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.978077 (E_RNA)
where:
Base-Base interactions energy: -756.120
where: short stacking energy: -309.069
Base-Backbone interact. energy: 0.890
local terms energy: -337.747907
where:
bonds (distance) C4'-P energy: -63.340
bonds (distance) P-C4' energy: -70.602
flat angles C4'-P-C4' energy: -70.288
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -92.245
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: 444
Temperature: 1.000000
Total energy: -1063.067183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.067183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.067183 (E_RNA)
where:
Base-Base interactions energy: -726.281
where: short stacking energy: -307.312
Base-Backbone interact. energy: -4.264
local terms energy: -332.521543
where:
bonds (distance) C4'-P energy: -52.428
bonds (distance) P-C4' energy: -66.826
flat angles C4'-P-C4' energy: -74.359
flat angles P-C4'-P energy: -48.520
tors. eta vs tors. theta energy: -90.389
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: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -950.065304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.065304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.065304 (E_RNA)
where:
Base-Base interactions energy: -633.709
where: short stacking energy: -274.517
Base-Backbone interact. energy: -0.348
local terms energy: -316.008110
where:
bonds (distance) C4'-P energy: -53.491
bonds (distance) P-C4' energy: -70.007
flat angles C4'-P-C4' energy: -72.644
flat angles P-C4'-P energy: -46.570
tors. eta vs tors. theta energy: -73.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -871.597890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.597890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.597890 (E_RNA)
where:
Base-Base interactions energy: -565.782
where: short stacking energy: -241.458
Base-Backbone interact. energy: -1.176
local terms energy: -304.639784
where:
bonds (distance) C4'-P energy: -61.141
bonds (distance) P-C4' energy: -66.661
flat angles C4'-P-C4' energy: -66.650
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -71.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -657.148491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.148491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.148491 (E_RNA)
where:
Base-Base interactions energy: -435.693
where: short stacking energy: -213.425
Base-Backbone interact. energy: 0.875
local terms energy: -222.330927
where:
bonds (distance) C4'-P energy: -54.421
bonds (distance) P-C4' energy: -52.692
flat angles C4'-P-C4' energy: -43.731
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -46.780
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: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -640.758105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.758105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.758105 (E_RNA)
where:
Base-Base interactions energy: -407.688
where: short stacking energy: -190.567
Base-Backbone interact. energy: -1.148
local terms energy: -231.921928
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -49.879
flat angles C4'-P-C4' energy: -60.460
flat angles P-C4'-P energy: -36.865
tors. eta vs tors. theta energy: -37.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -568.062038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.062038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.062038 (E_RNA)
where:
Base-Base interactions energy: -361.318
where: short stacking energy: -149.894
Base-Backbone interact. energy: -0.736
local terms energy: -206.008531
where:
bonds (distance) C4'-P energy: -46.367
bonds (distance) P-C4' energy: -57.597
flat angles C4'-P-C4' energy: -54.410
flat angles P-C4'-P energy: -33.663
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -375.739242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.739242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.739242 (E_RNA)
where:
Base-Base interactions energy: -160.307
where: short stacking energy: -98.310
Base-Backbone interact. energy: 1.479
local terms energy: -217.308586
where:
bonds (distance) C4'-P energy: -58.273
bonds (distance) P-C4' energy: -71.516
flat angles C4'-P-C4' energy: -52.809
flat angles P-C4'-P energy: -33.096
tors. eta vs tors. theta energy: -1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.397 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -279.737395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.737395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.737395 (E_RNA)
where:
Base-Base interactions energy: -104.985
where: short stacking energy: -87.633
Base-Backbone interact. energy: 3.447
local terms energy: -178.406427
where:
bonds (distance) C4'-P energy: -51.618
bonds (distance) P-C4' energy: -48.745
flat angles C4'-P-C4' energy: -47.280
flat angles P-C4'-P energy: -32.891
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: 0.207 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1149.808356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.808356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.808356 (E_RNA)
where:
Base-Base interactions energy: -788.959
where: short stacking energy: -308.268
Base-Backbone interact. energy: 1.266
local terms energy: -362.148309
where:
bonds (distance) C4'-P energy: -70.340
bonds (distance) P-C4' energy: -69.120
flat angles C4'-P-C4' energy: -74.708
flat angles P-C4'-P energy: -46.872
tors. eta vs tors. theta energy: -101.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.033 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1101.042676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.042676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.042676 (E_RNA)
where:
Base-Base interactions energy: -753.050
where: short stacking energy: -324.362
Base-Backbone interact. energy: -0.191
local terms energy: -347.801850
where:
bonds (distance) C4'-P energy: -59.102
bonds (distance) P-C4' energy: -64.546
flat angles C4'-P-C4' energy: -72.556
flat angles P-C4'-P energy: -48.681
tors. eta vs tors. theta energy: -102.917
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: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1018.931630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.931630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.931630 (E_RNA)
where:
Base-Base interactions energy: -695.505
where: short stacking energy: -294.786
Base-Backbone interact. energy: -0.014
local terms energy: -323.412789
where:
bonds (distance) C4'-P energy: -69.538
bonds (distance) P-C4' energy: -69.410
flat angles C4'-P-C4' energy: -64.805
flat angles P-C4'-P energy: -38.348
tors. eta vs tors. theta energy: -81.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -924.574475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.574475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.574475 (E_RNA)
where:
Base-Base interactions energy: -618.111
where: short stacking energy: -237.544
Base-Backbone interact. energy: -2.354
local terms energy: -304.109133
where:
bonds (distance) C4'-P energy: -58.336
bonds (distance) P-C4' energy: -61.015
flat angles C4'-P-C4' energy: -62.630
flat angles P-C4'-P energy: -47.952
tors. eta vs tors. theta energy: -74.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -821.895725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.895725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.895725 (E_RNA)
where:
Base-Base interactions energy: -560.331
where: short stacking energy: -223.500
Base-Backbone interact. energy: 6.656
local terms energy: -268.572129
where:
bonds (distance) C4'-P energy: -66.730
bonds (distance) P-C4' energy: -52.976
flat angles C4'-P-C4' energy: -58.927
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -56.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.352 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -697.192754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.192754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.192754 (E_RNA)
where:
Base-Base interactions energy: -443.967
where: short stacking energy: -200.753
Base-Backbone interact. energy: -2.347
local terms energy: -250.944887
where:
bonds (distance) C4'-P energy: -56.541
bonds (distance) P-C4' energy: -47.646
flat angles C4'-P-C4' energy: -55.260
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -50.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.066 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -576.918403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.918403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.918403 (E_RNA)
where:
Base-Base interactions energy: -329.494
where: short stacking energy: -175.950
Base-Backbone interact. energy: 1.346
local terms energy: -249.117588
where:
bonds (distance) C4'-P energy: -58.730
bonds (distance) P-C4' energy: -63.988
flat angles C4'-P-C4' energy: -58.800
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -43.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.347 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -574.783090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.783090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.783090 (E_RNA)
where:
Base-Base interactions energy: -337.939
where: short stacking energy: -166.035
Base-Backbone interact. energy: -1.516
local terms energy: -236.170742
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -56.885
flat angles C4'-P-C4' energy: -59.519
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -39.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.842 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -407.542824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.542824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.542824 (E_RNA)
where:
Base-Base interactions energy: -227.153
where: short stacking energy: -121.620
Base-Backbone interact. energy: -0.924
local terms energy: -179.466244
where:
bonds (distance) C4'-P energy: -46.341
bonds (distance) P-C4' energy: -54.013
flat angles C4'-P-C4' energy: -43.665
flat angles P-C4'-P energy: -29.995
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -244.683021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.683021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.683021 (E_RNA)
where:
Base-Base interactions energy: -73.544
where: short stacking energy: -60.161
Base-Backbone interact. energy: -0.207
local terms energy: -170.932327
where:
bonds (distance) C4'-P energy: -59.859
bonds (distance) P-C4' energy: -64.817
flat angles C4'-P-C4' energy: -32.016
flat angles P-C4'-P energy: -28.661
tors. eta vs tors. theta energy: 14.421
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: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1120.622761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.622761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.622761 (E_RNA)
where:
Base-Base interactions energy: -762.610
where: short stacking energy: -312.753
Base-Backbone interact. energy: -0.534
local terms energy: -357.478199
where:
bonds (distance) C4'-P energy: -61.970
bonds (distance) P-C4' energy: -73.184
flat angles C4'-P-C4' energy: -72.034
flat angles P-C4'-P energy: -51.934
tors. eta vs tors. theta energy: -98.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1126.448984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.448984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.448984 (E_RNA)
where:
Base-Base interactions energy: -789.503
where: short stacking energy: -304.635
Base-Backbone interact. energy: -0.697
local terms energy: -336.248392
where:
bonds (distance) C4'-P energy: -63.007
bonds (distance) P-C4' energy: -56.400
flat angles C4'-P-C4' energy: -69.021
flat angles P-C4'-P energy: -50.873
tors. eta vs tors. theta energy: -96.947
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: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1032.752691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.752691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.752691 (E_RNA)
where:
Base-Base interactions energy: -688.544
where: short stacking energy: -274.619
Base-Backbone interact. energy: -1.579
local terms energy: -342.629710
where:
bonds (distance) C4'-P energy: -64.192
bonds (distance) P-C4' energy: -68.022
flat angles C4'-P-C4' energy: -69.661
flat angles P-C4'-P energy: -51.459
tors. eta vs tors. theta energy: -89.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -975.177614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.177614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.177614 (E_RNA)
where:
Base-Base interactions energy: -655.357
where: short stacking energy: -264.754
Base-Backbone interact. energy: 0.082
local terms energy: -319.903284
where:
bonds (distance) C4'-P energy: -61.279
bonds (distance) P-C4' energy: -62.585
flat angles C4'-P-C4' energy: -67.004
flat angles P-C4'-P energy: -50.456
tors. eta vs tors. theta energy: -78.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -870.518388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.518388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.518388 (E_RNA)
where:
Base-Base interactions energy: -559.353
where: short stacking energy: -230.591
Base-Backbone interact. energy: -3.299
local terms energy: -307.865607
where:
bonds (distance) C4'-P energy: -59.069
bonds (distance) P-C4' energy: -70.978
flat angles C4'-P-C4' energy: -68.586
flat angles P-C4'-P energy: -35.018
tors. eta vs tors. theta energy: -74.215
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: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -657.779256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.779256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.779256 (E_RNA)
where:
Base-Base interactions energy: -404.349
where: short stacking energy: -189.171
Base-Backbone interact. energy: -2.935
local terms energy: -250.495782
where:
bonds (distance) C4'-P energy: -57.125
bonds (distance) P-C4' energy: -58.280
flat angles C4'-P-C4' energy: -54.152
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: -42.849
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: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -592.394539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.394539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.394539 (E_RNA)
where:
Base-Base interactions energy: -337.701
where: short stacking energy: -177.799
Base-Backbone interact. energy: 2.769
local terms energy: -257.462397
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -69.552
flat angles C4'-P-C4' energy: -68.763
flat angles P-C4'-P energy: -32.864
tors. eta vs tors. theta energy: -37.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -568.686221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.686221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.686221 (E_RNA)
where:
Base-Base interactions energy: -337.989
where: short stacking energy: -151.906
Base-Backbone interact. energy: -1.166
local terms energy: -229.531305
where:
bonds (distance) C4'-P energy: -61.304
bonds (distance) P-C4' energy: -52.069
flat angles C4'-P-C4' energy: -58.087
flat angles P-C4'-P energy: -34.271
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: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -457.909646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.909646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.909646 (E_RNA)
where:
Base-Base interactions energy: -250.500
where: short stacking energy: -136.107
Base-Backbone interact. energy: 0.199
local terms energy: -207.608390
where:
bonds (distance) C4'-P energy: -48.576
bonds (distance) P-C4' energy: -48.328
flat angles C4'-P-C4' energy: -57.249
flat angles P-C4'-P energy: -45.322
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: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -262.358104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.358104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.358104 (E_RNA)
where:
Base-Base interactions energy: -93.270
where: short stacking energy: -80.676
Base-Backbone interact. energy: -1.179
local terms energy: -167.908654
where:
bonds (distance) C4'-P energy: -43.634
bonds (distance) P-C4' energy: -65.056
flat angles C4'-P-C4' energy: -47.688
flat angles P-C4'-P energy: -18.276
tors. eta vs tors. theta energy: 6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1131.304585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.304585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.304585 (E_RNA)
where:
Base-Base interactions energy: -765.759
where: short stacking energy: -319.568
Base-Backbone interact. energy: -0.189
local terms energy: -365.356423
where:
bonds (distance) C4'-P energy: -69.657
bonds (distance) P-C4' energy: -70.824
flat angles C4'-P-C4' energy: -73.951
flat angles P-C4'-P energy: -51.128
tors. eta vs tors. theta energy: -99.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1135.517820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.517820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.517820 (E_RNA)
where:
Base-Base interactions energy: -786.806
where: short stacking energy: -319.184
Base-Backbone interact. energy: 0.238
local terms energy: -348.949892
where:
bonds (distance) C4'-P energy: -63.317
bonds (distance) P-C4' energy: -58.888
flat angles C4'-P-C4' energy: -67.105
flat angles P-C4'-P energy: -51.669
tors. eta vs tors. theta energy: -107.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1057.094186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.094186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.094186 (E_RNA)
where:
Base-Base interactions energy: -726.581
where: short stacking energy: -298.867
Base-Backbone interact. energy: -0.477
local terms energy: -330.036312
where:
bonds (distance) C4'-P energy: -68.747
bonds (distance) P-C4' energy: -64.427
flat angles C4'-P-C4' energy: -70.636
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -88.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -981.724201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.724201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.724201 (E_RNA)
where:
Base-Base interactions energy: -661.703
where: short stacking energy: -278.795
Base-Backbone interact. energy: 2.079
local terms energy: -324.701517
where:
bonds (distance) C4'-P energy: -63.635
bonds (distance) P-C4' energy: -68.671
flat angles C4'-P-C4' energy: -58.947
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: -90.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.601 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -837.710682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.710682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.710682 (E_RNA)
where:
Base-Base interactions energy: -549.467
where: short stacking energy: -227.246
Base-Backbone interact. energy: 0.189
local terms energy: -288.433175
where:
bonds (distance) C4'-P energy: -69.296
bonds (distance) P-C4' energy: -60.037
flat angles C4'-P-C4' energy: -63.707
flat angles P-C4'-P energy: -38.754
tors. eta vs tors. theta energy: -56.639
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: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -681.131752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.131752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.131752 (E_RNA)
where:
Base-Base interactions energy: -420.813
where: short stacking energy: -201.612
Base-Backbone interact. energy: 0.486
local terms energy: -260.805424
where:
bonds (distance) C4'-P energy: -50.597
bonds (distance) P-C4' energy: -63.819
flat angles C4'-P-C4' energy: -58.752
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -47.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -593.184632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.184632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.184632 (E_RNA)
where:
Base-Base interactions energy: -360.778
where: short stacking energy: -161.781
Base-Backbone interact. energy: 0.283
local terms energy: -232.689714
where:
bonds (distance) C4'-P energy: -49.070
bonds (distance) P-C4' energy: -63.899
flat angles C4'-P-C4' energy: -60.504
flat angles P-C4'-P energy: -26.013
tors. eta vs tors. theta energy: -33.203
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: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -601.941035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.941035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.941035 (E_RNA)
where:
Base-Base interactions energy: -370.160
where: short stacking energy: -174.587
Base-Backbone interact. energy: 4.222
local terms energy: -236.003488
where:
bonds (distance) C4'-P energy: -57.762
bonds (distance) P-C4' energy: -56.858
flat angles C4'-P-C4' energy: -56.563
flat angles P-C4'-P energy: -28.425
tors. eta vs tors. theta energy: -36.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -397.913653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.913653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.913653 (E_RNA)
where:
Base-Base interactions energy: -212.645
where: short stacking energy: -112.438
Base-Backbone interact. energy: -1.779
local terms energy: -183.490034
where:
bonds (distance) C4'-P energy: -44.222
bonds (distance) P-C4' energy: -43.286
flat angles C4'-P-C4' energy: -52.209
flat angles P-C4'-P energy: -31.925
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: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -249.755216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.755216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.755216 (E_RNA)
where:
Base-Base interactions energy: -71.846
where: short stacking energy: -48.747
Base-Backbone interact. energy: -0.693
local terms energy: -177.215831
where:
bonds (distance) C4'-P energy: -47.556
bonds (distance) P-C4' energy: -66.325
flat angles C4'-P-C4' energy: -42.970
flat angles P-C4'-P energy: -37.017
tors. eta vs tors. theta energy: 16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1143.217275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.217275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.217275 (E_RNA)
where:
Base-Base interactions energy: -774.942
where: short stacking energy: -326.422
Base-Backbone interact. energy: -0.215
local terms energy: -368.060262
where:
bonds (distance) C4'-P energy: -69.606
bonds (distance) P-C4' energy: -69.367
flat angles C4'-P-C4' energy: -74.349
flat angles P-C4'-P energy: -55.833
tors. eta vs tors. theta energy: -98.904
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: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1134.799189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.799189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.799189 (E_RNA)
where:
Base-Base interactions energy: -780.561
where: short stacking energy: -317.001
Base-Backbone interact. energy: -1.572
local terms energy: -352.666019
where:
bonds (distance) C4'-P energy: -63.924
bonds (distance) P-C4' energy: -64.615
flat angles C4'-P-C4' energy: -67.058
flat angles P-C4'-P energy: -49.199
tors. eta vs tors. theta energy: -107.871
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: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1061.467463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.467463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.467463 (E_RNA)
where:
Base-Base interactions energy: -725.820
where: short stacking energy: -310.740
Base-Backbone interact. energy: -1.864
local terms energy: -333.783977
where:
bonds (distance) C4'-P energy: -64.399
bonds (distance) P-C4' energy: -56.217
flat angles C4'-P-C4' energy: -70.067
flat angles P-C4'-P energy: -47.800
tors. eta vs tors. theta energy: -95.301
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: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -955.699099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.699099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.699099 (E_RNA)
where:
Base-Base interactions energy: -631.039
where: short stacking energy: -269.594
Base-Backbone interact. energy: -0.175
local terms energy: -324.485119
where:
bonds (distance) C4'-P energy: -62.178
bonds (distance) P-C4' energy: -63.683
flat angles C4'-P-C4' energy: -69.162
flat angles P-C4'-P energy: -48.961
tors. eta vs tors. theta energy: -80.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -824.302187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.302187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.302187 (E_RNA)
where:
Base-Base interactions energy: -547.945
where: short stacking energy: -235.170
Base-Backbone interact. energy: 0.749
local terms energy: -277.106541
where:
bonds (distance) C4'-P energy: -59.749
bonds (distance) P-C4' energy: -58.990
flat angles C4'-P-C4' energy: -64.842
flat angles P-C4'-P energy: -39.757
tors. eta vs tors. theta energy: -53.768
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: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -698.946119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.946119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.946119 (E_RNA)
where:
Base-Base interactions energy: -437.603
where: short stacking energy: -203.419
Base-Backbone interact. energy: -1.355
local terms energy: -259.988698
where:
bonds (distance) C4'-P energy: -48.085
bonds (distance) P-C4' energy: -67.729
flat angles C4'-P-C4' energy: -51.952
flat angles P-C4'-P energy: -35.974
tors. eta vs tors. theta energy: -56.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -646.861261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.861261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.861261 (E_RNA)
where:
Base-Base interactions energy: -399.062
where: short stacking energy: -167.059
Base-Backbone interact. energy: -3.434
local terms energy: -244.365492
where:
bonds (distance) C4'-P energy: -51.240
bonds (distance) P-C4' energy: -62.540
flat angles C4'-P-C4' energy: -54.587
flat angles P-C4'-P energy: -37.578
tors. eta vs tors. theta energy: -38.420
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: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -544.775553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.775553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.775553 (E_RNA)
where:
Base-Base interactions energy: -322.973
where: short stacking energy: -143.189
Base-Backbone interact. energy: -3.567
local terms energy: -218.235273
where:
bonds (distance) C4'-P energy: -57.542
bonds (distance) P-C4' energy: -62.528
flat angles C4'-P-C4' energy: -46.297
flat angles P-C4'-P energy: -23.520
tors. eta vs tors. theta energy: -28.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -406.327233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.327233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.327233 (E_RNA)
where:
Base-Base interactions energy: -209.456
where: short stacking energy: -96.562
Base-Backbone interact. energy: -1.377
local terms energy: -195.493549
where:
bonds (distance) C4'-P energy: -49.374
bonds (distance) P-C4' energy: -61.480
flat angles C4'-P-C4' energy: -45.995
flat angles P-C4'-P energy: -34.049
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -269.858594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.858594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.858594 (E_RNA)
where:
Base-Base interactions energy: -95.070
where: short stacking energy: -77.380
Base-Backbone interact. energy: -0.295
local terms energy: -174.493175
where:
bonds (distance) C4'-P energy: -55.206
bonds (distance) P-C4' energy: -53.596
flat angles C4'-P-C4' energy: -53.676
flat angles P-C4'-P energy: -21.633
tors. eta vs tors. theta energy: 9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1129.357895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.357895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.357895 (E_RNA)
where:
Base-Base interactions energy: -756.105
where: short stacking energy: -320.011
Base-Backbone interact. energy: -1.568
local terms energy: -371.685010
where:
bonds (distance) C4'-P energy: -59.932
bonds (distance) P-C4' energy: -80.538
flat angles C4'-P-C4' energy: -72.147
flat angles P-C4'-P energy: -56.537
tors. eta vs tors. theta energy: -102.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1145.420136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.420136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.420136 (E_RNA)
where:
Base-Base interactions energy: -770.401
where: short stacking energy: -297.972
Base-Backbone interact. energy: -1.080
local terms energy: -373.939583
where:
bonds (distance) C4'-P energy: -68.588
bonds (distance) P-C4' energy: -74.399
flat angles C4'-P-C4' energy: -77.062
flat angles P-C4'-P energy: -50.230
tors. eta vs tors. theta energy: -103.661
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: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1042.271061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.271061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.271061 (E_RNA)
where:
Base-Base interactions energy: -702.698
where: short stacking energy: -311.170
Base-Backbone interact. energy: 1.198
local terms energy: -340.771272
where:
bonds (distance) C4'-P energy: -62.620
bonds (distance) P-C4' energy: -65.479
flat angles C4'-P-C4' energy: -71.450
flat angles P-C4'-P energy: -43.284
tors. eta vs tors. theta energy: -97.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -971.755004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.755004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.755004 (E_RNA)
where:
Base-Base interactions energy: -642.548
where: short stacking energy: -286.593
Base-Backbone interact. energy: -3.091
local terms energy: -326.116175
where:
bonds (distance) C4'-P energy: -66.987
bonds (distance) P-C4' energy: -59.657
flat angles C4'-P-C4' energy: -68.696
flat angles P-C4'-P energy: -37.872
tors. eta vs tors. theta energy: -92.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -858.839917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.839917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.839917 (E_RNA)
where:
Base-Base interactions energy: -562.207
where: short stacking energy: -243.191
Base-Backbone interact. energy: 0.113
local terms energy: -296.948688
where:
bonds (distance) C4'-P energy: -51.844
bonds (distance) P-C4' energy: -63.040
flat angles C4'-P-C4' energy: -67.484
flat angles P-C4'-P energy: -45.221
tors. eta vs tors. theta energy: -69.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.203 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -758.547529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.547529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.547529 (E_RNA)
where:
Base-Base interactions energy: -489.710
where: short stacking energy: -229.332
Base-Backbone interact. energy: 0.016
local terms energy: -268.853512
where:
bonds (distance) C4'-P energy: -52.845
bonds (distance) P-C4' energy: -53.042
flat angles C4'-P-C4' energy: -68.204
flat angles P-C4'-P energy: -35.565
tors. eta vs tors. theta energy: -59.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -651.673401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.673401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.673401 (E_RNA)
where:
Base-Base interactions energy: -413.629
where: short stacking energy: -176.867
Base-Backbone interact. energy: 1.350
local terms energy: -239.394658
where:
bonds (distance) C4'-P energy: -61.805
bonds (distance) P-C4' energy: -61.759
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -30.298
tors. eta vs tors. theta energy: -28.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -492.938821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.938821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.938821 (E_RNA)
where:
Base-Base interactions energy: -275.023
where: short stacking energy: -136.803
Base-Backbone interact. energy: -2.508
local terms energy: -215.407424
where:
bonds (distance) C4'-P energy: -63.138
bonds (distance) P-C4' energy: -51.029
flat angles C4'-P-C4' energy: -60.287
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -395.080684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.080684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.080684 (E_RNA)
where:
Base-Base interactions energy: -195.830
where: short stacking energy: -104.991
Base-Backbone interact. energy: -0.147
local terms energy: -199.103551
where:
bonds (distance) C4'-P energy: -47.740
bonds (distance) P-C4' energy: -68.703
flat angles C4'-P-C4' energy: -54.293
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: 3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -277.550080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.550080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.550080 (E_RNA)
where:
Base-Base interactions energy: -98.722
where: short stacking energy: -79.720
Base-Backbone interact. energy: 1.466
local terms energy: -180.293727
where:
bonds (distance) C4'-P energy: -46.329
bonds (distance) P-C4' energy: -59.458
flat angles C4'-P-C4' energy: -58.549
flat angles P-C4'-P energy: -31.813
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: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1178.330741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.330741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.330741 (E_RNA)
where:
Base-Base interactions energy: -802.504
where: short stacking energy: -338.348
Base-Backbone interact. energy: 0.161
local terms energy: -375.988249
where:
bonds (distance) C4'-P energy: -67.192
bonds (distance) P-C4' energy: -68.780
flat angles C4'-P-C4' energy: -70.307
flat angles P-C4'-P energy: -58.716
tors. eta vs tors. theta energy: -110.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1125.314825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.314825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.314825 (E_RNA)
where:
Base-Base interactions energy: -746.648
where: short stacking energy: -311.737
Base-Backbone interact. energy: 1.243
local terms energy: -379.910339
where:
bonds (distance) C4'-P energy: -66.186
bonds (distance) P-C4' energy: -73.096
flat angles C4'-P-C4' energy: -77.538
flat angles P-C4'-P energy: -52.920
tors. eta vs tors. theta energy: -110.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1031.805149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.805149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.805149 (E_RNA)
where:
Base-Base interactions energy: -705.805
where: short stacking energy: -306.336
Base-Backbone interact. energy: -0.717
local terms energy: -325.283281
where:
bonds (distance) C4'-P energy: -69.112
bonds (distance) P-C4' energy: -55.434
flat angles C4'-P-C4' energy: -59.682
flat angles P-C4'-P energy: -48.759
tors. eta vs tors. theta energy: -92.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -982.641425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.641425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.641425 (E_RNA)
where:
Base-Base interactions energy: -665.078
where: short stacking energy: -294.433
Base-Backbone interact. energy: 1.074
local terms energy: -318.637990
where:
bonds (distance) C4'-P energy: -60.635
bonds (distance) P-C4' energy: -66.720
flat angles C4'-P-C4' energy: -72.171
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -86.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -832.445175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.445175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.445175 (E_RNA)
where:
Base-Base interactions energy: -555.223
where: short stacking energy: -221.148
Base-Backbone interact. energy: -3.634
local terms energy: -273.944075
where:
bonds (distance) C4'-P energy: -52.568
bonds (distance) P-C4' energy: -61.923
flat angles C4'-P-C4' energy: -51.482
flat angles P-C4'-P energy: -43.959
tors. eta vs tors. theta energy: -64.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.356 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -722.965574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.965574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.965574 (E_RNA)
where:
Base-Base interactions energy: -444.825
where: short stacking energy: -199.160
Base-Backbone interact. energy: -0.622
local terms energy: -277.517822
where:
bonds (distance) C4'-P energy: -57.329
bonds (distance) P-C4' energy: -60.456
flat angles C4'-P-C4' energy: -62.231
flat angles P-C4'-P energy: -51.354
tors. eta vs tors. theta energy: -46.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -643.185150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.185150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.185150 (E_RNA)
where:
Base-Base interactions energy: -392.042
where: short stacking energy: -179.886
Base-Backbone interact. energy: -4.149
local terms energy: -246.994714
where:
bonds (distance) C4'-P energy: -58.039
bonds (distance) P-C4' energy: -56.272
flat angles C4'-P-C4' energy: -63.246
flat angles P-C4'-P energy: -32.180
tors. eta vs tors. theta energy: -37.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -521.952370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.952370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.952370 (E_RNA)
where:
Base-Base interactions energy: -288.244
where: short stacking energy: -126.181
Base-Backbone interact. energy: -0.957
local terms energy: -232.751795
where:
bonds (distance) C4'-P energy: -52.041
bonds (distance) P-C4' energy: -68.068
flat angles C4'-P-C4' energy: -60.458
flat angles P-C4'-P energy: -35.529
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -380.525889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.525889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.525889 (E_RNA)
where:
Base-Base interactions energy: -188.924
where: short stacking energy: -122.974
Base-Backbone interact. energy: -2.011
local terms energy: -189.591079
where:
bonds (distance) C4'-P energy: -60.250
bonds (distance) P-C4' energy: -45.511
flat angles C4'-P-C4' energy: -47.533
flat angles P-C4'-P energy: -27.475
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: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -277.525975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.525975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.525975 (E_RNA)
where:
Base-Base interactions energy: -100.357
where: short stacking energy: -85.823
Base-Backbone interact. energy: -2.961
local terms energy: -174.207634
where:
bonds (distance) C4'-P energy: -39.851
bonds (distance) P-C4' energy: -62.159
flat angles C4'-P-C4' energy: -53.113
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1163.394213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.394213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.394213 (E_RNA)
where:
Base-Base interactions energy: -797.229
where: short stacking energy: -329.081
Base-Backbone interact. energy: -0.910
local terms energy: -365.255089
where:
bonds (distance) C4'-P energy: -56.003
bonds (distance) P-C4' energy: -72.610
flat angles C4'-P-C4' energy: -76.140
flat angles P-C4'-P energy: -50.466
tors. eta vs tors. theta energy: -110.036
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: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1092.728191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.728191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.728191 (E_RNA)
where:
Base-Base interactions energy: -717.187
where: short stacking energy: -311.514
Base-Backbone interact. energy: -1.017
local terms energy: -374.524713
where:
bonds (distance) C4'-P energy: -62.870
bonds (distance) P-C4' energy: -74.449
flat angles C4'-P-C4' energy: -77.987
flat angles P-C4'-P energy: -59.803
tors. eta vs tors. theta energy: -99.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1026.410623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.410623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.410623 (E_RNA)
where:
Base-Base interactions energy: -708.504
where: short stacking energy: -294.387
Base-Backbone interact. energy: -1.101
local terms energy: -316.805904
where:
bonds (distance) C4'-P energy: -52.950
bonds (distance) P-C4' energy: -64.577
flat angles C4'-P-C4' energy: -72.511
flat angles P-C4'-P energy: -43.398
tors. eta vs tors. theta energy: -83.370
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: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -955.162214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.162214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.162214 (E_RNA)
where:
Base-Base interactions energy: -630.813
where: short stacking energy: -255.705
Base-Backbone interact. energy: 0.372
local terms energy: -324.720843
where:
bonds (distance) C4'-P energy: -68.088
bonds (distance) P-C4' energy: -61.167
flat angles C4'-P-C4' energy: -67.496
flat angles P-C4'-P energy: -49.934
tors. eta vs tors. theta energy: -78.036
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -802.953759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.953759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.953759 (E_RNA)
where:
Base-Base interactions energy: -535.864
where: short stacking energy: -231.747
Base-Backbone interact. energy: 1.228
local terms energy: -268.318041
where:
bonds (distance) C4'-P energy: -49.644
bonds (distance) P-C4' energy: -64.542
flat angles C4'-P-C4' energy: -66.306
flat angles P-C4'-P energy: -36.986
tors. eta vs tors. theta energy: -50.840
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: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -668.538199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.538199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.538199 (E_RNA)
where:
Base-Base interactions energy: -417.697
where: short stacking energy: -189.431
Base-Backbone interact. energy: -2.339
local terms energy: -248.501721
where:
bonds (distance) C4'-P energy: -64.476
bonds (distance) P-C4' energy: -62.130
flat angles C4'-P-C4' energy: -60.055
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -38.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -674.673189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.673189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.673189 (E_RNA)
where:
Base-Base interactions energy: -417.419
where: short stacking energy: -215.166
Base-Backbone interact. energy: 0.016
local terms energy: -257.270100
where:
bonds (distance) C4'-P energy: -48.254
bonds (distance) P-C4' energy: -54.423
flat angles C4'-P-C4' energy: -63.373
flat angles P-C4'-P energy: -41.692
tors. eta vs tors. theta energy: -49.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -503.898380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.898380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.898380 (E_RNA)
where:
Base-Base interactions energy: -281.875
where: short stacking energy: -146.532
Base-Backbone interact. energy: -1.097
local terms energy: -220.926163
where:
bonds (distance) C4'-P energy: -43.519
bonds (distance) P-C4' energy: -60.845
flat angles C4'-P-C4' energy: -61.705
flat angles P-C4'-P energy: -33.133
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -391.732948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.732948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.732948 (E_RNA)
where:
Base-Base interactions energy: -177.990
where: short stacking energy: -85.996
Base-Backbone interact. energy: 0.268
local terms energy: -214.010734
where:
bonds (distance) C4'-P energy: -50.879
bonds (distance) P-C4' energy: -65.528
flat angles C4'-P-C4' energy: -54.586
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -310.299354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.299354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.299354 (E_RNA)
where:
Base-Base interactions energy: -123.584
where: short stacking energy: -99.971
Base-Backbone interact. energy: -1.121
local terms energy: -185.594460
where:
bonds (distance) C4'-P energy: -47.896
bonds (distance) P-C4' energy: -56.844
flat angles C4'-P-C4' energy: -54.905
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1180.878078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.878078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.878078 (E_RNA)
where:
Base-Base interactions energy: -804.173
where: short stacking energy: -332.213
Base-Backbone interact. energy: -1.246
local terms energy: -375.458989
where:
bonds (distance) C4'-P energy: -71.828
bonds (distance) P-C4' energy: -69.737
flat angles C4'-P-C4' energy: -70.008
flat angles P-C4'-P energy: -52.547
tors. eta vs tors. theta energy: -111.339
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: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1100.913599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.913599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.913599 (E_RNA)
where:
Base-Base interactions energy: -746.374
where: short stacking energy: -298.677
Base-Backbone interact. energy: -0.886
local terms energy: -353.653473
where:
bonds (distance) C4'-P energy: -68.260
bonds (distance) P-C4' energy: -63.278
flat angles C4'-P-C4' energy: -69.956
flat angles P-C4'-P energy: -52.626
tors. eta vs tors. theta energy: -99.533
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: 452
Temperature: 1.000000
Total energy: -1050.175047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.175047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.175047 (E_RNA)
where:
Base-Base interactions energy: -711.935
where: short stacking energy: -291.169
Base-Backbone interact. energy: -1.527
local terms energy: -336.712328
where:
bonds (distance) C4'-P energy: -62.750
bonds (distance) P-C4' energy: -68.579
flat angles C4'-P-C4' energy: -73.998
flat angles P-C4'-P energy: -41.163
tors. eta vs tors. theta energy: -90.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -968.906719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.906719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.906719 (E_RNA)
where:
Base-Base interactions energy: -658.969
where: short stacking energy: -254.311
Base-Backbone interact. energy: -1.389
local terms energy: -309.719715
where:
bonds (distance) C4'-P energy: -57.821
bonds (distance) P-C4' energy: -58.060
flat angles C4'-P-C4' energy: -65.320
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -84.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.171 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -819.331433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.331433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.331433 (E_RNA)
where:
Base-Base interactions energy: -515.910
where: short stacking energy: -228.508
Base-Backbone interact. energy: -0.532
local terms energy: -302.889963
where:
bonds (distance) C4'-P energy: -58.403
bonds (distance) P-C4' energy: -62.098
flat angles C4'-P-C4' energy: -70.514
flat angles P-C4'-P energy: -52.520
tors. eta vs tors. theta energy: -59.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -659.997109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.997109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.997109 (E_RNA)
where:
Base-Base interactions energy: -393.776
where: short stacking energy: -182.789
Base-Backbone interact. energy: 0.551
local terms energy: -266.772814
where:
bonds (distance) C4'-P energy: -54.869
bonds (distance) P-C4' energy: -64.758
flat angles C4'-P-C4' energy: -65.853
flat angles P-C4'-P energy: -41.764
tors. eta vs tors. theta energy: -39.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -597.711989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.711989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.711989 (E_RNA)
where:
Base-Base interactions energy: -367.546
where: short stacking energy: -160.939
Base-Backbone interact. energy: 3.595
local terms energy: -233.760384
where:
bonds (distance) C4'-P energy: -66.731
bonds (distance) P-C4' energy: -60.876
flat angles C4'-P-C4' energy: -50.852
flat angles P-C4'-P energy: -24.619
tors. eta vs tors. theta energy: -30.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -517.950237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.950237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.950237 (E_RNA)
where:
Base-Base interactions energy: -304.817
where: short stacking energy: -151.222
Base-Backbone interact. energy: -1.227
local terms energy: -211.905868
where:
bonds (distance) C4'-P energy: -53.418
bonds (distance) P-C4' energy: -47.622
flat angles C4'-P-C4' energy: -59.590
flat angles P-C4'-P energy: -36.457
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: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -387.108469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.108469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.108469 (E_RNA)
where:
Base-Base interactions energy: -174.563
where: short stacking energy: -88.046
Base-Backbone interact. energy: -0.241
local terms energy: -212.304963
where:
bonds (distance) C4'-P energy: -52.245
bonds (distance) P-C4' energy: -66.588
flat angles C4'-P-C4' energy: -53.483
flat angles P-C4'-P energy: -37.572
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -261.051468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.051468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.051468 (E_RNA)
where:
Base-Base interactions energy: -81.687
where: short stacking energy: -75.794
Base-Backbone interact. energy: 0.164
local terms energy: -179.527601
where:
bonds (distance) C4'-P energy: -57.650
bonds (distance) P-C4' energy: -68.215
flat angles C4'-P-C4' energy: -40.612
flat angles P-C4'-P energy: -21.226
tors. eta vs tors. theta energy: 8.175
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: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1169.632035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.632035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.632035 (E_RNA)
where:
Base-Base interactions energy: -800.491
where: short stacking energy: -324.826
Base-Backbone interact. energy: -1.560
local terms energy: -367.581157
where:
bonds (distance) C4'-P energy: -74.508
bonds (distance) P-C4' energy: -66.735
flat angles C4'-P-C4' energy: -78.833
flat angles P-C4'-P energy: -49.099
tors. eta vs tors. theta energy: -98.406
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: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1109.059210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.059210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.059210 (E_RNA)
where:
Base-Base interactions energy: -759.034
where: short stacking energy: -316.907
Base-Backbone interact. energy: -1.058
local terms energy: -348.967003
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -71.943
flat angles C4'-P-C4' energy: -70.943
flat angles P-C4'-P energy: -46.151
tors. eta vs tors. theta energy: -105.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1021.449109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.449109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.449109 (E_RNA)
where:
Base-Base interactions energy: -683.659
where: short stacking energy: -283.372
Base-Backbone interact. energy: 1.202
local terms energy: -338.992350
where:
bonds (distance) C4'-P energy: -64.709
bonds (distance) P-C4' energy: -64.627
flat angles C4'-P-C4' energy: -74.608
flat angles P-C4'-P energy: -46.973
tors. eta vs tors. theta energy: -88.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -954.971686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.971686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.971686 (E_RNA)
where:
Base-Base interactions energy: -659.950
where: short stacking energy: -268.763
Base-Backbone interact. energy: 0.111
local terms energy: -295.133342
where:
bonds (distance) C4'-P energy: -53.645
bonds (distance) P-C4' energy: -59.555
flat angles C4'-P-C4' energy: -63.041
flat angles P-C4'-P energy: -42.530
tors. eta vs tors. theta energy: -76.362
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: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -797.254237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.254237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.254237 (E_RNA)
where:
Base-Base interactions energy: -533.632
where: short stacking energy: -217.401
Base-Backbone interact. energy: 0.020
local terms energy: -265.403346
where:
bonds (distance) C4'-P energy: -52.363
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -69.778
flat angles P-C4'-P energy: -35.170
tors. eta vs tors. theta energy: -50.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.761 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -711.119360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.119360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.119360 (E_RNA)
where:
Base-Base interactions energy: -449.797
where: short stacking energy: -195.767
Base-Backbone interact. energy: 1.843
local terms energy: -263.165505
where:
bonds (distance) C4'-P energy: -57.283
bonds (distance) P-C4' energy: -70.479
flat angles C4'-P-C4' energy: -57.047
flat angles P-C4'-P energy: -40.452
tors. eta vs tors. theta energy: -37.903
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: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -666.951181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.951181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.951181 (E_RNA)
where:
Base-Base interactions energy: -416.019
where: short stacking energy: -183.503
Base-Backbone interact. energy: -0.851
local terms energy: -250.080852
where:
bonds (distance) C4'-P energy: -54.345
bonds (distance) P-C4' energy: -54.255
flat angles C4'-P-C4' energy: -64.902
flat angles P-C4'-P energy: -42.224
tors. eta vs tors. theta energy: -34.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -524.277915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.277915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.277915 (E_RNA)
where:
Base-Base interactions energy: -281.553
where: short stacking energy: -139.203
Base-Backbone interact. energy: 0.585
local terms energy: -243.309344
where:
bonds (distance) C4'-P energy: -47.142
bonds (distance) P-C4' energy: -72.370
flat angles C4'-P-C4' energy: -55.908
flat angles P-C4'-P energy: -38.526
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: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -387.619831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.619831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.619831 (E_RNA)
where:
Base-Base interactions energy: -210.691
where: short stacking energy: -107.409
Base-Backbone interact. energy: 0.752
local terms energy: -177.680438
where:
bonds (distance) C4'-P energy: -52.740
bonds (distance) P-C4' energy: -51.522
flat angles C4'-P-C4' energy: -41.916
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -258.127368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.127368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.127368 (E_RNA)
where:
Base-Base interactions energy: -78.330
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.141
local terms energy: -179.656618
where:
bonds (distance) C4'-P energy: -46.241
bonds (distance) P-C4' energy: -59.847
flat angles C4'-P-C4' energy: -43.022
flat angles P-C4'-P energy: -41.245
tors. eta vs tors. theta energy: 10.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1149.285934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.285934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.285934 (E_RNA)
where:
Base-Base interactions energy: -799.168
where: short stacking energy: -307.491
Base-Backbone interact. energy: -2.114
local terms energy: -348.004181
where:
bonds (distance) C4'-P energy: -69.326
bonds (distance) P-C4' energy: -66.231
flat angles C4'-P-C4' energy: -68.795
flat angles P-C4'-P energy: -46.365
tors. eta vs tors. theta energy: -97.287
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: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1113.355155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.355155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.355155 (E_RNA)
where:
Base-Base interactions energy: -747.811
where: short stacking energy: -310.605
Base-Backbone interact. energy: 0.577
local terms energy: -366.121720
where:
bonds (distance) C4'-P energy: -67.713
bonds (distance) P-C4' energy: -70.968
flat angles C4'-P-C4' energy: -71.601
flat angles P-C4'-P energy: -51.502
tors. eta vs tors. theta energy: -104.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1010.439115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.439115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.439115 (E_RNA)
where:
Base-Base interactions energy: -656.444
where: short stacking energy: -277.555
Base-Backbone interact. energy: -1.173
local terms energy: -352.822301
where:
bonds (distance) C4'-P energy: -61.230
bonds (distance) P-C4' energy: -73.837
flat angles C4'-P-C4' energy: -74.567
flat angles P-C4'-P energy: -55.123
tors. eta vs tors. theta energy: -88.066
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: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1009.004393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.004393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.004393 (E_RNA)
where:
Base-Base interactions energy: -677.743
where: short stacking energy: -292.646
Base-Backbone interact. energy: -1.164
local terms energy: -330.097629
where:
bonds (distance) C4'-P energy: -63.259
bonds (distance) P-C4' energy: -65.933
flat angles C4'-P-C4' energy: -63.250
flat angles P-C4'-P energy: -49.725
tors. eta vs tors. theta energy: -87.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -800.692806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.692806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.692806 (E_RNA)
where:
Base-Base interactions energy: -534.960
where: short stacking energy: -225.879
Base-Backbone interact. energy: -0.942
local terms energy: -264.790928
where:
bonds (distance) C4'-P energy: -66.035
bonds (distance) P-C4' energy: -58.672
flat angles C4'-P-C4' energy: -59.910
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: -48.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -695.173025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.173025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.173025 (E_RNA)
where:
Base-Base interactions energy: -433.217
where: short stacking energy: -209.226
Base-Backbone interact. energy: 0.083
local terms energy: -262.038840
where:
bonds (distance) C4'-P energy: -64.892
bonds (distance) P-C4' energy: -71.048
flat angles C4'-P-C4' energy: -48.697
flat angles P-C4'-P energy: -34.499
tors. eta vs tors. theta energy: -42.902
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: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -670.837274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.837274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.837274 (E_RNA)
where:
Base-Base interactions energy: -429.016
where: short stacking energy: -197.658
Base-Backbone interact. energy: 1.044
local terms energy: -242.866084
where:
bonds (distance) C4'-P energy: -48.293
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -61.862
flat angles P-C4'-P energy: -36.421
tors. eta vs tors. theta energy: -44.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -514.147148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.147148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.147148 (E_RNA)
where:
Base-Base interactions energy: -264.505
where: short stacking energy: -146.246
Base-Backbone interact. energy: -1.075
local terms energy: -248.567297
where:
bonds (distance) C4'-P energy: -63.774
bonds (distance) P-C4' energy: -63.391
flat angles C4'-P-C4' energy: -56.904
flat angles P-C4'-P energy: -41.420
tors. eta vs tors. theta energy: -23.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -401.277416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.277416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.277416 (E_RNA)
where:
Base-Base interactions energy: -180.492
where: short stacking energy: -92.581
Base-Backbone interact. energy: -3.010
local terms energy: -217.774692
where:
bonds (distance) C4'-P energy: -58.201
bonds (distance) P-C4' energy: -64.359
flat angles C4'-P-C4' energy: -54.989
flat angles P-C4'-P energy: -33.688
tors. eta vs tors. theta energy: -6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -251.411525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.411525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.411525 (E_RNA)
where:
Base-Base interactions energy: -70.529
where: short stacking energy: -69.676
Base-Backbone interact. energy: 2.757
local terms energy: -183.639604
where:
bonds (distance) C4'-P energy: -61.351
bonds (distance) P-C4' energy: -66.426
flat angles C4'-P-C4' energy: -46.126
flat angles P-C4'-P energy: -26.915
tors. eta vs tors. theta energy: 17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1153.180833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.180833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.180833 (E_RNA)
where:
Base-Base interactions energy: -797.869
where: short stacking energy: -309.342
Base-Backbone interact. energy: -1.260
local terms energy: -354.052327
where:
bonds (distance) C4'-P energy: -61.644
bonds (distance) P-C4' energy: -67.736
flat angles C4'-P-C4' energy: -72.693
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -103.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1115.552470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.552470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.552470 (E_RNA)
where:
Base-Base interactions energy: -752.688
where: short stacking energy: -329.123
Base-Backbone interact. energy: -2.012
local terms energy: -360.852390
where:
bonds (distance) C4'-P energy: -68.094
bonds (distance) P-C4' energy: -66.050
flat angles C4'-P-C4' energy: -74.057
flat angles P-C4'-P energy: -49.611
tors. eta vs tors. theta energy: -103.039
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: 455
Temperature: 1.000000
Total energy: -993.339529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.339529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.339529 (E_RNA)
where:
Base-Base interactions energy: -652.065
where: short stacking energy: -276.612
Base-Backbone interact. energy: -1.728
local terms energy: -339.546637
where:
bonds (distance) C4'-P energy: -67.402
bonds (distance) P-C4' energy: -62.474
flat angles C4'-P-C4' energy: -65.984
flat angles P-C4'-P energy: -55.320
tors. eta vs tors. theta energy: -88.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -993.265435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.265435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.265435 (E_RNA)
where:
Base-Base interactions energy: -671.126
where: short stacking energy: -270.942
Base-Backbone interact. energy: -0.237
local terms energy: -321.901889
where:
bonds (distance) C4'-P energy: -63.783
bonds (distance) P-C4' energy: -72.186
flat angles C4'-P-C4' energy: -64.899
flat angles P-C4'-P energy: -41.496
tors. eta vs tors. theta energy: -79.539
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: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -814.602405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.602405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.602405 (E_RNA)
where:
Base-Base interactions energy: -542.645
where: short stacking energy: -230.324
Base-Backbone interact. energy: -1.254
local terms energy: -270.703804
where:
bonds (distance) C4'-P energy: -42.923
bonds (distance) P-C4' energy: -71.650
flat angles C4'-P-C4' energy: -64.738
flat angles P-C4'-P energy: -39.509
tors. eta vs tors. theta energy: -51.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -701.630827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.630827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.630827 (E_RNA)
where:
Base-Base interactions energy: -447.712
where: short stacking energy: -212.575
Base-Backbone interact. energy: -1.191
local terms energy: -252.728300
where:
bonds (distance) C4'-P energy: -54.408
bonds (distance) P-C4' energy: -53.066
flat angles C4'-P-C4' energy: -55.622
flat angles P-C4'-P energy: -41.643
tors. eta vs tors. theta energy: -47.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -652.123827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.123827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.123827 (E_RNA)
where:
Base-Base interactions energy: -401.873
where: short stacking energy: -184.114
Base-Backbone interact. energy: 0.523
local terms energy: -250.773408
where:
bonds (distance) C4'-P energy: -65.044
bonds (distance) P-C4' energy: -54.769
flat angles C4'-P-C4' energy: -54.879
flat angles P-C4'-P energy: -38.912
tors. eta vs tors. theta energy: -37.169
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: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -439.678611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.678611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.678611 (E_RNA)
where:
Base-Base interactions energy: -250.777
where: short stacking energy: -152.997
Base-Backbone interact. energy: 1.405
local terms energy: -190.307052
where:
bonds (distance) C4'-P energy: -47.394
bonds (distance) P-C4' energy: -45.860
flat angles C4'-P-C4' energy: -44.570
flat angles P-C4'-P energy: -35.679
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -505.825389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.825389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.825389 (E_RNA)
where:
Base-Base interactions energy: -279.778
where: short stacking energy: -123.977
Base-Backbone interact. energy: -0.724
local terms energy: -225.322788
where:
bonds (distance) C4'-P energy: -58.546
bonds (distance) P-C4' energy: -59.139
flat angles C4'-P-C4' energy: -49.491
flat angles P-C4'-P energy: -33.215
tors. eta vs tors. theta energy: -24.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -292.746306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.746306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.746306 (E_RNA)
where:
Base-Base interactions energy: -98.879
where: short stacking energy: -94.252
Base-Backbone interact. energy: 0.397
local terms energy: -194.264256
where:
bonds (distance) C4'-P energy: -48.534
bonds (distance) P-C4' energy: -42.844
flat angles C4'-P-C4' energy: -57.076
flat angles P-C4'-P energy: -32.788
tors. eta vs tors. theta energy: -13.022
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: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1182.507446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.507446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.507446 (E_RNA)
where:
Base-Base interactions energy: -820.562
where: short stacking energy: -334.892
Base-Backbone interact. energy: 1.012
local terms energy: -362.957735
where:
bonds (distance) C4'-P energy: -64.374
bonds (distance) P-C4' energy: -66.037
flat angles C4'-P-C4' energy: -71.436
flat angles P-C4'-P energy: -52.637
tors. eta vs tors. theta energy: -108.474
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: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1085.138179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.138179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.138179 (E_RNA)
where:
Base-Base interactions energy: -735.673
where: short stacking energy: -306.459
Base-Backbone interact. energy: -1.541
local terms energy: -347.986382
where:
bonds (distance) C4'-P energy: -66.345
bonds (distance) P-C4' energy: -64.702
flat angles C4'-P-C4' energy: -73.191
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -95.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.062 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1002.544019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.544019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.544019 (E_RNA)
where:
Base-Base interactions energy: -660.970
where: short stacking energy: -268.483
Base-Backbone interact. energy: -2.127
local terms energy: -339.447044
where:
bonds (distance) C4'-P energy: -65.200
bonds (distance) P-C4' energy: -70.555
flat angles C4'-P-C4' energy: -66.191
flat angles P-C4'-P energy: -54.332
tors. eta vs tors. theta energy: -83.168
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: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1019.196658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.196658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.196658 (E_RNA)
where:
Base-Base interactions energy: -710.833
where: short stacking energy: -296.421
Base-Backbone interact. energy: -1.293
local terms energy: -307.070282
where:
bonds (distance) C4'-P energy: -61.734
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -61.351
flat angles P-C4'-P energy: -48.238
tors. eta vs tors. theta energy: -82.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -799.031372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.031372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.031372 (E_RNA)
where:
Base-Base interactions energy: -519.513
where: short stacking energy: -245.330
Base-Backbone interact. energy: -1.821
local terms energy: -278.612620
where:
bonds (distance) C4'-P energy: -57.091
bonds (distance) P-C4' energy: -71.801
flat angles C4'-P-C4' energy: -59.087
flat angles P-C4'-P energy: -38.528
tors. eta vs tors. theta energy: -52.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.915 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -708.089716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.089716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.089716 (E_RNA)
where:
Base-Base interactions energy: -449.272
where: short stacking energy: -200.524
Base-Backbone interact. energy: 1.363
local terms energy: -260.180941
where:
bonds (distance) C4'-P energy: -50.906
bonds (distance) P-C4' energy: -63.715
flat angles C4'-P-C4' energy: -65.970
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -41.568
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: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -680.650306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.650306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.650306 (E_RNA)
where:
Base-Base interactions energy: -433.508
where: short stacking energy: -170.242
Base-Backbone interact. energy: -0.436
local terms energy: -246.707075
where:
bonds (distance) C4'-P energy: -62.079
bonds (distance) P-C4' energy: -53.884
flat angles C4'-P-C4' energy: -61.210
flat angles P-C4'-P energy: -32.531
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: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -426.642119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.642119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.642119 (E_RNA)
where:
Base-Base interactions energy: -223.559
where: short stacking energy: -133.977
Base-Backbone interact. energy: -0.352
local terms energy: -202.731097
where:
bonds (distance) C4'-P energy: -49.411
bonds (distance) P-C4' energy: -63.673
flat angles C4'-P-C4' energy: -30.269
flat angles P-C4'-P energy: -42.311
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -470.322074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.322074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.322074 (E_RNA)
where:
Base-Base interactions energy: -246.953
where: short stacking energy: -112.210
Base-Backbone interact. energy: -0.258
local terms energy: -223.111532
where:
bonds (distance) C4'-P energy: -64.159
bonds (distance) P-C4' energy: -60.443
flat angles C4'-P-C4' energy: -55.712
flat angles P-C4'-P energy: -31.217
tors. eta vs tors. theta energy: -11.581
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: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -271.405461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.405461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.405461 (E_RNA)
where:
Base-Base interactions energy: -97.187
where: short stacking energy: -72.152
Base-Backbone interact. energy: 2.586
local terms energy: -176.804365
where:
bonds (distance) C4'-P energy: -51.717
bonds (distance) P-C4' energy: -63.320
flat angles C4'-P-C4' energy: -53.765
flat angles P-C4'-P energy: -31.265
tors. eta vs tors. theta energy: 23.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1175.139786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.139786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.139786 (E_RNA)
where:
Base-Base interactions energy: -800.848
where: short stacking energy: -328.656
Base-Backbone interact. energy: 0.544
local terms energy: -374.835662
where:
bonds (distance) C4'-P energy: -68.028
bonds (distance) P-C4' energy: -67.016
flat angles C4'-P-C4' energy: -74.273
flat angles P-C4'-P energy: -60.924
tors. eta vs tors. theta energy: -104.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1096.800497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.800497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.800497 (E_RNA)
where:
Base-Base interactions energy: -742.938
where: short stacking energy: -314.907
Base-Backbone interact. energy: -0.341
local terms energy: -353.521274
where:
bonds (distance) C4'-P energy: -70.032
bonds (distance) P-C4' energy: -63.966
flat angles C4'-P-C4' energy: -66.491
flat angles P-C4'-P energy: -48.430
tors. eta vs tors. theta energy: -104.603
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: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -998.463876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.463876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.463876 (E_RNA)
where:
Base-Base interactions energy: -654.791
where: short stacking energy: -272.086
Base-Backbone interact. energy: -1.365
local terms energy: -342.865205
where:
bonds (distance) C4'-P energy: -65.588
bonds (distance) P-C4' energy: -70.771
flat angles C4'-P-C4' energy: -72.697
flat angles P-C4'-P energy: -50.476
tors. eta vs tors. theta energy: -83.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.557 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -978.219582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.219582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.219582 (E_RNA)
where:
Base-Base interactions energy: -633.660
where: short stacking energy: -264.073
Base-Backbone interact. energy: 0.873
local terms energy: -345.432879
where:
bonds (distance) C4'-P energy: -70.199
bonds (distance) P-C4' energy: -72.319
flat angles C4'-P-C4' energy: -70.196
flat angles P-C4'-P energy: -52.317
tors. eta vs tors. theta energy: -80.401
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: 457
Temperature: 1.100000
Total energy: -800.900046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.900046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.900046 (E_RNA)
where:
Base-Base interactions energy: -510.768
where: short stacking energy: -243.162
Base-Backbone interact. energy: -2.839
local terms energy: -287.292987
where:
bonds (distance) C4'-P energy: -55.298
bonds (distance) P-C4' energy: -56.293
flat angles C4'-P-C4' energy: -69.060
flat angles P-C4'-P energy: -41.344
tors. eta vs tors. theta energy: -65.298
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: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -748.932530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.932530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.932530 (E_RNA)
where:
Base-Base interactions energy: -478.062
where: short stacking energy: -222.514
Base-Backbone interact. energy: -0.760
local terms energy: -270.110194
where:
bonds (distance) C4'-P energy: -63.609
bonds (distance) P-C4' energy: -56.671
flat angles C4'-P-C4' energy: -60.323
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -50.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -637.596435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.596435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.596435 (E_RNA)
where:
Base-Base interactions energy: -386.555
where: short stacking energy: -169.760
Base-Backbone interact. energy: -0.801
local terms energy: -250.240652
where:
bonds (distance) C4'-P energy: -53.202
bonds (distance) P-C4' energy: -67.904
flat angles C4'-P-C4' energy: -57.735
flat angles P-C4'-P energy: -38.231
tors. eta vs tors. theta energy: -33.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -484.059037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.059037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.059037 (E_RNA)
where:
Base-Base interactions energy: -273.784
where: short stacking energy: -135.212
Base-Backbone interact. energy: -0.875
local terms energy: -209.400410
where:
bonds (distance) C4'-P energy: -44.509
bonds (distance) P-C4' energy: -56.831
flat angles C4'-P-C4' energy: -58.434
flat angles P-C4'-P energy: -30.182
tors. eta vs tors. theta energy: -19.445
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: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -444.142103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.142103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.142103 (E_RNA)
where:
Base-Base interactions energy: -243.912
where: short stacking energy: -125.770
Base-Backbone interact. energy: -0.144
local terms energy: -200.085949
where:
bonds (distance) C4'-P energy: -53.962
bonds (distance) P-C4' energy: -59.904
flat angles C4'-P-C4' energy: -50.228
flat angles P-C4'-P energy: -27.178
tors. eta vs tors. theta energy: -8.814
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: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -265.721401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.721401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.721401 (E_RNA)
where:
Base-Base interactions energy: -98.139
where: short stacking energy: -75.889
Base-Backbone interact. energy: 5.790
local terms energy: -173.928405
where:
bonds (distance) C4'-P energy: -57.159
bonds (distance) P-C4' energy: -44.210
flat angles C4'-P-C4' energy: -48.332
flat angles P-C4'-P energy: -25.065
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.557 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1180.442005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.442005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.442005 (E_RNA)
where:
Base-Base interactions energy: -812.387
where: short stacking energy: -312.962
Base-Backbone interact. energy: -1.420
local terms energy: -366.635436
where:
bonds (distance) C4'-P energy: -69.784
bonds (distance) P-C4' energy: -68.256
flat angles C4'-P-C4' energy: -71.969
flat angles P-C4'-P energy: -53.570
tors. eta vs tors. theta energy: -103.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1092.922525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.922525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.922525 (E_RNA)
where:
Base-Base interactions energy: -737.978
where: short stacking energy: -310.992
Base-Backbone interact. energy: -1.086
local terms energy: -353.858566
where:
bonds (distance) C4'-P energy: -68.599
bonds (distance) P-C4' energy: -55.768
flat angles C4'-P-C4' energy: -73.372
flat angles P-C4'-P energy: -55.736
tors. eta vs tors. theta energy: -100.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -982.077116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.077116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.077116 (E_RNA)
where:
Base-Base interactions energy: -664.010
where: short stacking energy: -285.305
Base-Backbone interact. energy: 8.622
local terms energy: -326.688878
where:
bonds (distance) C4'-P energy: -60.489
bonds (distance) P-C4' energy: -59.070
flat angles C4'-P-C4' energy: -72.267
flat angles P-C4'-P energy: -50.474
tors. eta vs tors. theta energy: -84.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -989.779924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.779924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.779924 (E_RNA)
where:
Base-Base interactions energy: -674.207
where: short stacking energy: -291.937
Base-Backbone interact. energy: -0.154
local terms energy: -315.418413
where:
bonds (distance) C4'-P energy: -50.370
bonds (distance) P-C4' energy: -58.659
flat angles C4'-P-C4' energy: -70.932
flat angles P-C4'-P energy: -46.777
tors. eta vs tors. theta energy: -88.681
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: 5, replica: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -847.953339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.953339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.953339 (E_RNA)
where:
Base-Base interactions energy: -571.524
where: short stacking energy: -234.478
Base-Backbone interact. energy: -2.151
local terms energy: -274.278746
where:
bonds (distance) C4'-P energy: -54.024
bonds (distance) P-C4' energy: -60.366
flat angles C4'-P-C4' energy: -59.793
flat angles P-C4'-P energy: -37.537
tors. eta vs tors. theta energy: -62.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -792.089284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.089284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.089284 (E_RNA)
where:
Base-Base interactions energy: -517.302
where: short stacking energy: -216.206
Base-Backbone interact. energy: -1.334
local terms energy: -273.452916
where:
bonds (distance) C4'-P energy: -54.172
bonds (distance) P-C4' energy: -53.117
flat angles C4'-P-C4' energy: -59.169
flat angles P-C4'-P energy: -35.773
tors. eta vs tors. theta energy: -71.222
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: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -638.718643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.718643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.718643 (E_RNA)
where:
Base-Base interactions energy: -397.981
where: short stacking energy: -190.481
Base-Backbone interact. energy: -1.127
local terms energy: -239.610388
where:
bonds (distance) C4'-P energy: -45.366
bonds (distance) P-C4' energy: -59.846
flat angles C4'-P-C4' energy: -58.544
flat angles P-C4'-P energy: -37.236
tors. eta vs tors. theta energy: -38.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -484.540086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.540086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.540086 (E_RNA)
where:
Base-Base interactions energy: -261.336
where: short stacking energy: -123.612
Base-Backbone interact. energy: -0.302
local terms energy: -222.902211
where:
bonds (distance) C4'-P energy: -55.213
bonds (distance) P-C4' energy: -70.133
flat angles C4'-P-C4' energy: -54.284
flat angles P-C4'-P energy: -39.051
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -461.177056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.177056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.177056 (E_RNA)
where:
Base-Base interactions energy: -250.878
where: short stacking energy: -127.461
Base-Backbone interact. energy: 0.891
local terms energy: -211.189828
where:
bonds (distance) C4'-P energy: -47.693
bonds (distance) P-C4' energy: -59.450
flat angles C4'-P-C4' energy: -59.797
flat angles P-C4'-P energy: -35.501
tors. eta vs tors. theta energy: -8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -273.375017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.375017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.375017 (E_RNA)
where:
Base-Base interactions energy: -98.152
where: short stacking energy: -84.326
Base-Backbone interact. energy: 1.632
local terms energy: -176.855379
where:
bonds (distance) C4'-P energy: -54.207
bonds (distance) P-C4' energy: -53.866
flat angles C4'-P-C4' energy: -55.682
flat angles P-C4'-P energy: -27.827
tors. eta vs tors. theta energy: 14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1180.807511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.807511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.807511 (E_RNA)
where:
Base-Base interactions energy: -818.298
where: short stacking energy: -325.477
Base-Backbone interact. energy: -0.161
local terms energy: -362.348461
where:
bonds (distance) C4'-P energy: -59.214
bonds (distance) P-C4' energy: -72.602
flat angles C4'-P-C4' energy: -68.992
flat angles P-C4'-P energy: -56.708
tors. eta vs tors. theta energy: -104.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1083.399652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.399652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.399652 (E_RNA)
where:
Base-Base interactions energy: -741.422
where: short stacking energy: -317.018
Base-Backbone interact. energy: -0.794
local terms energy: -341.184094
where:
bonds (distance) C4'-P energy: -64.226
bonds (distance) P-C4' energy: -66.623
flat angles C4'-P-C4' energy: -72.779
flat angles P-C4'-P energy: -38.154
tors. eta vs tors. theta energy: -99.402
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: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -978.611187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.611187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.611187 (E_RNA)
where:
Base-Base interactions energy: -650.978
where: short stacking energy: -266.690
Base-Backbone interact. energy: -0.659
local terms energy: -327.033702
where:
bonds (distance) C4'-P energy: -70.924
bonds (distance) P-C4' energy: -63.783
flat angles C4'-P-C4' energy: -72.595
flat angles P-C4'-P energy: -44.358
tors. eta vs tors. theta energy: -75.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.060 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1006.271528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.271528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.271528 (E_RNA)
where:
Base-Base interactions energy: -678.777
where: short stacking energy: -282.626
Base-Backbone interact. energy: -0.812
local terms energy: -326.683079
where:
bonds (distance) C4'-P energy: -67.170
bonds (distance) P-C4' energy: -65.041
flat angles C4'-P-C4' energy: -63.739
flat angles P-C4'-P energy: -49.253
tors. eta vs tors. theta energy: -81.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -836.408598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.408598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.408598 (E_RNA)
where:
Base-Base interactions energy: -546.238
where: short stacking energy: -242.749
Base-Backbone interact. energy: -1.563
local terms energy: -291.660931
where:
bonds (distance) C4'-P energy: -56.452
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -71.690
flat angles P-C4'-P energy: -38.541
tors. eta vs tors. theta energy: -60.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.054 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -778.179883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.179883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.179883 (E_RNA)
where:
Base-Base interactions energy: -509.460
where: short stacking energy: -229.783
Base-Backbone interact. energy: -1.128
local terms energy: -267.591478
where:
bonds (distance) C4'-P energy: -49.137
bonds (distance) P-C4' energy: -55.808
flat angles C4'-P-C4' energy: -62.837
flat angles P-C4'-P energy: -45.505
tors. eta vs tors. theta energy: -54.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -648.137985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.137985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.137985 (E_RNA)
where:
Base-Base interactions energy: -406.865
where: short stacking energy: -187.465
Base-Backbone interact. energy: -0.628
local terms energy: -240.644740
where:
bonds (distance) C4'-P energy: -55.448
bonds (distance) P-C4' energy: -57.251
flat angles C4'-P-C4' energy: -52.579
flat angles P-C4'-P energy: -44.730
tors. eta vs tors. theta energy: -30.637
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: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -483.899438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.899438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.899438 (E_RNA)
where:
Base-Base interactions energy: -268.806
where: short stacking energy: -142.098
Base-Backbone interact. energy: 0.099
local terms energy: -215.191800
where:
bonds (distance) C4'-P energy: -57.197
bonds (distance) P-C4' energy: -67.772
flat angles C4'-P-C4' energy: -44.279
flat angles P-C4'-P energy: -29.261
tors. eta vs tors. theta energy: -16.683
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: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -442.926776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.926776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.926776 (E_RNA)
where:
Base-Base interactions energy: -261.952
where: short stacking energy: -105.648
Base-Backbone interact. energy: -0.411
local terms energy: -180.564393
where:
bonds (distance) C4'-P energy: -63.812
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -40.144
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -256.977682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.977682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.977682 (E_RNA)
where:
Base-Base interactions energy: -98.265
where: short stacking energy: -77.956
Base-Backbone interact. energy: 4.216
local terms energy: -162.928107
where:
bonds (distance) C4'-P energy: -48.971
bonds (distance) P-C4' energy: -60.338
flat angles C4'-P-C4' energy: -39.327
flat angles P-C4'-P energy: -25.963
tors. eta vs tors. theta energy: 11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1162.323063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.323063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.323063 (E_RNA)
where:
Base-Base interactions energy: -782.735
where: short stacking energy: -313.735
Base-Backbone interact. energy: -2.166
local terms energy: -377.422112
where:
bonds (distance) C4'-P energy: -75.296
bonds (distance) P-C4' energy: -71.867
flat angles C4'-P-C4' energy: -76.323
flat angles P-C4'-P energy: -51.109
tors. eta vs tors. theta energy: -102.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1097.511791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.511791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.511791 (E_RNA)
where:
Base-Base interactions energy: -735.026
where: short stacking energy: -314.805
Base-Backbone interact. energy: 0.801
local terms energy: -364.175461
where:
bonds (distance) C4'-P energy: -66.872
bonds (distance) P-C4' energy: -68.469
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -50.232
tors. eta vs tors. theta energy: -105.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.888 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1022.660271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.660271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.660271 (E_RNA)
where:
Base-Base interactions energy: -689.390
where: short stacking energy: -273.306
Base-Backbone interact. energy: -0.453
local terms energy: -332.816959
where:
bonds (distance) C4'-P energy: -69.187
bonds (distance) P-C4' energy: -64.665
flat angles C4'-P-C4' energy: -69.231
flat angles P-C4'-P energy: -46.515
tors. eta vs tors. theta energy: -83.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -981.479946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.479946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.479946 (E_RNA)
where:
Base-Base interactions energy: -671.296
where: short stacking energy: -285.036
Base-Backbone interact. energy: -0.964
local terms energy: -309.220485
where:
bonds (distance) C4'-P energy: -54.530
bonds (distance) P-C4' energy: -67.814
flat angles C4'-P-C4' energy: -59.560
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: -86.699
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: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -833.246361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.246361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.246361 (E_RNA)
where:
Base-Base interactions energy: -549.331
where: short stacking energy: -236.921
Base-Backbone interact. energy: -0.610
local terms energy: -283.305583
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -68.482
flat angles C4'-P-C4' energy: -59.016
flat angles P-C4'-P energy: -41.783
tors. eta vs tors. theta energy: -63.721
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: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -733.183335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.183335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.183335 (E_RNA)
where:
Base-Base interactions energy: -470.848
where: short stacking energy: -215.397
Base-Backbone interact. energy: -0.646
local terms energy: -261.689106
where:
bonds (distance) C4'-P energy: -53.028
bonds (distance) P-C4' energy: -67.200
flat angles C4'-P-C4' energy: -59.024
flat angles P-C4'-P energy: -34.044
tors. eta vs tors. theta energy: -48.392
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: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -617.656123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.656123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.656123 (E_RNA)
where:
Base-Base interactions energy: -401.324
where: short stacking energy: -180.121
Base-Backbone interact. energy: -0.889
local terms energy: -215.442761
where:
bonds (distance) C4'-P energy: -42.546
bonds (distance) P-C4' energy: -57.991
flat angles C4'-P-C4' energy: -54.759
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -28.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -529.041335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.041335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.041335 (E_RNA)
where:
Base-Base interactions energy: -291.489
where: short stacking energy: -155.871
Base-Backbone interact. energy: -1.398
local terms energy: -236.154310
where:
bonds (distance) C4'-P energy: -52.905
bonds (distance) P-C4' energy: -55.161
flat angles C4'-P-C4' energy: -66.999
flat angles P-C4'-P energy: -36.475
tors. eta vs tors. theta energy: -24.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -396.599386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.599386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.599386 (E_RNA)
where:
Base-Base interactions energy: -198.021
where: short stacking energy: -103.799
Base-Backbone interact. energy: 3.633
local terms energy: -202.249299
where:
bonds (distance) C4'-P energy: -54.914
bonds (distance) P-C4' energy: -63.077
flat angles C4'-P-C4' energy: -45.282
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.038 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -279.384636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.384636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.384636 (E_RNA)
where:
Base-Base interactions energy: -76.823
where: short stacking energy: -76.553
Base-Backbone interact. energy: -0.682
local terms energy: -201.879246
where:
bonds (distance) C4'-P energy: -67.330
bonds (distance) P-C4' energy: -69.902
flat angles C4'-P-C4' energy: -47.550
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: 2.553
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: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1181.669844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.669844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.669844 (E_RNA)
where:
Base-Base interactions energy: -802.538
where: short stacking energy: -315.341
Base-Backbone interact. energy: -1.103
local terms energy: -378.028638
where:
bonds (distance) C4'-P energy: -69.589
bonds (distance) P-C4' energy: -75.395
flat angles C4'-P-C4' energy: -75.481
flat angles P-C4'-P energy: -53.425
tors. eta vs tors. theta energy: -104.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1125.029030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.029030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.029030 (E_RNA)
where:
Base-Base interactions energy: -766.721
where: short stacking energy: -325.815
Base-Backbone interact. energy: -0.717
local terms energy: -357.718777
where:
bonds (distance) C4'-P energy: -67.507
bonds (distance) P-C4' energy: -67.357
flat angles C4'-P-C4' energy: -65.712
flat angles P-C4'-P energy: -52.107
tors. eta vs tors. theta energy: -105.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.127 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1009.039675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.039675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.039675 (E_RNA)
where:
Base-Base interactions energy: -699.302
where: short stacking energy: -288.225
Base-Backbone interact. energy: -1.435
local terms energy: -308.303025
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -72.258
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -76.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -988.359710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.359710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.359710 (E_RNA)
where:
Base-Base interactions energy: -667.577
where: short stacking energy: -277.274
Base-Backbone interact. energy: -0.954
local terms energy: -319.828655
where:
bonds (distance) C4'-P energy: -65.011
bonds (distance) P-C4' energy: -59.215
flat angles C4'-P-C4' energy: -73.909
flat angles P-C4'-P energy: -39.991
tors. eta vs tors. theta energy: -81.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -831.839954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.839954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.839954 (E_RNA)
where:
Base-Base interactions energy: -546.395
where: short stacking energy: -248.614
Base-Backbone interact. energy: -1.542
local terms energy: -283.941341
where:
bonds (distance) C4'-P energy: -63.163
bonds (distance) P-C4' energy: -59.676
flat angles C4'-P-C4' energy: -53.232
flat angles P-C4'-P energy: -39.834
tors. eta vs tors. theta energy: -68.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.039 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -770.805361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.805361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.805361 (E_RNA)
where:
Base-Base interactions energy: -501.470
where: short stacking energy: -211.851
Base-Backbone interact. energy: -1.808
local terms energy: -267.527287
where:
bonds (distance) C4'-P energy: -65.057
bonds (distance) P-C4' energy: -53.402
flat angles C4'-P-C4' energy: -65.542
flat angles P-C4'-P energy: -35.921
tors. eta vs tors. theta energy: -47.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -655.559801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.559801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.559801 (E_RNA)
where:
Base-Base interactions energy: -418.112
where: short stacking energy: -188.241
Base-Backbone interact. energy: 0.878
local terms energy: -238.325990
where:
bonds (distance) C4'-P energy: -48.730
bonds (distance) P-C4' energy: -56.374
flat angles C4'-P-C4' energy: -61.696
flat angles P-C4'-P energy: -29.613
tors. eta vs tors. theta energy: -41.914
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: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -432.751861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.751861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.751861 (E_RNA)
where:
Base-Base interactions energy: -220.775
where: short stacking energy: -113.847
Base-Backbone interact. energy: -3.103
local terms energy: -208.873848
where:
bonds (distance) C4'-P energy: -54.490
bonds (distance) P-C4' energy: -66.081
flat angles C4'-P-C4' energy: -56.616
flat angles P-C4'-P energy: -34.373
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: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -474.173590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.173590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.173590 (E_RNA)
where:
Base-Base interactions energy: -272.600
where: short stacking energy: -123.360
Base-Backbone interact. energy: -3.157
local terms energy: -201.318502
where:
bonds (distance) C4'-P energy: -43.959
bonds (distance) P-C4' energy: -59.688
flat angles C4'-P-C4' energy: -51.334
flat angles P-C4'-P energy: -34.422
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: 2.903 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -265.653624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.653624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.653624 (E_RNA)
where:
Base-Base interactions energy: -89.894
where: short stacking energy: -74.803
Base-Backbone interact. energy: -2.270
local terms energy: -173.489221
where:
bonds (distance) C4'-P energy: -54.993
bonds (distance) P-C4' energy: -53.573
flat angles C4'-P-C4' energy: -42.993
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: 10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1180.514347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.514347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.514347 (E_RNA)
where:
Base-Base interactions energy: -822.515
where: short stacking energy: -320.390
Base-Backbone interact. energy: -0.614
local terms energy: -357.422295
where:
bonds (distance) C4'-P energy: -63.539
bonds (distance) P-C4' energy: -68.757
flat angles C4'-P-C4' energy: -72.967
flat angles P-C4'-P energy: -54.909
tors. eta vs tors. theta energy: -97.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.037 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1115.151613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.151613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.151613 (E_RNA)
where:
Base-Base interactions energy: -758.018
where: short stacking energy: -325.275
Base-Backbone interact. energy: -0.807
local terms energy: -356.327171
where:
bonds (distance) C4'-P energy: -66.773
bonds (distance) P-C4' energy: -60.904
flat angles C4'-P-C4' energy: -72.956
flat angles P-C4'-P energy: -51.567
tors. eta vs tors. theta energy: -104.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1011.410198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.410198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.410198 (E_RNA)
where:
Base-Base interactions energy: -692.797
where: short stacking energy: -299.912
Base-Backbone interact. energy: -2.282
local terms energy: -316.330474
where:
bonds (distance) C4'-P energy: -54.442
bonds (distance) P-C4' energy: -65.204
flat angles C4'-P-C4' energy: -65.873
flat angles P-C4'-P energy: -41.831
tors. eta vs tors. theta energy: -88.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -972.816856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.816856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.816856 (E_RNA)
where:
Base-Base interactions energy: -642.284
where: short stacking energy: -281.394
Base-Backbone interact. energy: -0.650
local terms energy: -329.883723
where:
bonds (distance) C4'-P energy: -59.092
bonds (distance) P-C4' energy: -63.578
flat angles C4'-P-C4' energy: -75.576
flat angles P-C4'-P energy: -49.580
tors. eta vs tors. theta energy: -82.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -798.163646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.163646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.163646 (E_RNA)
where:
Base-Base interactions energy: -514.550
where: short stacking energy: -225.579
Base-Backbone interact. energy: -0.452
local terms energy: -283.162422
where:
bonds (distance) C4'-P energy: -61.103
bonds (distance) P-C4' energy: -66.095
flat angles C4'-P-C4' energy: -59.024
flat angles P-C4'-P energy: -38.185
tors. eta vs tors. theta energy: -58.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -808.841843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.841843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.841843 (E_RNA)
where:
Base-Base interactions energy: -518.122
where: short stacking energy: -233.451
Base-Backbone interact. energy: -0.589
local terms energy: -290.277753
where:
bonds (distance) C4'-P energy: -67.278
bonds (distance) P-C4' energy: -48.813
flat angles C4'-P-C4' energy: -61.370
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -69.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.147 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -685.301389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.301389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.301389 (E_RNA)
where:
Base-Base interactions energy: -415.701
where: short stacking energy: -198.948
Base-Backbone interact. energy: -0.415
local terms energy: -269.184641
where:
bonds (distance) C4'-P energy: -64.910
bonds (distance) P-C4' energy: -48.770
flat angles C4'-P-C4' energy: -69.570
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -55.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -407.655192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.655192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.655192 (E_RNA)
where:
Base-Base interactions energy: -208.578
where: short stacking energy: -113.365
Base-Backbone interact. energy: -0.421
local terms energy: -198.655573
where:
bonds (distance) C4'-P energy: -56.476
bonds (distance) P-C4' energy: -61.974
flat angles C4'-P-C4' energy: -43.648
flat angles P-C4'-P energy: -35.193
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -458.260497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.260497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.260497 (E_RNA)
where:
Base-Base interactions energy: -259.892
where: short stacking energy: -125.139
Base-Backbone interact. energy: 7.365
local terms energy: -205.733990
where:
bonds (distance) C4'-P energy: -51.265
bonds (distance) P-C4' energy: -57.362
flat angles C4'-P-C4' energy: -50.683
flat angles P-C4'-P energy: -39.108
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -265.712069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.712069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.712069 (E_RNA)
where:
Base-Base interactions energy: -86.923
where: short stacking energy: -73.309
Base-Backbone interact. energy: 0.765
local terms energy: -179.554088
where:
bonds (distance) C4'-P energy: -53.740
bonds (distance) P-C4' energy: -54.480
flat angles C4'-P-C4' energy: -59.350
flat angles P-C4'-P energy: -24.943
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: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1187.722624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.722624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.722624 (E_RNA)
where:
Base-Base interactions energy: -815.480
where: short stacking energy: -328.491
Base-Backbone interact. energy: -2.575
local terms energy: -369.667533
where:
bonds (distance) C4'-P energy: -71.174
bonds (distance) P-C4' energy: -67.258
flat angles C4'-P-C4' energy: -78.131
flat angles P-C4'-P energy: -50.040
tors. eta vs tors. theta energy: -103.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1107.006808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.006808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.006808 (E_RNA)
where:
Base-Base interactions energy: -748.477
where: short stacking energy: -322.505
Base-Backbone interact. energy: -1.220
local terms energy: -357.891471
where:
bonds (distance) C4'-P energy: -75.068
bonds (distance) P-C4' energy: -64.124
flat angles C4'-P-C4' energy: -74.665
flat angles P-C4'-P energy: -43.909
tors. eta vs tors. theta energy: -100.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.582 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1015.224766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.224766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.224766 (E_RNA)
where:
Base-Base interactions energy: -688.566
where: short stacking energy: -283.908
Base-Backbone interact. energy: 0.916
local terms energy: -327.575129
where:
bonds (distance) C4'-P energy: -68.322
bonds (distance) P-C4' energy: -61.417
flat angles C4'-P-C4' energy: -62.715
flat angles P-C4'-P energy: -49.399
tors. eta vs tors. theta energy: -85.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -985.744853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.744853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.744853 (E_RNA)
where:
Base-Base interactions energy: -656.237
where: short stacking energy: -289.695
Base-Backbone interact. energy: 1.253
local terms energy: -330.760909
where:
bonds (distance) C4'-P energy: -68.981
bonds (distance) P-C4' energy: -67.608
flat angles C4'-P-C4' energy: -61.390
flat angles P-C4'-P energy: -41.057
tors. eta vs tors. theta energy: -91.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -821.221623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.221623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.221623 (E_RNA)
where:
Base-Base interactions energy: -530.679
where: short stacking energy: -240.594
Base-Backbone interact. energy: -1.210
local terms energy: -289.332663
where:
bonds (distance) C4'-P energy: -51.179
bonds (distance) P-C4' energy: -57.999
flat angles C4'-P-C4' energy: -74.013
flat angles P-C4'-P energy: -40.425
tors. eta vs tors. theta energy: -65.717
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: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -823.676358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.676358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.676358 (E_RNA)
where:
Base-Base interactions energy: -539.061
where: short stacking energy: -228.234
Base-Backbone interact. energy: -1.187
local terms energy: -285.966482
where:
bonds (distance) C4'-P energy: -69.003
bonds (distance) P-C4' energy: -58.154
flat angles C4'-P-C4' energy: -59.302
flat angles P-C4'-P energy: -36.997
tors. eta vs tors. theta energy: -62.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.537 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -719.304103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.304103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.304103 (E_RNA)
where:
Base-Base interactions energy: -449.304
where: short stacking energy: -183.179
Base-Backbone interact. energy: 0.400
local terms energy: -270.400222
where:
bonds (distance) C4'-P energy: -52.812
bonds (distance) P-C4' energy: -71.338
flat angles C4'-P-C4' energy: -69.977
flat angles P-C4'-P energy: -33.296
tors. eta vs tors. theta energy: -42.977
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: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -519.863307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.863307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.863307 (E_RNA)
where:
Base-Base interactions energy: -291.466
where: short stacking energy: -145.737
Base-Backbone interact. energy: -1.223
local terms energy: -227.174458
where:
bonds (distance) C4'-P energy: -60.988
bonds (distance) P-C4' energy: -52.975
flat angles C4'-P-C4' energy: -64.657
flat angles P-C4'-P energy: -30.312
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -428.465013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.465013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.465013 (E_RNA)
where:
Base-Base interactions energy: -226.344
where: short stacking energy: -103.699
Base-Backbone interact. energy: -1.016
local terms energy: -201.104396
where:
bonds (distance) C4'-P energy: -61.773
bonds (distance) P-C4' energy: -66.860
flat angles C4'-P-C4' energy: -45.023
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -9.018
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: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -294.948396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.948396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.948396 (E_RNA)
where:
Base-Base interactions energy: -111.396
where: short stacking energy: -97.035
Base-Backbone interact. energy: -0.101
local terms energy: -183.451480
where:
bonds (distance) C4'-P energy: -51.773
bonds (distance) P-C4' energy: -65.319
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1163.390794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.390794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.390794 (E_RNA)
where:
Base-Base interactions energy: -796.616
where: short stacking energy: -300.698
Base-Backbone interact. energy: 2.113
local terms energy: -368.887714
where:
bonds (distance) C4'-P energy: -68.909
bonds (distance) P-C4' energy: -69.321
flat angles C4'-P-C4' energy: -78.662
flat angles P-C4'-P energy: -54.406
tors. eta vs tors. theta energy: -97.589
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: 464
Temperature: 0.950000
Total energy: -1104.213043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.213043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.213043 (E_RNA)
where:
Base-Base interactions energy: -768.530
where: short stacking energy: -328.697
Base-Backbone interact. energy: -0.998
local terms energy: -334.685156
where:
bonds (distance) C4'-P energy: -53.062
bonds (distance) P-C4' energy: -66.883
flat angles C4'-P-C4' energy: -73.983
flat angles P-C4'-P energy: -37.542
tors. eta vs tors. theta energy: -103.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1030.346097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.346097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.346097 (E_RNA)
where:
Base-Base interactions energy: -690.764
where: short stacking energy: -300.056
Base-Backbone interact. energy: -0.983
local terms energy: -338.598616
where:
bonds (distance) C4'-P energy: -60.195
bonds (distance) P-C4' energy: -69.473
flat angles C4'-P-C4' energy: -71.868
flat angles P-C4'-P energy: -44.180
tors. eta vs tors. theta energy: -92.883
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: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -958.952281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.952281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.952281 (E_RNA)
where:
Base-Base interactions energy: -651.138
where: short stacking energy: -268.879
Base-Backbone interact. energy: -1.221
local terms energy: -306.592525
where:
bonds (distance) C4'-P energy: -44.680
bonds (distance) P-C4' energy: -57.763
flat angles C4'-P-C4' energy: -73.819
flat angles P-C4'-P energy: -46.199
tors. eta vs tors. theta energy: -84.130
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: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -865.804555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.804555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.804555 (E_RNA)
where:
Base-Base interactions energy: -566.737
where: short stacking energy: -249.122
Base-Backbone interact. energy: 5.765
local terms energy: -304.833004
where:
bonds (distance) C4'-P energy: -63.091
bonds (distance) P-C4' energy: -66.574
flat angles C4'-P-C4' energy: -68.584
flat angles P-C4'-P energy: -39.241
tors. eta vs tors. theta energy: -67.343
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: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -804.762466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.762466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.762466 (E_RNA)
where:
Base-Base interactions energy: -537.667
where: short stacking energy: -238.135
Base-Backbone interact. energy: -2.461
local terms energy: -264.633769
where:
bonds (distance) C4'-P energy: -53.585
bonds (distance) P-C4' energy: -55.230
flat angles C4'-P-C4' energy: -55.948
flat angles P-C4'-P energy: -42.371
tors. eta vs tors. theta energy: -57.501
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: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -687.061372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.061372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.061372 (E_RNA)
where:
Base-Base interactions energy: -417.203
where: short stacking energy: -184.801
Base-Backbone interact. energy: -1.221
local terms energy: -268.638054
where:
bonds (distance) C4'-P energy: -62.941
bonds (distance) P-C4' energy: -67.577
flat angles C4'-P-C4' energy: -56.445
flat angles P-C4'-P energy: -39.225
tors. eta vs tors. theta energy: -42.451
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: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -526.722097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.722097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.722097 (E_RNA)
where:
Base-Base interactions energy: -286.897
where: short stacking energy: -141.816
Base-Backbone interact. energy: 0.743
local terms energy: -240.568084
where:
bonds (distance) C4'-P energy: -57.395
bonds (distance) P-C4' energy: -65.276
flat angles C4'-P-C4' energy: -52.602
flat angles P-C4'-P energy: -43.122
tors. eta vs tors. theta energy: -22.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -381.524812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.524812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.524812 (E_RNA)
where:
Base-Base interactions energy: -207.893
where: short stacking energy: -96.988
Base-Backbone interact. energy: -1.189
local terms energy: -172.442790
where:
bonds (distance) C4'-P energy: -56.642
bonds (distance) P-C4' energy: -55.538
flat angles C4'-P-C4' energy: -42.393
flat angles P-C4'-P energy: -18.951
tors. eta vs tors. theta energy: 1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -283.511259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.511259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.511259 (E_RNA)
where:
Base-Base interactions energy: -95.902
where: short stacking energy: -64.261
Base-Backbone interact. energy: 0.895
local terms energy: -188.504628
where:
bonds (distance) C4'-P energy: -68.409
bonds (distance) P-C4' energy: -46.050
flat angles C4'-P-C4' energy: -50.486
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: 1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1168.039108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.039108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.039108 (E_RNA)
where:
Base-Base interactions energy: -812.151
where: short stacking energy: -323.593
Base-Backbone interact. energy: -0.442
local terms energy: -355.445455
where:
bonds (distance) C4'-P energy: -58.547
bonds (distance) P-C4' energy: -66.403
flat angles C4'-P-C4' energy: -79.411
flat angles P-C4'-P energy: -50.249
tors. eta vs tors. theta energy: -100.836
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: 465
Temperature: 0.950000
Total energy: -1125.326815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.326815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.326815 (E_RNA)
where:
Base-Base interactions energy: -766.253
where: short stacking energy: -330.240
Base-Backbone interact. energy: -1.119
local terms energy: -357.954892
where:
bonds (distance) C4'-P energy: -64.096
bonds (distance) P-C4' energy: -73.207
flat angles C4'-P-C4' energy: -68.282
flat angles P-C4'-P energy: -48.948
tors. eta vs tors. theta energy: -103.422
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: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1037.571095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.571095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.571095 (E_RNA)
where:
Base-Base interactions energy: -719.666
where: short stacking energy: -296.231
Base-Backbone interact. energy: 0.622
local terms energy: -318.527561
where:
bonds (distance) C4'-P energy: -53.421
bonds (distance) P-C4' energy: -64.764
flat angles C4'-P-C4' energy: -62.433
flat angles P-C4'-P energy: -49.760
tors. eta vs tors. theta energy: -88.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -973.618058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.618058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.618058 (E_RNA)
where:
Base-Base interactions energy: -668.111
where: short stacking energy: -283.435
Base-Backbone interact. energy: -0.518
local terms energy: -304.988810
where:
bonds (distance) C4'-P energy: -54.605
bonds (distance) P-C4' energy: -62.769
flat angles C4'-P-C4' energy: -59.459
flat angles P-C4'-P energy: -43.334
tors. eta vs tors. theta energy: -84.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -852.442675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.442675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.442675 (E_RNA)
where:
Base-Base interactions energy: -566.410
where: short stacking energy: -245.393
Base-Backbone interact. energy: -1.400
local terms energy: -284.632386
where:
bonds (distance) C4'-P energy: -53.781
bonds (distance) P-C4' energy: -59.527
flat angles C4'-P-C4' energy: -59.032
flat angles P-C4'-P energy: -46.314
tors. eta vs tors. theta energy: -65.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -816.527225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.527225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.527225 (E_RNA)
where:
Base-Base interactions energy: -542.350
where: short stacking energy: -236.125
Base-Backbone interact. energy: 6.264
local terms energy: -280.441164
where:
bonds (distance) C4'-P energy: -51.219
bonds (distance) P-C4' energy: -62.636
flat angles C4'-P-C4' energy: -69.608
flat angles P-C4'-P energy: -30.059
tors. eta vs tors. theta energy: -66.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -684.879895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.879895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.879895 (E_RNA)
where:
Base-Base interactions energy: -428.683
where: short stacking energy: -197.957
Base-Backbone interact. energy: -1.486
local terms energy: -254.710408
where:
bonds (distance) C4'-P energy: -60.941
bonds (distance) P-C4' energy: -69.053
flat angles C4'-P-C4' energy: -55.436
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: -36.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -541.347019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.347019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.347019 (E_RNA)
where:
Base-Base interactions energy: -316.109
where: short stacking energy: -135.621
Base-Backbone interact. energy: -2.178
local terms energy: -223.059268
where:
bonds (distance) C4'-P energy: -51.820
bonds (distance) P-C4' energy: -51.753
flat angles C4'-P-C4' energy: -61.450
flat angles P-C4'-P energy: -37.105
tors. eta vs tors. theta energy: -20.931
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: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -413.017714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.017714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.017714 (E_RNA)
where:
Base-Base interactions energy: -215.759
where: short stacking energy: -118.935
Base-Backbone interact. energy: -2.547
local terms energy: -194.711011
where:
bonds (distance) C4'-P energy: -56.973
bonds (distance) P-C4' energy: -66.445
flat angles C4'-P-C4' energy: -35.024
flat angles P-C4'-P energy: -27.452
tors. eta vs tors. theta energy: -8.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -274.966213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.966213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.966213 (E_RNA)
where:
Base-Base interactions energy: -111.661
where: short stacking energy: -78.066
Base-Backbone interact. energy: 1.962
local terms energy: -165.267416
where:
bonds (distance) C4'-P energy: -58.950
bonds (distance) P-C4' energy: -61.874
flat angles C4'-P-C4' energy: -27.409
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: 14.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1154.385018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.385018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.385018 (E_RNA)
where:
Base-Base interactions energy: -801.561
where: short stacking energy: -306.055
Base-Backbone interact. energy: -2.185
local terms energy: -350.638319
where:
bonds (distance) C4'-P energy: -67.141
bonds (distance) P-C4' energy: -64.416
flat angles C4'-P-C4' energy: -73.163
flat angles P-C4'-P energy: -51.113
tors. eta vs tors. theta energy: -94.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1104.935771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.935771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.935771 (E_RNA)
where:
Base-Base interactions energy: -748.821
where: short stacking energy: -321.236
Base-Backbone interact. energy: -0.427
local terms energy: -355.687478
where:
bonds (distance) C4'-P energy: -59.219
bonds (distance) P-C4' energy: -76.822
flat angles C4'-P-C4' energy: -70.377
flat angles P-C4'-P energy: -47.613
tors. eta vs tors. theta energy: -101.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1037.191784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.191784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.191784 (E_RNA)
where:
Base-Base interactions energy: -687.492
where: short stacking energy: -304.035
Base-Backbone interact. energy: -0.623
local terms energy: -349.077429
where:
bonds (distance) C4'-P energy: -61.881
bonds (distance) P-C4' energy: -72.971
flat angles C4'-P-C4' energy: -71.495
flat angles P-C4'-P energy: -45.986
tors. eta vs tors. theta energy: -96.743
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: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -978.577638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.577638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.577638 (E_RNA)
where:
Base-Base interactions energy: -674.906
where: short stacking energy: -289.819
Base-Backbone interact. energy: -0.193
local terms energy: -303.479189
where:
bonds (distance) C4'-P energy: -55.344
bonds (distance) P-C4' energy: -52.295
flat angles C4'-P-C4' energy: -65.848
flat angles P-C4'-P energy: -43.165
tors. eta vs tors. theta energy: -86.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -842.681494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.681494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.681494 (E_RNA)
where:
Base-Base interactions energy: -532.961
where: short stacking energy: -224.034
Base-Backbone interact. energy: -0.709
local terms energy: -309.011860
where:
bonds (distance) C4'-P energy: -62.333
bonds (distance) P-C4' energy: -57.316
flat angles C4'-P-C4' energy: -72.022
flat angles P-C4'-P energy: -52.858
tors. eta vs tors. theta energy: -64.482
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: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -846.179794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.179794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.179794 (E_RNA)
where:
Base-Base interactions energy: -543.759
where: short stacking energy: -216.815
Base-Backbone interact. energy: -1.852
local terms energy: -300.568668
where:
bonds (distance) C4'-P energy: -59.469
bonds (distance) P-C4' energy: -65.838
flat angles C4'-P-C4' energy: -63.643
flat angles P-C4'-P energy: -43.374
tors. eta vs tors. theta energy: -68.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -763.096026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.096026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.096026 (E_RNA)
where:
Base-Base interactions energy: -478.136
where: short stacking energy: -231.381
Base-Backbone interact. energy: 3.115
local terms energy: -288.075117
where:
bonds (distance) C4'-P energy: -57.326
bonds (distance) P-C4' energy: -64.075
flat angles C4'-P-C4' energy: -62.765
flat angles P-C4'-P energy: -43.709
tors. eta vs tors. theta energy: -60.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -587.062065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.062065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.062065 (E_RNA)
where:
Base-Base interactions energy: -344.610
where: short stacking energy: -153.883
Base-Backbone interact. energy: -0.339
local terms energy: -242.112933
where:
bonds (distance) C4'-P energy: -54.822
bonds (distance) P-C4' energy: -54.111
flat angles C4'-P-C4' energy: -56.982
flat angles P-C4'-P energy: -52.604
tors. eta vs tors. theta energy: -23.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -394.631682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.631682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.631682 (E_RNA)
where:
Base-Base interactions energy: -190.632
where: short stacking energy: -114.522
Base-Backbone interact. energy: 1.180
local terms energy: -205.179255
where:
bonds (distance) C4'-P energy: -61.290
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -58.936
flat angles P-C4'-P energy: -45.790
tors. eta vs tors. theta energy: -2.208
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: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -274.351834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.351834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.351834 (E_RNA)
where:
Base-Base interactions energy: -92.608
where: short stacking energy: -68.063
Base-Backbone interact. energy: -0.545
local terms energy: -181.199280
where:
bonds (distance) C4'-P energy: -56.305
bonds (distance) P-C4' energy: -53.343
flat angles C4'-P-C4' energy: -53.890
flat angles P-C4'-P energy: -30.582
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: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1153.790916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.790916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.790916 (E_RNA)
where:
Base-Base interactions energy: -799.649
where: short stacking energy: -326.436
Base-Backbone interact. energy: -0.908
local terms energy: -353.233647
where:
bonds (distance) C4'-P energy: -63.287
bonds (distance) P-C4' energy: -69.655
flat angles C4'-P-C4' energy: -74.298
flat angles P-C4'-P energy: -45.536
tors. eta vs tors. theta energy: -100.457
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: 467
Temperature: 0.950000
Total energy: -1081.129876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.129876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.129876 (E_RNA)
where:
Base-Base interactions energy: -719.014
where: short stacking energy: -308.409
Base-Backbone interact. energy: -1.436
local terms energy: -360.679287
where:
bonds (distance) C4'-P energy: -59.066
bonds (distance) P-C4' energy: -74.621
flat angles C4'-P-C4' energy: -76.121
flat angles P-C4'-P energy: -54.721
tors. eta vs tors. theta energy: -96.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1036.651338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.651338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.651338 (E_RNA)
where:
Base-Base interactions energy: -698.030
where: short stacking energy: -315.629
Base-Backbone interact. energy: -0.229
local terms energy: -338.392312
where:
bonds (distance) C4'-P energy: -56.865
bonds (distance) P-C4' energy: -65.702
flat angles C4'-P-C4' energy: -72.777
flat angles P-C4'-P energy: -42.717
tors. eta vs tors. theta energy: -100.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1007.104512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.104512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.104512 (E_RNA)
where:
Base-Base interactions energy: -690.297
where: short stacking energy: -267.257
Base-Backbone interact. energy: -2.505
local terms energy: -314.302916
where:
bonds (distance) C4'-P energy: -57.550
bonds (distance) P-C4' energy: -55.061
flat angles C4'-P-C4' energy: -69.312
flat angles P-C4'-P energy: -53.638
tors. eta vs tors. theta energy: -78.743
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: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -844.906592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.906592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.906592 (E_RNA)
where:
Base-Base interactions energy: -558.585
where: short stacking energy: -248.886
Base-Backbone interact. energy: -0.710
local terms energy: -285.611280
where:
bonds (distance) C4'-P energy: -57.942
bonds (distance) P-C4' energy: -65.128
flat angles C4'-P-C4' energy: -55.369
flat angles P-C4'-P energy: -37.503
tors. eta vs tors. theta energy: -69.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -821.567212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.567212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.567212 (E_RNA)
where:
Base-Base interactions energy: -533.281
where: short stacking energy: -233.578
Base-Backbone interact. energy: -0.226
local terms energy: -288.692878
where:
bonds (distance) C4'-P energy: -48.917
bonds (distance) P-C4' energy: -62.741
flat angles C4'-P-C4' energy: -74.984
flat angles P-C4'-P energy: -44.559
tors. eta vs tors. theta energy: -57.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.633 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -737.205497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.205497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.205497 (E_RNA)
where:
Base-Base interactions energy: -480.698
where: short stacking energy: -225.317
Base-Backbone interact. energy: 3.599
local terms energy: -260.106944
where:
bonds (distance) C4'-P energy: -56.748
bonds (distance) P-C4' energy: -58.652
flat angles C4'-P-C4' energy: -59.193
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -53.924
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: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -559.978715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.978715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.978715 (E_RNA)
where:
Base-Base interactions energy: -301.624
where: short stacking energy: -154.617
Base-Backbone interact. energy: -0.143
local terms energy: -258.211381
where:
bonds (distance) C4'-P energy: -57.800
bonds (distance) P-C4' energy: -64.560
flat angles C4'-P-C4' energy: -59.521
flat angles P-C4'-P energy: -36.018
tors. eta vs tors. theta energy: -40.312
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: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -414.336791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.336791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.336791 (E_RNA)
where:
Base-Base interactions energy: -196.499
where: short stacking energy: -103.794
Base-Backbone interact. energy: 0.336
local terms energy: -218.173784
where:
bonds (distance) C4'-P energy: -48.773
bonds (distance) P-C4' energy: -69.313
flat angles C4'-P-C4' energy: -57.090
flat angles P-C4'-P energy: -34.448
tors. eta vs tors. theta energy: -8.551
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: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -275.957169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.957169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.957169 (E_RNA)
where:
Base-Base interactions energy: -103.099
where: short stacking energy: -61.824
Base-Backbone interact. energy: 0.253
local terms energy: -173.111405
where:
bonds (distance) C4'-P energy: -51.968
bonds (distance) P-C4' energy: -42.580
flat angles C4'-P-C4' energy: -52.535
flat angles P-C4'-P energy: -30.658
tors. eta vs tors. theta energy: 4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1178.136733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.136733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.136733 (E_RNA)
where:
Base-Base interactions energy: -818.324
where: short stacking energy: -334.004
Base-Backbone interact. energy: -0.888
local terms energy: -358.925000
where:
bonds (distance) C4'-P energy: -66.235
bonds (distance) P-C4' energy: -65.936
flat angles C4'-P-C4' energy: -71.117
flat angles P-C4'-P energy: -48.783
tors. eta vs tors. theta energy: -106.854
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: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1101.099396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.099396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.099396 (E_RNA)
where:
Base-Base interactions energy: -761.929
where: short stacking energy: -297.714
Base-Backbone interact. energy: -0.781
local terms energy: -338.389737
where:
bonds (distance) C4'-P energy: -66.459
bonds (distance) P-C4' energy: -62.338
flat angles C4'-P-C4' energy: -69.251
flat angles P-C4'-P energy: -47.408
tors. eta vs tors. theta energy: -92.934
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: 3
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1031.871770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.871770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.871770 (E_RNA)
where:
Base-Base interactions energy: -697.973
where: short stacking energy: -301.686
Base-Backbone interact. energy: -1.960
local terms energy: -331.938485
where:
bonds (distance) C4'-P energy: -57.107
bonds (distance) P-C4' energy: -64.692
flat angles C4'-P-C4' energy: -71.773
flat angles P-C4'-P energy: -46.453
tors. eta vs tors. theta energy: -91.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -968.004285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.004285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.004285 (E_RNA)
where:
Base-Base interactions energy: -639.755
where: short stacking energy: -282.368
Base-Backbone interact. energy: -2.004
local terms energy: -326.244856
where:
bonds (distance) C4'-P energy: -57.769
bonds (distance) P-C4' energy: -63.777
flat angles C4'-P-C4' energy: -58.778
flat angles P-C4'-P energy: -56.621
tors. eta vs tors. theta energy: -89.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -833.166034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.166034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.166034 (E_RNA)
where:
Base-Base interactions energy: -553.210
where: short stacking energy: -239.954
Base-Backbone interact. energy: 1.590
local terms energy: -281.854496
where:
bonds (distance) C4'-P energy: -69.743
bonds (distance) P-C4' energy: -59.702
flat angles C4'-P-C4' energy: -61.186
flat angles P-C4'-P energy: -33.670
tors. eta vs tors. theta energy: -57.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.308 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -830.937275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.937275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.937275 (E_RNA)
where:
Base-Base interactions energy: -543.188
where: short stacking energy: -238.002
Base-Backbone interact. energy: -0.914
local terms energy: -286.835207
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -63.126
flat angles C4'-P-C4' energy: -67.491
flat angles P-C4'-P energy: -45.377
tors. eta vs tors. theta energy: -62.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -737.317334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.317334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.317334 (E_RNA)
where:
Base-Base interactions energy: -468.143
where: short stacking energy: -203.519
Base-Backbone interact. energy: 0.518
local terms energy: -269.692421
where:
bonds (distance) C4'-P energy: -58.545
bonds (distance) P-C4' energy: -61.467
flat angles C4'-P-C4' energy: -54.948
flat angles P-C4'-P energy: -46.618
tors. eta vs tors. theta energy: -48.115
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: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -568.655856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.655856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.655856 (E_RNA)
where:
Base-Base interactions energy: -341.531
where: short stacking energy: -158.026
Base-Backbone interact. energy: -0.211
local terms energy: -226.914231
where:
bonds (distance) C4'-P energy: -44.646
bonds (distance) P-C4' energy: -68.506
flat angles C4'-P-C4' energy: -54.081
flat angles P-C4'-P energy: -33.073
tors. eta vs tors. theta energy: -26.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -422.807857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.807857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.807857 (E_RNA)
where:
Base-Base interactions energy: -230.974
where: short stacking energy: -120.678
Base-Backbone interact. energy: -1.834
local terms energy: -190.000349
where:
bonds (distance) C4'-P energy: -39.798
bonds (distance) P-C4' energy: -51.862
flat angles C4'-P-C4' energy: -55.337
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -272.843097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.843097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.843097 (E_RNA)
where:
Base-Base interactions energy: -100.021
where: short stacking energy: -74.425
Base-Backbone interact. energy: 11.049
local terms energy: -183.870458
where:
bonds (distance) C4'-P energy: -58.428
bonds (distance) P-C4' energy: -61.665
flat angles C4'-P-C4' energy: -49.056
flat angles P-C4'-P energy: -32.726
tors. eta vs tors. theta energy: 18.005
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: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1164.936603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.936603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.936603 (E_RNA)
where:
Base-Base interactions energy: -805.537
where: short stacking energy: -332.869
Base-Backbone interact. energy: -0.734
local terms energy: -358.665547
where:
bonds (distance) C4'-P energy: -60.263
bonds (distance) P-C4' energy: -69.034
flat angles C4'-P-C4' energy: -72.243
flat angles P-C4'-P energy: -56.245
tors. eta vs tors. theta energy: -100.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1095.244151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.244151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.244151 (E_RNA)
where:
Base-Base interactions energy: -749.894
where: short stacking energy: -307.231
Base-Backbone interact. energy: -0.367
local terms energy: -344.982765
where:
bonds (distance) C4'-P energy: -64.535
bonds (distance) P-C4' energy: -64.460
flat angles C4'-P-C4' energy: -72.015
flat angles P-C4'-P energy: -44.834
tors. eta vs tors. theta energy: -99.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1033.576732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.576732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.576732 (E_RNA)
where:
Base-Base interactions energy: -678.971
where: short stacking energy: -286.419
Base-Backbone interact. energy: -2.676
local terms energy: -351.929615
where:
bonds (distance) C4'-P energy: -65.612
bonds (distance) P-C4' energy: -70.350
flat angles C4'-P-C4' energy: -63.420
flat angles P-C4'-P energy: -56.054
tors. eta vs tors. theta energy: -96.493
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: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -935.918774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.918774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.918774 (E_RNA)
where:
Base-Base interactions energy: -629.217
where: short stacking energy: -270.534
Base-Backbone interact. energy: -2.396
local terms energy: -304.306384
where:
bonds (distance) C4'-P energy: -52.815
bonds (distance) P-C4' energy: -58.745
flat angles C4'-P-C4' energy: -65.730
flat angles P-C4'-P energy: -44.173
tors. eta vs tors. theta energy: -82.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -832.137564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.137564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.137564 (E_RNA)
where:
Base-Base interactions energy: -541.703
where: short stacking energy: -228.419
Base-Backbone interact. energy: -1.235
local terms energy: -289.199375
where:
bonds (distance) C4'-P energy: -69.425
bonds (distance) P-C4' energy: -67.718
flat angles C4'-P-C4' energy: -60.447
flat angles P-C4'-P energy: -37.492
tors. eta vs tors. theta energy: -54.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -853.742488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.742488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.742488 (E_RNA)
where:
Base-Base interactions energy: -560.858
where: short stacking energy: -247.106
Base-Backbone interact. energy: 0.580
local terms energy: -293.463709
where:
bonds (distance) C4'-P energy: -50.335
bonds (distance) P-C4' energy: -70.498
flat angles C4'-P-C4' energy: -64.538
flat angles P-C4'-P energy: -42.688
tors. eta vs tors. theta energy: -65.405
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: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -719.538004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.538004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.538004 (E_RNA)
where:
Base-Base interactions energy: -440.303
where: short stacking energy: -199.870
Base-Backbone interact. energy: 0.890
local terms energy: -280.124550
where:
bonds (distance) C4'-P energy: -67.924
bonds (distance) P-C4' energy: -65.147
flat angles C4'-P-C4' energy: -64.412
flat angles P-C4'-P energy: -30.083
tors. eta vs tors. theta energy: -52.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -601.387059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.387059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.387059 (E_RNA)
where:
Base-Base interactions energy: -347.898
where: short stacking energy: -181.002
Base-Backbone interact. energy: -0.165
local terms energy: -253.323156
where:
bonds (distance) C4'-P energy: -59.786
bonds (distance) P-C4' energy: -52.622
flat angles C4'-P-C4' energy: -56.000
flat angles P-C4'-P energy: -42.024
tors. eta vs tors. theta energy: -42.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -419.111252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.111252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.111252 (E_RNA)
where:
Base-Base interactions energy: -202.911
where: short stacking energy: -125.805
Base-Backbone interact. energy: -1.528
local terms energy: -214.672025
where:
bonds (distance) C4'-P energy: -56.876
bonds (distance) P-C4' energy: -58.829
flat angles C4'-P-C4' energy: -57.830
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -17.709
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: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -259.763268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.763268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.763268 (E_RNA)
where:
Base-Base interactions energy: -83.896
where: short stacking energy: -70.211
Base-Backbone interact. energy: -0.248
local terms energy: -175.619362
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -53.556
flat angles C4'-P-C4' energy: -43.370
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: 2.533
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: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1110.382041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.382041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.382041 (E_RNA)
where:
Base-Base interactions energy: -753.318
where: short stacking energy: -311.148
Base-Backbone interact. energy: -0.529
local terms energy: -356.535241
where:
bonds (distance) C4'-P energy: -72.932
bonds (distance) P-C4' energy: -67.902
flat angles C4'-P-C4' energy: -70.922
flat angles P-C4'-P energy: -50.331
tors. eta vs tors. theta energy: -94.449
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: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1156.194396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.194396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.194396 (E_RNA)
where:
Base-Base interactions energy: -787.750
where: short stacking energy: -305.700
Base-Backbone interact. energy: -1.972
local terms energy: -366.473018
where:
bonds (distance) C4'-P energy: -65.608
bonds (distance) P-C4' energy: -73.501
flat angles C4'-P-C4' energy: -75.944
flat angles P-C4'-P energy: -52.980
tors. eta vs tors. theta energy: -98.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1019.581131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.581131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.581131 (E_RNA)
where:
Base-Base interactions energy: -687.581
where: short stacking energy: -266.521
Base-Backbone interact. energy: -2.170
local terms energy: -329.830648
where:
bonds (distance) C4'-P energy: -68.608
bonds (distance) P-C4' energy: -67.723
flat angles C4'-P-C4' energy: -76.869
flat angles P-C4'-P energy: -42.602
tors. eta vs tors. theta energy: -74.029
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: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -954.597008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.597008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.597008 (E_RNA)
where:
Base-Base interactions energy: -628.935
where: short stacking energy: -271.099
Base-Backbone interact. energy: -1.016
local terms energy: -324.645613
where:
bonds (distance) C4'-P energy: -62.004
bonds (distance) P-C4' energy: -63.059
flat angles C4'-P-C4' energy: -69.085
flat angles P-C4'-P energy: -48.595
tors. eta vs tors. theta energy: -81.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -862.315590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.315590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.315590 (E_RNA)
where:
Base-Base interactions energy: -598.341
where: short stacking energy: -251.118
Base-Backbone interact. energy: 1.491
local terms energy: -265.466037
where:
bonds (distance) C4'-P energy: -57.247
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -57.558
flat angles P-C4'-P energy: -38.808
tors. eta vs tors. theta energy: -72.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -787.697484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.697484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.697484 (E_RNA)
where:
Base-Base interactions energy: -493.930
where: short stacking energy: -213.460
Base-Backbone interact. energy: -0.074
local terms energy: -293.693067
where:
bonds (distance) C4'-P energy: -61.006
bonds (distance) P-C4' energy: -65.467
flat angles C4'-P-C4' energy: -61.498
flat angles P-C4'-P energy: -43.902
tors. eta vs tors. theta energy: -61.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -737.836939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.836939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.836939 (E_RNA)
where:
Base-Base interactions energy: -474.356
where: short stacking energy: -195.414
Base-Backbone interact. energy: -1.418
local terms energy: -262.063335
where:
bonds (distance) C4'-P energy: -55.572
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -62.198
flat angles P-C4'-P energy: -43.256
tors. eta vs tors. theta energy: -48.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -553.365142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.365142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.365142 (E_RNA)
where:
Base-Base interactions energy: -346.384
where: short stacking energy: -173.488
Base-Backbone interact. energy: 6.602
local terms energy: -213.582519
where:
bonds (distance) C4'-P energy: -46.104
bonds (distance) P-C4' energy: -61.918
flat angles C4'-P-C4' energy: -44.241
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -21.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -282.467545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.467545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.467545 (E_RNA)
where:
Base-Base interactions energy: -97.549
where: short stacking energy: -70.055
Base-Backbone interact. energy: -2.023
local terms energy: -182.895166
where:
bonds (distance) C4'-P energy: -61.782
bonds (distance) P-C4' energy: -55.289
flat angles C4'-P-C4' energy: -47.713
flat angles P-C4'-P energy: -28.255
tors. eta vs tors. theta energy: 10.144
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: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -387.722344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.722344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.722344 (E_RNA)
where:
Base-Base interactions energy: -183.198
where: short stacking energy: -84.863
Base-Backbone interact. energy: 0.068
local terms energy: -204.592251
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -56.180
flat angles C4'-P-C4' energy: -55.080
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1114.245263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.245263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.245263 (E_RNA)
where:
Base-Base interactions energy: -757.646
where: short stacking energy: -317.324
Base-Backbone interact. energy: -1.165
local terms energy: -355.434094
where:
bonds (distance) C4'-P energy: -66.908
bonds (distance) P-C4' energy: -68.119
flat angles C4'-P-C4' energy: -70.647
flat angles P-C4'-P energy: -49.146
tors. eta vs tors. theta energy: -100.615
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: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1142.535399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.535399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.535399 (E_RNA)
where:
Base-Base interactions energy: -777.939
where: short stacking energy: -297.840
Base-Backbone interact. energy: -0.470
local terms energy: -364.125971
where:
bonds (distance) C4'-P energy: -66.508
bonds (distance) P-C4' energy: -67.392
flat angles C4'-P-C4' energy: -76.942
flat angles P-C4'-P energy: -54.220
tors. eta vs tors. theta energy: -99.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1045.184575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.184575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.184575 (E_RNA)
where:
Base-Base interactions energy: -726.575
where: short stacking energy: -304.578
Base-Backbone interact. energy: -0.309
local terms energy: -318.300705
where:
bonds (distance) C4'-P energy: -61.505
bonds (distance) P-C4' energy: -57.221
flat angles C4'-P-C4' energy: -69.773
flat angles P-C4'-P energy: -43.909
tors. eta vs tors. theta energy: -85.893
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: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -906.169557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.169557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.169557 (E_RNA)
where:
Base-Base interactions energy: -610.188
where: short stacking energy: -258.986
Base-Backbone interact. energy: -1.217
local terms energy: -294.764409
where:
bonds (distance) C4'-P energy: -60.722
bonds (distance) P-C4' energy: -57.724
flat angles C4'-P-C4' energy: -64.244
flat angles P-C4'-P energy: -40.583
tors. eta vs tors. theta energy: -71.491
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: 5, replica: 8
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -944.887902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.887902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.887902 (E_RNA)
where:
Base-Base interactions energy: -626.221
where: short stacking energy: -269.500
Base-Backbone interact. energy: -2.068
local terms energy: -316.599530
where:
bonds (distance) C4'-P energy: -63.267
bonds (distance) P-C4' energy: -61.548
flat angles C4'-P-C4' energy: -68.459
flat angles P-C4'-P energy: -40.507
tors. eta vs tors. theta energy: -82.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -814.860350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.860350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.860350 (E_RNA)
where:
Base-Base interactions energy: -523.854
where: short stacking energy: -234.024
Base-Backbone interact. energy: -0.985
local terms energy: -290.021462
where:
bonds (distance) C4'-P energy: -69.391
bonds (distance) P-C4' energy: -50.841
flat angles C4'-P-C4' energy: -66.824
flat angles P-C4'-P energy: -40.538
tors. eta vs tors. theta energy: -62.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -738.038628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.038628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.038628 (E_RNA)
where:
Base-Base interactions energy: -469.400
where: short stacking energy: -214.097
Base-Backbone interact. energy: -1.454
local terms energy: -267.185166
where:
bonds (distance) C4'-P energy: -42.888
bonds (distance) P-C4' energy: -61.003
flat angles C4'-P-C4' energy: -62.911
flat angles P-C4'-P energy: -46.738
tors. eta vs tors. theta energy: -53.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -552.886488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.886488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.886488 (E_RNA)
where:
Base-Base interactions energy: -316.744
where: short stacking energy: -145.485
Base-Backbone interact. energy: -2.338
local terms energy: -233.805026
where:
bonds (distance) C4'-P energy: -56.988
bonds (distance) P-C4' energy: -62.029
flat angles C4'-P-C4' energy: -60.683
flat angles P-C4'-P energy: -30.776
tors. eta vs tors. theta energy: -23.329
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: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -312.539319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.539319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.539319 (E_RNA)
where:
Base-Base interactions energy: -110.804
where: short stacking energy: -79.498
Base-Backbone interact. energy: -1.051
local terms energy: -200.683581
where:
bonds (distance) C4'-P energy: -46.956
bonds (distance) P-C4' energy: -72.926
flat angles C4'-P-C4' energy: -59.401
flat angles P-C4'-P energy: -29.548
tors. eta vs tors. theta energy: 8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -363.553639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.553639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.553639 (E_RNA)
where:
Base-Base interactions energy: -167.120
where: short stacking energy: -96.655
Base-Backbone interact. energy: 0.509
local terms energy: -196.942655
where:
bonds (distance) C4'-P energy: -58.581
bonds (distance) P-C4' energy: -59.193
flat angles C4'-P-C4' energy: -48.532
flat angles P-C4'-P energy: -27.976
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1162.114801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.114801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.114801 (E_RNA)
where:
Base-Base interactions energy: -808.412
where: short stacking energy: -318.527
Base-Backbone interact. energy: -1.754
local terms energy: -351.949095
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -70.647
flat angles C4'-P-C4' energy: -73.126
flat angles P-C4'-P energy: -46.513
tors. eta vs tors. theta energy: -102.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1104.327160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.327160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.327160 (E_RNA)
where:
Base-Base interactions energy: -763.934
where: short stacking energy: -326.616
Base-Backbone interact. energy: -0.890
local terms energy: -339.502941
where:
bonds (distance) C4'-P energy: -57.984
bonds (distance) P-C4' energy: -64.065
flat angles C4'-P-C4' energy: -69.835
flat angles P-C4'-P energy: -47.832
tors. eta vs tors. theta energy: -99.786
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: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1024.654353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.654353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.654353 (E_RNA)
where:
Base-Base interactions energy: -682.236
where: short stacking energy: -285.526
Base-Backbone interact. energy: -1.924
local terms energy: -340.494423
where:
bonds (distance) C4'-P energy: -66.964
bonds (distance) P-C4' energy: -61.670
flat angles C4'-P-C4' energy: -67.538
flat angles P-C4'-P energy: -51.659
tors. eta vs tors. theta energy: -92.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -910.691775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.691775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.691775 (E_RNA)
where:
Base-Base interactions energy: -606.806
where: short stacking energy: -258.201
Base-Backbone interact. energy: -0.377
local terms energy: -303.507878
where:
bonds (distance) C4'-P energy: -58.431
bonds (distance) P-C4' energy: -59.153
flat angles C4'-P-C4' energy: -70.061
flat angles P-C4'-P energy: -41.107
tors. eta vs tors. theta energy: -74.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -952.007474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.007474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.007474 (E_RNA)
where:
Base-Base interactions energy: -654.755
where: short stacking energy: -285.223
Base-Backbone interact. energy: 3.527
local terms energy: -300.780035
where:
bonds (distance) C4'-P energy: -54.006
bonds (distance) P-C4' energy: -48.660
flat angles C4'-P-C4' energy: -65.715
flat angles P-C4'-P energy: -46.952
tors. eta vs tors. theta energy: -85.448
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: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -793.493310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.493310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.493310 (E_RNA)
where:
Base-Base interactions energy: -502.434
where: short stacking energy: -218.660
Base-Backbone interact. energy: -1.543
local terms energy: -289.516036
where:
bonds (distance) C4'-P energy: -61.481
bonds (distance) P-C4' energy: -72.711
flat angles C4'-P-C4' energy: -67.069
flat angles P-C4'-P energy: -35.698
tors. eta vs tors. theta energy: -52.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -720.700806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.700806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.700806 (E_RNA)
where:
Base-Base interactions energy: -461.535
where: short stacking energy: -196.692
Base-Backbone interact. energy: -0.965
local terms energy: -258.200052
where:
bonds (distance) C4'-P energy: -54.289
bonds (distance) P-C4' energy: -59.587
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -38.770
tors. eta vs tors. theta energy: -44.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -588.125321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.125321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.125321 (E_RNA)
where:
Base-Base interactions energy: -365.652
where: short stacking energy: -176.860
Base-Backbone interact. energy: 0.009
local terms energy: -222.482891
where:
bonds (distance) C4'-P energy: -41.585
bonds (distance) P-C4' energy: -56.771
flat angles C4'-P-C4' energy: -47.848
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -31.343
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: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -410.548071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.548071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.548071 (E_RNA)
where:
Base-Base interactions energy: -209.296
where: short stacking energy: -108.747
Base-Backbone interact. energy: -0.645
local terms energy: -200.606640
where:
bonds (distance) C4'-P energy: -58.147
bonds (distance) P-C4' energy: -63.743
flat angles C4'-P-C4' energy: -48.820
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: 2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -294.799809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.799809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.799809 (E_RNA)
where:
Base-Base interactions energy: -115.144
where: short stacking energy: -92.624
Base-Backbone interact. energy: 4.588
local terms energy: -184.243901
where:
bonds (distance) C4'-P energy: -49.047
bonds (distance) P-C4' energy: -58.068
flat angles C4'-P-C4' energy: -48.782
flat angles P-C4'-P energy: -26.829
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: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1171.753810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.753810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.753810 (E_RNA)
where:
Base-Base interactions energy: -821.501
where: short stacking energy: -316.628
Base-Backbone interact. energy: -0.991
local terms energy: -349.677415
where:
bonds (distance) C4'-P energy: -65.011
bonds (distance) P-C4' energy: -60.495
flat angles C4'-P-C4' energy: -72.782
flat angles P-C4'-P energy: -51.827
tors. eta vs tors. theta energy: -99.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.415 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1112.445297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.445297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.445297 (E_RNA)
where:
Base-Base interactions energy: -754.820
where: short stacking energy: -336.179
Base-Backbone interact. energy: 0.124
local terms energy: -357.748814
where:
bonds (distance) C4'-P energy: -64.938
bonds (distance) P-C4' energy: -67.612
flat angles C4'-P-C4' energy: -75.388
flat angles P-C4'-P energy: -45.970
tors. eta vs tors. theta energy: -103.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1020.525439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.525439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.525439 (E_RNA)
where:
Base-Base interactions energy: -695.968
where: short stacking energy: -295.741
Base-Backbone interact. energy: -0.939
local terms energy: -323.618955
where:
bonds (distance) C4'-P energy: -64.442
bonds (distance) P-C4' energy: -70.890
flat angles C4'-P-C4' energy: -59.211
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -87.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -933.488258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.488258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.488258 (E_RNA)
where:
Base-Base interactions energy: -604.097
where: short stacking energy: -261.529
Base-Backbone interact. energy: 0.305
local terms energy: -329.696500
where:
bonds (distance) C4'-P energy: -65.540
bonds (distance) P-C4' energy: -67.886
flat angles C4'-P-C4' energy: -69.262
flat angles P-C4'-P energy: -50.180
tors. eta vs tors. theta energy: -76.829
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: 473
Temperature: 1.100000
Total energy: -919.492491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.492491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.492491 (E_RNA)
where:
Base-Base interactions energy: -620.052
where: short stacking energy: -249.957
Base-Backbone interact. energy: -2.073
local terms energy: -297.367014
where:
bonds (distance) C4'-P energy: -52.297
bonds (distance) P-C4' energy: -59.589
flat angles C4'-P-C4' energy: -60.946
flat angles P-C4'-P energy: -46.829
tors. eta vs tors. theta energy: -77.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -767.583557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.583557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.583557 (E_RNA)
where:
Base-Base interactions energy: -480.885
where: short stacking energy: -222.756
Base-Backbone interact. energy: 0.564
local terms energy: -287.263003
where:
bonds (distance) C4'-P energy: -65.868
bonds (distance) P-C4' energy: -64.715
flat angles C4'-P-C4' energy: -65.150
flat angles P-C4'-P energy: -42.941
tors. eta vs tors. theta energy: -48.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -673.740923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.740923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.740923 (E_RNA)
where:
Base-Base interactions energy: -423.255
where: short stacking energy: -173.299
Base-Backbone interact. energy: -1.514
local terms energy: -248.972093
where:
bonds (distance) C4'-P energy: -56.672
bonds (distance) P-C4' energy: -68.526
flat angles C4'-P-C4' energy: -56.239
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -35.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -509.438686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.438686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.438686 (E_RNA)
where:
Base-Base interactions energy: -295.248
where: short stacking energy: -142.598
Base-Backbone interact. energy: 2.270
local terms energy: -216.460810
where:
bonds (distance) C4'-P energy: -54.190
bonds (distance) P-C4' energy: -56.558
flat angles C4'-P-C4' energy: -66.714
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -20.218
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: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -399.798670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.798670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.798670 (E_RNA)
where:
Base-Base interactions energy: -210.095
where: short stacking energy: -108.972
Base-Backbone interact. energy: 0.807
local terms energy: -190.510520
where:
bonds (distance) C4'-P energy: -51.520
bonds (distance) P-C4' energy: -66.634
flat angles C4'-P-C4' energy: -47.264
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -276.562659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.562659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.562659 (E_RNA)
where:
Base-Base interactions energy: -102.546
where: short stacking energy: -60.350
Base-Backbone interact. energy: 3.726
local terms energy: -182.406924
where:
bonds (distance) C4'-P energy: -53.565
bonds (distance) P-C4' energy: -62.628
flat angles C4'-P-C4' energy: -48.238
flat angles P-C4'-P energy: -35.282
tors. eta vs tors. theta energy: 17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.664 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1113.656585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.656585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.656585 (E_RNA)
where:
Base-Base interactions energy: -763.125
where: short stacking energy: -311.171
Base-Backbone interact. energy: -1.473
local terms energy: -349.058686
where:
bonds (distance) C4'-P energy: -66.182
bonds (distance) P-C4' energy: -72.170
flat angles C4'-P-C4' energy: -69.566
flat angles P-C4'-P energy: -50.008
tors. eta vs tors. theta energy: -91.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1123.801320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.801320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.801320 (E_RNA)
where:
Base-Base interactions energy: -775.504
where: short stacking energy: -299.853
Base-Backbone interact. energy: -0.218
local terms energy: -348.078400
where:
bonds (distance) C4'-P energy: -61.220
bonds (distance) P-C4' energy: -65.048
flat angles C4'-P-C4' energy: -71.890
flat angles P-C4'-P energy: -51.315
tors. eta vs tors. theta energy: -98.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1018.252267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.252267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.252267 (E_RNA)
where:
Base-Base interactions energy: -695.198
where: short stacking energy: -288.455
Base-Backbone interact. energy: -0.310
local terms energy: -322.744193
where:
bonds (distance) C4'-P energy: -57.735
bonds (distance) P-C4' energy: -58.801
flat angles C4'-P-C4' energy: -70.816
flat angles P-C4'-P energy: -43.568
tors. eta vs tors. theta energy: -91.824
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: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -901.005272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.005272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.005272 (E_RNA)
where:
Base-Base interactions energy: -609.528
where: short stacking energy: -252.372
Base-Backbone interact. energy: -2.682
local terms energy: -288.795494
where:
bonds (distance) C4'-P energy: -56.550
bonds (distance) P-C4' energy: -51.336
flat angles C4'-P-C4' energy: -71.885
flat angles P-C4'-P energy: -40.805
tors. eta vs tors. theta energy: -68.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -914.707615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.707615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.707615 (E_RNA)
where:
Base-Base interactions energy: -611.248
where: short stacking energy: -262.570
Base-Backbone interact. energy: -0.691
local terms energy: -302.769242
where:
bonds (distance) C4'-P energy: -64.323
bonds (distance) P-C4' energy: -52.777
flat angles C4'-P-C4' energy: -66.031
flat angles P-C4'-P energy: -42.440
tors. eta vs tors. theta energy: -77.198
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: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -820.350963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.350963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.350963 (E_RNA)
where:
Base-Base interactions energy: -542.097
where: short stacking energy: -247.413
Base-Backbone interact. energy: -0.708
local terms energy: -277.568485
where:
bonds (distance) C4'-P energy: -48.523
bonds (distance) P-C4' energy: -58.958
flat angles C4'-P-C4' energy: -62.857
flat angles P-C4'-P energy: -42.183
tors. eta vs tors. theta energy: -65.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.022 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -695.543708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.543708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.543708 (E_RNA)
where:
Base-Base interactions energy: -427.301
where: short stacking energy: -186.244
Base-Backbone interact. energy: -1.065
local terms energy: -267.177709
where:
bonds (distance) C4'-P energy: -58.731
bonds (distance) P-C4' energy: -62.442
flat angles C4'-P-C4' energy: -71.209
flat angles P-C4'-P energy: -30.067
tors. eta vs tors. theta energy: -44.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -534.142497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.142497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.142497 (E_RNA)
where:
Base-Base interactions energy: -312.923
where: short stacking energy: -152.070
Base-Backbone interact. energy: 1.096
local terms energy: -222.315538
where:
bonds (distance) C4'-P energy: -52.935
bonds (distance) P-C4' energy: -54.978
flat angles C4'-P-C4' energy: -54.993
flat angles P-C4'-P energy: -36.407
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -403.106582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.106582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.106582 (E_RNA)
where:
Base-Base interactions energy: -186.387
where: short stacking energy: -102.707
Base-Backbone interact. energy: -1.017
local terms energy: -215.703302
where:
bonds (distance) C4'-P energy: -64.226
bonds (distance) P-C4' energy: -57.250
flat angles C4'-P-C4' energy: -47.256
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: -13.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -263.127897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.127897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.127897 (E_RNA)
where:
Base-Base interactions energy: -77.131
where: short stacking energy: -62.318
Base-Backbone interact. energy: -0.703
local terms energy: -185.294169
where:
bonds (distance) C4'-P energy: -59.236
bonds (distance) P-C4' energy: -66.939
flat angles C4'-P-C4' energy: -38.675
flat angles P-C4'-P energy: -32.168
tors. eta vs tors. theta energy: 11.723
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: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1109.766350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.766350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.766350 (E_RNA)
where:
Base-Base interactions energy: -739.683
where: short stacking energy: -337.125
Base-Backbone interact. energy: -0.535
local terms energy: -369.548703
where:
bonds (distance) C4'-P energy: -66.878
bonds (distance) P-C4' energy: -72.916
flat angles C4'-P-C4' energy: -71.289
flat angles P-C4'-P energy: -54.542
tors. eta vs tors. theta energy: -103.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1156.552518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.552518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.552518 (E_RNA)
where:
Base-Base interactions energy: -808.830
where: short stacking energy: -317.262
Base-Backbone interact. energy: -2.124
local terms energy: -345.597883
where:
bonds (distance) C4'-P energy: -61.808
bonds (distance) P-C4' energy: -66.161
flat angles C4'-P-C4' energy: -65.846
flat angles P-C4'-P energy: -47.683
tors. eta vs tors. theta energy: -104.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1023.610283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.610283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.610283 (E_RNA)
where:
Base-Base interactions energy: -699.238
where: short stacking energy: -308.517
Base-Backbone interact. energy: -1.017
local terms energy: -323.355230
where:
bonds (distance) C4'-P energy: -60.397
bonds (distance) P-C4' energy: -72.209
flat angles C4'-P-C4' energy: -67.165
flat angles P-C4'-P energy: -42.868
tors. eta vs tors. theta energy: -80.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -897.874327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.874327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.874327 (E_RNA)
where:
Base-Base interactions energy: -592.130
where: short stacking energy: -254.307
Base-Backbone interact. energy: -0.054
local terms energy: -305.689996
where:
bonds (distance) C4'-P energy: -56.370
bonds (distance) P-C4' energy: -53.983
flat angles C4'-P-C4' energy: -71.637
flat angles P-C4'-P energy: -46.373
tors. eta vs tors. theta energy: -77.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -932.009274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.009274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.009274 (E_RNA)
where:
Base-Base interactions energy: -628.326
where: short stacking energy: -256.825
Base-Backbone interact. energy: 1.481
local terms energy: -305.164417
where:
bonds (distance) C4'-P energy: -59.016
bonds (distance) P-C4' energy: -61.968
flat angles C4'-P-C4' energy: -71.469
flat angles P-C4'-P energy: -42.930
tors. eta vs tors. theta energy: -69.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -795.346009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.346009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.346009 (E_RNA)
where:
Base-Base interactions energy: -500.998
where: short stacking energy: -223.025
Base-Backbone interact. energy: -1.161
local terms energy: -294.170493
where:
bonds (distance) C4'-P energy: -60.299
bonds (distance) P-C4' energy: -71.550
flat angles C4'-P-C4' energy: -57.421
flat angles P-C4'-P energy: -39.785
tors. eta vs tors. theta energy: -65.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.984 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -698.654281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.654281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.654281 (E_RNA)
where:
Base-Base interactions energy: -440.447
where: short stacking energy: -175.275
Base-Backbone interact. energy: -0.494
local terms energy: -257.712997
where:
bonds (distance) C4'-P energy: -65.252
bonds (distance) P-C4' energy: -57.712
flat angles C4'-P-C4' energy: -55.508
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -39.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -567.534152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.534152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.534152 (E_RNA)
where:
Base-Base interactions energy: -343.321
where: short stacking energy: -174.085
Base-Backbone interact. energy: -1.828
local terms energy: -222.385124
where:
bonds (distance) C4'-P energy: -48.489
bonds (distance) P-C4' energy: -52.397
flat angles C4'-P-C4' energy: -55.046
flat angles P-C4'-P energy: -32.120
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: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -424.890891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.890891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.890891 (E_RNA)
where:
Base-Base interactions energy: -215.348
where: short stacking energy: -101.473
Base-Backbone interact. energy: -0.501
local terms energy: -209.041723
where:
bonds (distance) C4'-P energy: -71.359
bonds (distance) P-C4' energy: -57.609
flat angles C4'-P-C4' energy: -47.450
flat angles P-C4'-P energy: -33.735
tors. eta vs tors. theta energy: 1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -254.541565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.541565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.541565 (E_RNA)
where:
Base-Base interactions energy: -81.525
where: short stacking energy: -73.946
Base-Backbone interact. energy: -1.222
local terms energy: -171.794376
where:
bonds (distance) C4'-P energy: -55.428
bonds (distance) P-C4' energy: -57.489
flat angles C4'-P-C4' energy: -43.917
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: 10.891
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: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1178.988055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.988055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.988055 (E_RNA)
where:
Base-Base interactions energy: -827.283
where: short stacking energy: -319.278
Base-Backbone interact. energy: -0.487
local terms energy: -351.947553
where:
bonds (distance) C4'-P energy: -62.067
bonds (distance) P-C4' energy: -71.338
flat angles C4'-P-C4' energy: -74.454
flat angles P-C4'-P energy: -40.939
tors. eta vs tors. theta energy: -103.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.729 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1114.798331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.798331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.798331 (E_RNA)
where:
Base-Base interactions energy: -746.811
where: short stacking energy: -299.334
Base-Backbone interact. energy: -2.453
local terms energy: -368.847041
where:
bonds (distance) C4'-P energy: -76.580
bonds (distance) P-C4' energy: -72.919
flat angles C4'-P-C4' energy: -74.219
flat angles P-C4'-P energy: -48.064
tors. eta vs tors. theta energy: -97.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.313 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1033.039986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.039986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.039986 (E_RNA)
where:
Base-Base interactions energy: -684.872
where: short stacking energy: -298.235
Base-Backbone interact. energy: -0.189
local terms energy: -347.978873
where:
bonds (distance) C4'-P energy: -61.800
bonds (distance) P-C4' energy: -67.307
flat angles C4'-P-C4' energy: -71.539
flat angles P-C4'-P energy: -58.382
tors. eta vs tors. theta energy: -88.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -919.182261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.182261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.182261 (E_RNA)
where:
Base-Base interactions energy: -607.922
where: short stacking energy: -270.785
Base-Backbone interact. energy: -1.751
local terms energy: -310.061106
where:
bonds (distance) C4'-P energy: -61.289
bonds (distance) P-C4' energy: -62.842
flat angles C4'-P-C4' energy: -63.230
flat angles P-C4'-P energy: -38.303
tors. eta vs tors. theta energy: -84.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.552 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -914.417792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.417792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.417792 (E_RNA)
where:
Base-Base interactions energy: -591.119
where: short stacking energy: -261.257
Base-Backbone interact. energy: -0.770
local terms energy: -322.529218
where:
bonds (distance) C4'-P energy: -67.532
bonds (distance) P-C4' energy: -64.945
flat angles C4'-P-C4' energy: -68.612
flat angles P-C4'-P energy: -41.765
tors. eta vs tors. theta energy: -79.676
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: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -790.114475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.114475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.114475 (E_RNA)
where:
Base-Base interactions energy: -500.216
where: short stacking energy: -230.731
Base-Backbone interact. energy: -0.238
local terms energy: -289.660863
where:
bonds (distance) C4'-P energy: -60.939
bonds (distance) P-C4' energy: -69.884
flat angles C4'-P-C4' energy: -55.504
flat angles P-C4'-P energy: -43.321
tors. eta vs tors. theta energy: -60.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -703.805609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.805609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.805609 (E_RNA)
where:
Base-Base interactions energy: -436.595
where: short stacking energy: -192.277
Base-Backbone interact. energy: 1.009
local terms energy: -268.220260
where:
bonds (distance) C4'-P energy: -63.696
bonds (distance) P-C4' energy: -69.532
flat angles C4'-P-C4' energy: -48.016
flat angles P-C4'-P energy: -38.102
tors. eta vs tors. theta energy: -48.875
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: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -570.300995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.300995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.300995 (E_RNA)
where:
Base-Base interactions energy: -332.351
where: short stacking energy: -154.163
Base-Backbone interact. energy: -1.126
local terms energy: -236.823726
where:
bonds (distance) C4'-P energy: -56.429
bonds (distance) P-C4' energy: -57.552
flat angles C4'-P-C4' energy: -55.095
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -27.969
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: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -380.439043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.439043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.439043 (E_RNA)
where:
Base-Base interactions energy: -176.669
where: short stacking energy: -105.953
Base-Backbone interact. energy: 1.935
local terms energy: -205.704787
where:
bonds (distance) C4'-P energy: -53.791
bonds (distance) P-C4' energy: -65.574
flat angles C4'-P-C4' energy: -53.103
flat angles P-C4'-P energy: -32.359
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -252.837485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.837485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.837485 (E_RNA)
where:
Base-Base interactions energy: -63.846
where: short stacking energy: -57.600
Base-Backbone interact. energy: -0.570
local terms energy: -188.420983
where:
bonds (distance) C4'-P energy: -63.167
bonds (distance) P-C4' energy: -53.248
flat angles C4'-P-C4' energy: -63.047
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: 14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1162.567219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.567219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.567219 (E_RNA)
where:
Base-Base interactions energy: -804.276
where: short stacking energy: -330.478
Base-Backbone interact. energy: -1.019
local terms energy: -357.720077
where:
bonds (distance) C4'-P energy: -72.171
bonds (distance) P-C4' energy: -65.387
flat angles C4'-P-C4' energy: -68.370
flat angles P-C4'-P energy: -47.602
tors. eta vs tors. theta energy: -104.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.448 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1129.190750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.190750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.190750 (E_RNA)
where:
Base-Base interactions energy: -773.672
where: short stacking energy: -300.117
Base-Backbone interact. energy: -1.430
local terms energy: -354.089539
where:
bonds (distance) C4'-P energy: -68.413
bonds (distance) P-C4' energy: -69.305
flat angles C4'-P-C4' energy: -74.762
flat angles P-C4'-P energy: -53.708
tors. eta vs tors. theta energy: -87.902
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: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1024.753077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.753077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.753077 (E_RNA)
where:
Base-Base interactions energy: -693.472
where: short stacking energy: -266.954
Base-Backbone interact. energy: -2.118
local terms energy: -329.162640
where:
bonds (distance) C4'-P energy: -60.490
bonds (distance) P-C4' energy: -63.381
flat angles C4'-P-C4' energy: -73.303
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -84.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -965.548616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.548616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.548616 (E_RNA)
where:
Base-Base interactions energy: -631.854
where: short stacking energy: -306.123
Base-Backbone interact. energy: 4.136
local terms energy: -337.830740
where:
bonds (distance) C4'-P energy: -61.640
bonds (distance) P-C4' energy: -61.576
flat angles C4'-P-C4' energy: -71.726
flat angles P-C4'-P energy: -54.145
tors. eta vs tors. theta energy: -88.743
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: 477
Temperature: 1.100000
Total energy: -898.103003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.103003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.103003 (E_RNA)
where:
Base-Base interactions energy: -580.291
where: short stacking energy: -251.942
Base-Backbone interact. energy: -1.113
local terms energy: -316.698893
where:
bonds (distance) C4'-P energy: -61.645
bonds (distance) P-C4' energy: -65.181
flat angles C4'-P-C4' energy: -69.720
flat angles P-C4'-P energy: -47.418
tors. eta vs tors. theta energy: -72.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -707.238259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.238259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.238259 (E_RNA)
where:
Base-Base interactions energy: -465.373
where: short stacking energy: -196.501
Base-Backbone interact. energy: 0.204
local terms energy: -242.069870
where:
bonds (distance) C4'-P energy: -41.703
bonds (distance) P-C4' energy: -57.146
flat angles C4'-P-C4' energy: -56.011
flat angles P-C4'-P energy: -40.926
tors. eta vs tors. theta energy: -46.284
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: 477
Temperature: 1.200000
Total energy: -724.562605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.562605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.562605 (E_RNA)
where:
Base-Base interactions energy: -447.132
where: short stacking energy: -205.423
Base-Backbone interact. energy: 0.799
local terms energy: -278.229864
where:
bonds (distance) C4'-P energy: -58.274
bonds (distance) P-C4' energy: -69.769
flat angles C4'-P-C4' energy: -62.404
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: -57.421
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: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -584.819142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.819142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.819142 (E_RNA)
where:
Base-Base interactions energy: -358.551
where: short stacking energy: -183.015
Base-Backbone interact. energy: -1.713
local terms energy: -224.555223
where:
bonds (distance) C4'-P energy: -49.253
bonds (distance) P-C4' energy: -57.053
flat angles C4'-P-C4' energy: -50.306
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -33.140
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: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -338.043196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.043196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.043196 (E_RNA)
where:
Base-Base interactions energy: -162.771
where: short stacking energy: -93.986
Base-Backbone interact. energy: 0.601
local terms energy: -175.873215
where:
bonds (distance) C4'-P energy: -55.224
bonds (distance) P-C4' energy: -51.757
flat angles C4'-P-C4' energy: -49.242
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: 6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -267.312491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.312491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.312491 (E_RNA)
where:
Base-Base interactions energy: -84.011
where: short stacking energy: -70.344
Base-Backbone interact. energy: -0.813
local terms energy: -182.488491
where:
bonds (distance) C4'-P energy: -52.046
bonds (distance) P-C4' energy: -58.961
flat angles C4'-P-C4' energy: -60.163
flat angles P-C4'-P energy: -29.026
tors. eta vs tors. theta energy: 17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1178.899340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.899340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.899340 (E_RNA)
where:
Base-Base interactions energy: -823.048
where: short stacking energy: -340.526
Base-Backbone interact. energy: 2.317
local terms energy: -358.168188
where:
bonds (distance) C4'-P energy: -65.377
bonds (distance) P-C4' energy: -55.292
flat angles C4'-P-C4' energy: -70.681
flat angles P-C4'-P energy: -55.715
tors. eta vs tors. theta energy: -111.103
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: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1121.160134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.160134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.160134 (E_RNA)
where:
Base-Base interactions energy: -761.076
where: short stacking energy: -309.134
Base-Backbone interact. energy: -1.187
local terms energy: -358.897171
where:
bonds (distance) C4'-P energy: -66.846
bonds (distance) P-C4' energy: -57.271
flat angles C4'-P-C4' energy: -76.971
flat angles P-C4'-P energy: -54.254
tors. eta vs tors. theta energy: -103.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1001.992782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.992782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.992782 (E_RNA)
where:
Base-Base interactions energy: -683.507
where: short stacking energy: -281.345
Base-Backbone interact. energy: -1.085
local terms energy: -317.400096
where:
bonds (distance) C4'-P energy: -55.645
bonds (distance) P-C4' energy: -69.033
flat angles C4'-P-C4' energy: -72.260
flat angles P-C4'-P energy: -43.123
tors. eta vs tors. theta energy: -77.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -948.364584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.364584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.364584 (E_RNA)
where:
Base-Base interactions energy: -645.216
where: short stacking energy: -275.528
Base-Backbone interact. energy: 1.004
local terms energy: -304.152976
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -62.299
flat angles C4'-P-C4' energy: -56.457
flat angles P-C4'-P energy: -44.309
tors. eta vs tors. theta energy: -76.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -861.546600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.546600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.546600 (E_RNA)
where:
Base-Base interactions energy: -559.925
where: short stacking energy: -223.018
Base-Backbone interact. energy: 0.189
local terms energy: -301.810582
where:
bonds (distance) C4'-P energy: -60.465
bonds (distance) P-C4' energy: -65.291
flat angles C4'-P-C4' energy: -68.666
flat angles P-C4'-P energy: -46.652
tors. eta vs tors. theta energy: -60.736
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: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -697.317456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.317456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.317456 (E_RNA)
where:
Base-Base interactions energy: -416.728
where: short stacking energy: -168.757
Base-Backbone interact. energy: -0.750
local terms energy: -279.840031
where:
bonds (distance) C4'-P energy: -55.982
bonds (distance) P-C4' energy: -70.106
flat angles C4'-P-C4' energy: -71.082
flat angles P-C4'-P energy: -39.882
tors. eta vs tors. theta energy: -42.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -683.663489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.663489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.663489 (E_RNA)
where:
Base-Base interactions energy: -437.832
where: short stacking energy: -197.251
Base-Backbone interact. energy: 0.805
local terms energy: -246.635978
where:
bonds (distance) C4'-P energy: -62.084
bonds (distance) P-C4' energy: -64.188
flat angles C4'-P-C4' energy: -53.023
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -47.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -504.118175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.118175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.118175 (E_RNA)
where:
Base-Base interactions energy: -293.044
where: short stacking energy: -146.538
Base-Backbone interact. energy: -1.131
local terms energy: -209.943126
where:
bonds (distance) C4'-P energy: -50.421
bonds (distance) P-C4' energy: -62.112
flat angles C4'-P-C4' energy: -52.635
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -377.913012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.913012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.913012 (E_RNA)
where:
Base-Base interactions energy: -177.229
where: short stacking energy: -112.890
Base-Backbone interact. energy: -0.754
local terms energy: -199.929835
where:
bonds (distance) C4'-P energy: -44.690
bonds (distance) P-C4' energy: -62.963
flat angles C4'-P-C4' energy: -46.746
flat angles P-C4'-P energy: -38.707
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -285.399083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.399083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.399083 (E_RNA)
where:
Base-Base interactions energy: -115.464
where: short stacking energy: -85.265
Base-Backbone interact. energy: 3.205
local terms energy: -173.140580
where:
bonds (distance) C4'-P energy: -39.013
bonds (distance) P-C4' energy: -68.772
flat angles C4'-P-C4' energy: -45.354
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: 0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1180.866723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.866723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.866723 (E_RNA)
where:
Base-Base interactions energy: -820.545
where: short stacking energy: -339.711
Base-Backbone interact. energy: -1.251
local terms energy: -359.070660
where:
bonds (distance) C4'-P energy: -62.460
bonds (distance) P-C4' energy: -67.640
flat angles C4'-P-C4' energy: -74.526
flat angles P-C4'-P energy: -52.803
tors. eta vs tors. theta energy: -101.642
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: 2, replica: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1106.950851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.950851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.950851 (E_RNA)
where:
Base-Base interactions energy: -766.009
where: short stacking energy: -301.867
Base-Backbone interact. energy: 2.240
local terms energy: -344.582564
where:
bonds (distance) C4'-P energy: -62.823
bonds (distance) P-C4' energy: -75.294
flat angles C4'-P-C4' energy: -70.819
flat angles P-C4'-P energy: -43.342
tors. eta vs tors. theta energy: -92.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.401 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -996.443559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.443559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.443559 (E_RNA)
where:
Base-Base interactions energy: -689.608
where: short stacking energy: -282.106
Base-Backbone interact. energy: -0.030
local terms energy: -306.805457
where:
bonds (distance) C4'-P energy: -49.842
bonds (distance) P-C4' energy: -60.032
flat angles C4'-P-C4' energy: -63.936
flat angles P-C4'-P energy: -46.833
tors. eta vs tors. theta energy: -86.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -928.006752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.006752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.006752 (E_RNA)
where:
Base-Base interactions energy: -608.050
where: short stacking energy: -273.724
Base-Backbone interact. energy: -0.480
local terms energy: -319.476448
where:
bonds (distance) C4'-P energy: -63.721
bonds (distance) P-C4' energy: -58.633
flat angles C4'-P-C4' energy: -67.944
flat angles P-C4'-P energy: -45.518
tors. eta vs tors. theta energy: -83.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -876.886567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.886567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.886567 (E_RNA)
where:
Base-Base interactions energy: -582.909
where: short stacking energy: -253.919
Base-Backbone interact. energy: -0.748
local terms energy: -293.240492
where:
bonds (distance) C4'-P energy: -49.639
bonds (distance) P-C4' energy: -62.723
flat angles C4'-P-C4' energy: -69.601
flat angles P-C4'-P energy: -45.031
tors. eta vs tors. theta energy: -66.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.011 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -742.017999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.017999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.017999 (E_RNA)
where:
Base-Base interactions energy: -487.083
where: short stacking energy: -204.398
Base-Backbone interact. energy: 1.458
local terms energy: -256.392251
where:
bonds (distance) C4'-P energy: -60.382
bonds (distance) P-C4' energy: -64.754
flat angles C4'-P-C4' energy: -52.460
flat angles P-C4'-P energy: -39.312
tors. eta vs tors. theta energy: -39.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -602.079711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.079711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.079711 (E_RNA)
where:
Base-Base interactions energy: -354.973
where: short stacking energy: -164.057
Base-Backbone interact. energy: -2.102
local terms energy: -245.004736
where:
bonds (distance) C4'-P energy: -54.288
bonds (distance) P-C4' energy: -63.677
flat angles C4'-P-C4' energy: -55.022
flat angles P-C4'-P energy: -40.441
tors. eta vs tors. theta energy: -31.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -521.602142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.602142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.602142 (E_RNA)
where:
Base-Base interactions energy: -307.903
where: short stacking energy: -132.487
Base-Backbone interact. energy: 2.748
local terms energy: -216.447673
where:
bonds (distance) C4'-P energy: -48.613
bonds (distance) P-C4' energy: -70.362
flat angles C4'-P-C4' energy: -51.076
flat angles P-C4'-P energy: -32.447
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: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -347.621163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.621163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.621163 (E_RNA)
where:
Base-Base interactions energy: -153.875
where: short stacking energy: -104.862
Base-Backbone interact. energy: 0.090
local terms energy: -193.836221
where:
bonds (distance) C4'-P energy: -52.020
bonds (distance) P-C4' energy: -56.676
flat angles C4'-P-C4' energy: -37.711
flat angles P-C4'-P energy: -34.263
tors. eta vs tors. theta energy: -13.165
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: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -285.527067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.527067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.527067 (E_RNA)
where:
Base-Base interactions energy: -105.554
where: short stacking energy: -67.470
Base-Backbone interact. energy: 3.266
local terms energy: -183.238686
where:
bonds (distance) C4'-P energy: -47.642
bonds (distance) P-C4' energy: -65.252
flat angles C4'-P-C4' energy: -47.165
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1187.071930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.071930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.071930 (E_RNA)
where:
Base-Base interactions energy: -820.635
where: short stacking energy: -318.876
Base-Backbone interact. energy: 0.594
local terms energy: -367.031060
where:
bonds (distance) C4'-P energy: -65.558
bonds (distance) P-C4' energy: -64.830
flat angles C4'-P-C4' energy: -73.847
flat angles P-C4'-P energy: -56.881
tors. eta vs tors. theta energy: -105.916
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: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1123.926543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.926543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.926543 (E_RNA)
where:
Base-Base interactions energy: -754.294
where: short stacking energy: -311.430
Base-Backbone interact. energy: -1.058
local terms energy: -368.574381
where:
bonds (distance) C4'-P energy: -68.952
bonds (distance) P-C4' energy: -73.987
flat angles C4'-P-C4' energy: -75.119
flat angles P-C4'-P energy: -55.976
tors. eta vs tors. theta energy: -94.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1021.095482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.095482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.095482 (E_RNA)
where:
Base-Base interactions energy: -690.715
where: short stacking energy: -288.627
Base-Backbone interact. energy: -0.352
local terms energy: -330.028589
where:
bonds (distance) C4'-P energy: -58.391
bonds (distance) P-C4' energy: -69.222
flat angles C4'-P-C4' energy: -68.000
flat angles P-C4'-P energy: -48.248
tors. eta vs tors. theta energy: -86.167
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: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -964.499236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.499236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.499236 (E_RNA)
where:
Base-Base interactions energy: -645.279
where: short stacking energy: -267.386
Base-Backbone interact. energy: -1.594
local terms energy: -317.696283
where:
bonds (distance) C4'-P energy: -51.614
bonds (distance) P-C4' energy: -59.610
flat angles C4'-P-C4' energy: -69.199
flat angles P-C4'-P energy: -44.812
tors. eta vs tors. theta energy: -92.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.070 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -862.564743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.564743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.564743 (E_RNA)
where:
Base-Base interactions energy: -576.305
where: short stacking energy: -247.502
Base-Backbone interact. energy: 0.055
local terms energy: -286.314206
where:
bonds (distance) C4'-P energy: -55.316
bonds (distance) P-C4' energy: -49.585
flat angles C4'-P-C4' energy: -75.374
flat angles P-C4'-P energy: -41.043
tors. eta vs tors. theta energy: -64.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -721.250982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.250982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.250982 (E_RNA)
where:
Base-Base interactions energy: -449.825
where: short stacking energy: -202.910
Base-Backbone interact. energy: -1.376
local terms energy: -270.050493
where:
bonds (distance) C4'-P energy: -51.665
bonds (distance) P-C4' energy: -68.511
flat angles C4'-P-C4' energy: -60.391
flat angles P-C4'-P energy: -38.140
tors. eta vs tors. theta energy: -51.343
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: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -627.349295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.349295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.349295 (E_RNA)
where:
Base-Base interactions energy: -378.744
where: short stacking energy: -179.766
Base-Backbone interact. energy: 1.167
local terms energy: -249.772531
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -69.011
flat angles C4'-P-C4' energy: -57.377
flat angles P-C4'-P energy: -39.574
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: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -498.627637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.627637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.627637 (E_RNA)
where:
Base-Base interactions energy: -268.507
where: short stacking energy: -121.875
Base-Backbone interact. energy: -2.313
local terms energy: -227.808513
where:
bonds (distance) C4'-P energy: -43.415
bonds (distance) P-C4' energy: -71.746
flat angles C4'-P-C4' energy: -61.210
flat angles P-C4'-P energy: -34.913
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -289.630630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.630630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.630630 (E_RNA)
where:
Base-Base interactions energy: -102.277
where: short stacking energy: -89.515
Base-Backbone interact. energy: -1.161
local terms energy: -186.192964
where:
bonds (distance) C4'-P energy: -51.337
bonds (distance) P-C4' energy: -65.254
flat angles C4'-P-C4' energy: -41.827
flat angles P-C4'-P energy: -34.563
tors. eta vs tors. theta energy: 6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -263.569972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.569972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.569972 (E_RNA)
where:
Base-Base interactions energy: -87.928
where: short stacking energy: -74.231
Base-Backbone interact. energy: 2.620
local terms energy: -178.262818
where:
bonds (distance) C4'-P energy: -61.922
bonds (distance) P-C4' energy: -46.842
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -37.964
tors. eta vs tors. theta energy: 4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1174.810237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.810237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.810237 (E_RNA)
where:
Base-Base interactions energy: -808.522
where: short stacking energy: -337.017
Base-Backbone interact. energy: -0.707
local terms energy: -365.580757
where:
bonds (distance) C4'-P energy: -59.440
bonds (distance) P-C4' energy: -68.097
flat angles C4'-P-C4' energy: -74.852
flat angles P-C4'-P energy: -55.561
tors. eta vs tors. theta energy: -107.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1118.211056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.211056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.211056 (E_RNA)
where:
Base-Base interactions energy: -759.183
where: short stacking energy: -321.418
Base-Backbone interact. energy: 0.006
local terms energy: -359.158098
where:
bonds (distance) C4'-P energy: -60.386
bonds (distance) P-C4' energy: -64.850
flat angles C4'-P-C4' energy: -74.750
flat angles P-C4'-P energy: -57.195
tors. eta vs tors. theta energy: -101.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.124 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1011.217476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.217476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.217476 (E_RNA)
where:
Base-Base interactions energy: -679.597
where: short stacking energy: -290.494
Base-Backbone interact. energy: -1.158
local terms energy: -330.462364
where:
bonds (distance) C4'-P energy: -50.939
bonds (distance) P-C4' energy: -73.184
flat angles C4'-P-C4' energy: -67.864
flat angles P-C4'-P energy: -51.308
tors. eta vs tors. theta energy: -87.166
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: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -940.862771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.862771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.862771 (E_RNA)
where:
Base-Base interactions energy: -627.034
where: short stacking energy: -289.857
Base-Backbone interact. energy: 1.405
local terms energy: -315.234091
where:
bonds (distance) C4'-P energy: -64.854
bonds (distance) P-C4' energy: -59.243
flat angles C4'-P-C4' energy: -63.475
flat angles P-C4'-P energy: -46.076
tors. eta vs tors. theta energy: -81.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -813.891423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.891423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.891423 (E_RNA)
where:
Base-Base interactions energy: -535.711
where: short stacking energy: -216.232
Base-Backbone interact. energy: 0.334
local terms energy: -278.514568
where:
bonds (distance) C4'-P energy: -46.533
bonds (distance) P-C4' energy: -61.910
flat angles C4'-P-C4' energy: -72.752
flat angles P-C4'-P energy: -36.965
tors. eta vs tors. theta energy: -60.355
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: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -724.935744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.935744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.935744 (E_RNA)
where:
Base-Base interactions energy: -476.939
where: short stacking energy: -197.794
Base-Backbone interact. energy: -1.045
local terms energy: -246.951219
where:
bonds (distance) C4'-P energy: -51.067
bonds (distance) P-C4' energy: -60.219
flat angles C4'-P-C4' energy: -51.788
flat angles P-C4'-P energy: -34.400
tors. eta vs tors. theta energy: -49.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -633.499446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.499446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.499446 (E_RNA)
where:
Base-Base interactions energy: -381.216
where: short stacking energy: -182.571
Base-Backbone interact. energy: -0.486
local terms energy: -251.798112
where:
bonds (distance) C4'-P energy: -53.875
bonds (distance) P-C4' energy: -62.960
flat angles C4'-P-C4' energy: -68.312
flat angles P-C4'-P energy: -32.441
tors. eta vs tors. theta energy: -34.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -506.866499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.866499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.866499 (E_RNA)
where:
Base-Base interactions energy: -279.486
where: short stacking energy: -137.349
Base-Backbone interact. energy: 1.202
local terms energy: -228.582957
where:
bonds (distance) C4'-P energy: -63.436
bonds (distance) P-C4' energy: -59.813
flat angles C4'-P-C4' energy: -60.099
flat angles P-C4'-P energy: -34.581
tors. eta vs tors. theta energy: -10.653
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: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -280.676945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.676945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.676945 (E_RNA)
where:
Base-Base interactions energy: -104.674
where: short stacking energy: -71.608
Base-Backbone interact. energy: 0.839
local terms energy: -176.842560
where:
bonds (distance) C4'-P energy: -53.144
bonds (distance) P-C4' energy: -58.292
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -35.942
tors. eta vs tors. theta energy: 5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -274.202081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.202081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.202081 (E_RNA)
where:
Base-Base interactions energy: -90.516
where: short stacking energy: -66.963
Base-Backbone interact. energy: 6.602
local terms energy: -190.288130
where:
bonds (distance) C4'-P energy: -57.325
bonds (distance) P-C4' energy: -59.268
flat angles C4'-P-C4' energy: -54.456
flat angles P-C4'-P energy: -32.372
tors. eta vs tors. theta energy: 13.134
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: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1165.807874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.807874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.807874 (E_RNA)
where:
Base-Base interactions energy: -804.097
where: short stacking energy: -308.444
Base-Backbone interact. energy: -0.575
local terms energy: -361.135968
where:
bonds (distance) C4'-P energy: -68.814
bonds (distance) P-C4' energy: -71.337
flat angles C4'-P-C4' energy: -68.332
flat angles P-C4'-P energy: -48.942
tors. eta vs tors. theta energy: -103.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1132.634290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.634290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.634290 (E_RNA)
where:
Base-Base interactions energy: -759.866
where: short stacking energy: -303.388
Base-Backbone interact. energy: -2.668
local terms energy: -370.821647
where:
bonds (distance) C4'-P energy: -68.534
bonds (distance) P-C4' energy: -68.307
flat angles C4'-P-C4' energy: -79.744
flat angles P-C4'-P energy: -57.248
tors. eta vs tors. theta energy: -96.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.721 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1013.361331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.361331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.361331 (E_RNA)
where:
Base-Base interactions energy: -684.636
where: short stacking energy: -287.702
Base-Backbone interact. energy: -2.001
local terms energy: -326.725146
where:
bonds (distance) C4'-P energy: -63.003
bonds (distance) P-C4' energy: -61.709
flat angles C4'-P-C4' energy: -70.988
flat angles P-C4'-P energy: -54.827
tors. eta vs tors. theta energy: -76.198
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: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -920.685249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.685249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.685249 (E_RNA)
where:
Base-Base interactions energy: -603.371
where: short stacking energy: -270.160
Base-Backbone interact. energy: -0.876
local terms energy: -316.437807
where:
bonds (distance) C4'-P energy: -66.855
bonds (distance) P-C4' energy: -59.818
flat angles C4'-P-C4' energy: -74.422
flat angles P-C4'-P energy: -41.079
tors. eta vs tors. theta energy: -74.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -865.714733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.714733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.714733 (E_RNA)
where:
Base-Base interactions energy: -571.614
where: short stacking energy: -252.644
Base-Backbone interact. energy: -0.051
local terms energy: -294.049331
where:
bonds (distance) C4'-P energy: -62.514
bonds (distance) P-C4' energy: -67.478
flat angles C4'-P-C4' energy: -62.433
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -68.038
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: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -727.773806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.773806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.773806 (E_RNA)
where:
Base-Base interactions energy: -461.322
where: short stacking energy: -198.952
Base-Backbone interact. energy: -0.347
local terms energy: -266.104656
where:
bonds (distance) C4'-P energy: -64.720
bonds (distance) P-C4' energy: -66.114
flat angles C4'-P-C4' energy: -57.971
flat angles P-C4'-P energy: -34.054
tors. eta vs tors. theta energy: -43.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -611.978446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.978446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.978446 (E_RNA)
where:
Base-Base interactions energy: -367.488
where: short stacking energy: -174.233
Base-Backbone interact. energy: 2.212
local terms energy: -246.702899
where:
bonds (distance) C4'-P energy: -56.598
bonds (distance) P-C4' energy: -59.852
flat angles C4'-P-C4' energy: -59.521
flat angles P-C4'-P energy: -37.668
tors. eta vs tors. theta energy: -33.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -499.378379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.378379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.378379 (E_RNA)
where:
Base-Base interactions energy: -284.431
where: short stacking energy: -126.448
Base-Backbone interact. energy: -1.032
local terms energy: -213.915461
where:
bonds (distance) C4'-P energy: -61.269
bonds (distance) P-C4' energy: -54.640
flat angles C4'-P-C4' energy: -49.818
flat angles P-C4'-P energy: -38.138
tors. eta vs tors. theta energy: -10.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -306.962598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.962598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.962598 (E_RNA)
where:
Base-Base interactions energy: -119.265
where: short stacking energy: -94.015
Base-Backbone interact. energy: 0.024
local terms energy: -187.721502
where:
bonds (distance) C4'-P energy: -37.252
bonds (distance) P-C4' energy: -62.327
flat angles C4'-P-C4' energy: -53.696
flat angles P-C4'-P energy: -36.807
tors. eta vs tors. theta energy: 2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -271.266891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.266891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.266891 (E_RNA)
where:
Base-Base interactions energy: -76.804
where: short stacking energy: -68.224
Base-Backbone interact. energy: 1.251
local terms energy: -195.713270
where:
bonds (distance) C4'-P energy: -65.627
bonds (distance) P-C4' energy: -63.219
flat angles C4'-P-C4' energy: -52.047
flat angles P-C4'-P energy: -23.823
tors. eta vs tors. theta energy: 9.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1176.943789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.943789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.943789 (E_RNA)
where:
Base-Base interactions energy: -818.613
where: short stacking energy: -329.074
Base-Backbone interact. energy: 0.713
local terms energy: -359.043478
where:
bonds (distance) C4'-P energy: -62.888
bonds (distance) P-C4' energy: -64.594
flat angles C4'-P-C4' energy: -75.764
flat angles P-C4'-P energy: -51.316
tors. eta vs tors. theta energy: -104.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1106.833175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.833175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.833175 (E_RNA)
where:
Base-Base interactions energy: -757.853
where: short stacking energy: -321.522
Base-Backbone interact. energy: -0.167
local terms energy: -348.812215
where:
bonds (distance) C4'-P energy: -69.013
bonds (distance) P-C4' energy: -60.358
flat angles C4'-P-C4' energy: -75.954
flat angles P-C4'-P energy: -46.762
tors. eta vs tors. theta energy: -96.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1017.704120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.704120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.704120 (E_RNA)
where:
Base-Base interactions energy: -707.197
where: short stacking energy: -291.799
Base-Backbone interact. energy: -0.588
local terms energy: -309.918767
where:
bonds (distance) C4'-P energy: -64.543
bonds (distance) P-C4' energy: -59.443
flat angles C4'-P-C4' energy: -60.387
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -81.539
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: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -922.471609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.471609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.471609 (E_RNA)
where:
Base-Base interactions energy: -621.608
where: short stacking energy: -252.530
Base-Backbone interact. energy: -0.584
local terms energy: -300.279636
where:
bonds (distance) C4'-P energy: -68.633
bonds (distance) P-C4' energy: -56.530
flat angles C4'-P-C4' energy: -61.539
flat angles P-C4'-P energy: -43.176
tors. eta vs tors. theta energy: -70.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -861.184011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.184011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.184011 (E_RNA)
where:
Base-Base interactions energy: -574.603
where: short stacking energy: -253.925
Base-Backbone interact. energy: -0.911
local terms energy: -285.669269
where:
bonds (distance) C4'-P energy: -63.437
bonds (distance) P-C4' energy: -60.223
flat angles C4'-P-C4' energy: -61.678
flat angles P-C4'-P energy: -36.813
tors. eta vs tors. theta energy: -63.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -724.368251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.368251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.368251 (E_RNA)
where:
Base-Base interactions energy: -460.056
where: short stacking energy: -206.732
Base-Backbone interact. energy: -0.347
local terms energy: -263.964798
where:
bonds (distance) C4'-P energy: -57.333
bonds (distance) P-C4' energy: -59.354
flat angles C4'-P-C4' energy: -56.189
flat angles P-C4'-P energy: -40.268
tors. eta vs tors. theta energy: -50.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -614.416135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.416135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.416135 (E_RNA)
where:
Base-Base interactions energy: -379.204
where: short stacking energy: -153.125
Base-Backbone interact. energy: -0.084
local terms energy: -235.128411
where:
bonds (distance) C4'-P energy: -59.390
bonds (distance) P-C4' energy: -62.554
flat angles C4'-P-C4' energy: -59.897
flat angles P-C4'-P energy: -28.938
tors. eta vs tors. theta energy: -24.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -469.305453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.305453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.305453 (E_RNA)
where:
Base-Base interactions energy: -240.389
where: short stacking energy: -130.636
Base-Backbone interact. energy: 2.302
local terms energy: -231.218917
where:
bonds (distance) C4'-P energy: -50.484
bonds (distance) P-C4' energy: -60.395
flat angles C4'-P-C4' energy: -46.543
flat angles P-C4'-P energy: -37.845
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: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -300.197001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.197001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.197001 (E_RNA)
where:
Base-Base interactions energy: -92.710
where: short stacking energy: -75.308
Base-Backbone interact. energy: -1.678
local terms energy: -205.808784
where:
bonds (distance) C4'-P energy: -60.284
bonds (distance) P-C4' energy: -67.612
flat angles C4'-P-C4' energy: -46.160
flat angles P-C4'-P energy: -29.276
tors. eta vs tors. theta energy: -2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -282.642979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.642979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.642979 (E_RNA)
where:
Base-Base interactions energy: -111.368
where: short stacking energy: -79.460
Base-Backbone interact. energy: 0.179
local terms energy: -171.454650
where:
bonds (distance) C4'-P energy: -54.490
bonds (distance) P-C4' energy: -56.283
flat angles C4'-P-C4' energy: -35.177
flat angles P-C4'-P energy: -26.402
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1177.206489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.206489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.206489 (E_RNA)
where:
Base-Base interactions energy: -795.554
where: short stacking energy: -317.629
Base-Backbone interact. energy: -0.065
local terms energy: -381.587931
where:
bonds (distance) C4'-P energy: -71.750
bonds (distance) P-C4' energy: -76.156
flat angles C4'-P-C4' energy: -76.820
flat angles P-C4'-P energy: -52.859
tors. eta vs tors. theta energy: -104.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1101.190317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.190317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.190317 (E_RNA)
where:
Base-Base interactions energy: -738.155
where: short stacking energy: -317.500
Base-Backbone interact. energy: -0.538
local terms energy: -362.995915
where:
bonds (distance) C4'-P energy: -69.509
bonds (distance) P-C4' energy: -67.065
flat angles C4'-P-C4' energy: -77.062
flat angles P-C4'-P energy: -51.580
tors. eta vs tors. theta energy: -97.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.499 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1014.946911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.946911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.946911 (E_RNA)
where:
Base-Base interactions energy: -687.050
where: short stacking energy: -292.836
Base-Backbone interact. energy: 0.062
local terms energy: -327.958958
where:
bonds (distance) C4'-P energy: -60.346
bonds (distance) P-C4' energy: -65.552
flat angles C4'-P-C4' energy: -64.419
flat angles P-C4'-P energy: -47.080
tors. eta vs tors. theta energy: -90.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -898.598879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.598879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.598879 (E_RNA)
where:
Base-Base interactions energy: -579.346
where: short stacking energy: -263.242
Base-Backbone interact. energy: -1.588
local terms energy: -317.664213
where:
bonds (distance) C4'-P energy: -50.341
bonds (distance) P-C4' energy: -69.950
flat angles C4'-P-C4' energy: -61.876
flat angles P-C4'-P energy: -52.922
tors. eta vs tors. theta energy: -82.575
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: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -828.861919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.861919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.861919 (E_RNA)
where:
Base-Base interactions energy: -557.584
where: short stacking energy: -234.242
Base-Backbone interact. energy: -0.753
local terms energy: -270.525351
where:
bonds (distance) C4'-P energy: -47.151
bonds (distance) P-C4' energy: -57.877
flat angles C4'-P-C4' energy: -61.957
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: -60.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -735.083716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.083716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.083716 (E_RNA)
where:
Base-Base interactions energy: -488.536
where: short stacking energy: -214.553
Base-Backbone interact. energy: 1.182
local terms energy: -247.729107
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -57.370
flat angles C4'-P-C4' energy: -59.849
flat angles P-C4'-P energy: -33.347
tors. eta vs tors. theta energy: -47.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -581.910021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.910021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.910021 (E_RNA)
where:
Base-Base interactions energy: -342.430
where: short stacking energy: -154.862
Base-Backbone interact. energy: 0.733
local terms energy: -240.212519
where:
bonds (distance) C4'-P energy: -60.831
bonds (distance) P-C4' energy: -48.745
flat angles C4'-P-C4' energy: -56.945
flat angles P-C4'-P energy: -39.037
tors. eta vs tors. theta energy: -34.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -450.644818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.644818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.644818 (E_RNA)
where:
Base-Base interactions energy: -229.725
where: short stacking energy: -127.924
Base-Backbone interact. energy: 2.004
local terms energy: -222.923920
where:
bonds (distance) C4'-P energy: -59.843
bonds (distance) P-C4' energy: -47.827
flat angles C4'-P-C4' energy: -53.060
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -289.494605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.494605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.494605 (E_RNA)
where:
Base-Base interactions energy: -123.096
where: short stacking energy: -81.224
Base-Backbone interact. energy: -0.564
local terms energy: -165.834580
where:
bonds (distance) C4'-P energy: -49.208
bonds (distance) P-C4' energy: -60.297
flat angles C4'-P-C4' energy: -43.640
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: 11.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -246.484851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.484851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.484851 (E_RNA)
where:
Base-Base interactions energy: -79.587
where: short stacking energy: -74.599
Base-Backbone interact. energy: -0.789
local terms energy: -166.108722
where:
bonds (distance) C4'-P energy: -52.709
bonds (distance) P-C4' energy: -48.340
flat angles C4'-P-C4' energy: -42.105
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1173.342231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.342231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.342231 (E_RNA)
where:
Base-Base interactions energy: -807.724
where: short stacking energy: -343.705
Base-Backbone interact. energy: -0.295
local terms energy: -365.323227
where:
bonds (distance) C4'-P energy: -61.372
bonds (distance) P-C4' energy: -67.455
flat angles C4'-P-C4' energy: -75.761
flat angles P-C4'-P energy: -50.121
tors. eta vs tors. theta energy: -110.614
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: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1105.493155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.493155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.493155 (E_RNA)
where:
Base-Base interactions energy: -752.930
where: short stacking energy: -314.671
Base-Backbone interact. energy: -1.839
local terms energy: -350.724119
where:
bonds (distance) C4'-P energy: -62.177
bonds (distance) P-C4' energy: -60.889
flat angles C4'-P-C4' energy: -74.384
flat angles P-C4'-P energy: -53.730
tors. eta vs tors. theta energy: -99.545
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: 485
Temperature: 1.000000
Total energy: -1035.031823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.031823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.031823 (E_RNA)
where:
Base-Base interactions energy: -695.812
where: short stacking energy: -288.358
Base-Backbone interact. energy: -2.344
local terms energy: -336.875768
where:
bonds (distance) C4'-P energy: -60.997
bonds (distance) P-C4' energy: -74.747
flat angles C4'-P-C4' energy: -72.968
flat angles P-C4'-P energy: -47.048
tors. eta vs tors. theta energy: -81.117
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: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -933.248813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.248813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.248813 (E_RNA)
where:
Base-Base interactions energy: -623.600
where: short stacking energy: -283.518
Base-Backbone interact. energy: -0.927
local terms energy: -308.722119
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -65.525
flat angles C4'-P-C4' energy: -71.142
flat angles P-C4'-P energy: -41.950
tors. eta vs tors. theta energy: -79.579
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: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -856.129450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.129450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.129450 (E_RNA)
where:
Base-Base interactions energy: -549.975
where: short stacking energy: -243.170
Base-Backbone interact. energy: -2.918
local terms energy: -303.236109
where:
bonds (distance) C4'-P energy: -67.402
bonds (distance) P-C4' energy: -58.665
flat angles C4'-P-C4' energy: -62.975
flat angles P-C4'-P energy: -46.094
tors. eta vs tors. theta energy: -68.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -730.683033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.683033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.683033 (E_RNA)
where:
Base-Base interactions energy: -469.232
where: short stacking energy: -214.748
Base-Backbone interact. energy: 2.554
local terms energy: -264.004898
where:
bonds (distance) C4'-P energy: -55.408
bonds (distance) P-C4' energy: -52.324
flat angles C4'-P-C4' energy: -61.129
flat angles P-C4'-P energy: -48.108
tors. eta vs tors. theta energy: -47.037
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: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -549.325050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.325050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.325050 (E_RNA)
where:
Base-Base interactions energy: -317.814
where: short stacking energy: -147.427
Base-Backbone interact. energy: -1.367
local terms energy: -230.143888
where:
bonds (distance) C4'-P energy: -51.875
bonds (distance) P-C4' energy: -59.499
flat angles C4'-P-C4' energy: -58.032
flat angles P-C4'-P energy: -45.292
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: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -446.572111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.572111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.572111 (E_RNA)
where:
Base-Base interactions energy: -213.998
where: short stacking energy: -108.910
Base-Backbone interact. energy: 2.255
local terms energy: -235.896959
where:
bonds (distance) C4'-P energy: -45.925
bonds (distance) P-C4' energy: -73.708
flat angles C4'-P-C4' energy: -61.703
flat angles P-C4'-P energy: -41.063
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.068 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -286.037173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.037173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.037173 (E_RNA)
where:
Base-Base interactions energy: -99.049
where: short stacking energy: -63.550
Base-Backbone interact. energy: -1.132
local terms energy: -185.856343
where:
bonds (distance) C4'-P energy: -57.958
bonds (distance) P-C4' energy: -74.033
flat angles C4'-P-C4' energy: -40.613
flat angles P-C4'-P energy: -30.408
tors. eta vs tors. theta energy: 17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -260.497547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.497547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.497547 (E_RNA)
where:
Base-Base interactions energy: -81.519
where: short stacking energy: -63.418
Base-Backbone interact. energy: -0.017
local terms energy: -178.960931
where:
bonds (distance) C4'-P energy: -42.899
bonds (distance) P-C4' energy: -69.162
flat angles C4'-P-C4' energy: -34.560
flat angles P-C4'-P energy: -43.177
tors. eta vs tors. theta energy: 10.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1172.607446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.607446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.607446 (E_RNA)
where:
Base-Base interactions energy: -807.235
where: short stacking energy: -343.761
Base-Backbone interact. energy: -1.039
local terms energy: -364.333922
where:
bonds (distance) C4'-P energy: -67.064
bonds (distance) P-C4' energy: -63.988
flat angles C4'-P-C4' energy: -77.705
flat angles P-C4'-P energy: -49.174
tors. eta vs tors. theta energy: -106.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1100.229685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.229685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.229685 (E_RNA)
where:
Base-Base interactions energy: -753.146
where: short stacking energy: -306.280
Base-Backbone interact. energy: 0.609
local terms energy: -347.692005
where:
bonds (distance) C4'-P energy: -61.341
bonds (distance) P-C4' energy: -56.534
flat angles C4'-P-C4' energy: -75.490
flat angles P-C4'-P energy: -48.978
tors. eta vs tors. theta energy: -105.348
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: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1018.846811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.846811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.846811 (E_RNA)
where:
Base-Base interactions energy: -671.527
where: short stacking energy: -281.653
Base-Backbone interact. energy: 1.273
local terms energy: -348.592872
where:
bonds (distance) C4'-P energy: -63.317
bonds (distance) P-C4' energy: -72.889
flat angles C4'-P-C4' energy: -78.989
flat angles P-C4'-P energy: -48.037
tors. eta vs tors. theta energy: -85.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -927.904104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.904104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.904104 (E_RNA)
where:
Base-Base interactions energy: -623.651
where: short stacking energy: -270.027
Base-Backbone interact. energy: -0.382
local terms energy: -303.870965
where:
bonds (distance) C4'-P energy: -59.394
bonds (distance) P-C4' energy: -67.333
flat angles C4'-P-C4' energy: -57.469
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -75.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -870.812610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.812610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.812610 (E_RNA)
where:
Base-Base interactions energy: -564.164
where: short stacking energy: -243.553
Base-Backbone interact. energy: -0.268
local terms energy: -306.380564
where:
bonds (distance) C4'-P energy: -62.331
bonds (distance) P-C4' energy: -61.661
flat angles C4'-P-C4' energy: -65.266
flat angles P-C4'-P energy: -43.548
tors. eta vs tors. theta energy: -73.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -710.500393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.500393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.500393 (E_RNA)
where:
Base-Base interactions energy: -430.633
where: short stacking energy: -188.011
Base-Backbone interact. energy: -0.999
local terms energy: -278.868549
where:
bonds (distance) C4'-P energy: -60.249
bonds (distance) P-C4' energy: -68.118
flat angles C4'-P-C4' energy: -61.425
flat angles P-C4'-P energy: -41.163
tors. eta vs tors. theta energy: -47.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -566.153609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.153609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.153609 (E_RNA)
where:
Base-Base interactions energy: -324.859
where: short stacking energy: -169.574
Base-Backbone interact. energy: -0.889
local terms energy: -240.405839
where:
bonds (distance) C4'-P energy: -51.382
bonds (distance) P-C4' energy: -46.417
flat angles C4'-P-C4' energy: -68.839
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -28.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -462.544750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.544750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.544750 (E_RNA)
where:
Base-Base interactions energy: -247.756
where: short stacking energy: -138.182
Base-Backbone interact. energy: 0.927
local terms energy: -215.715497
where:
bonds (distance) C4'-P energy: -54.365
bonds (distance) P-C4' energy: -52.179
flat angles C4'-P-C4' energy: -47.999
flat angles P-C4'-P energy: -36.838
tors. eta vs tors. theta energy: -24.335
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: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -282.976560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.976560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.976560 (E_RNA)
where:
Base-Base interactions energy: -90.082
where: short stacking energy: -74.837
Base-Backbone interact. energy: 2.293
local terms energy: -195.187671
where:
bonds (distance) C4'-P energy: -59.039
bonds (distance) P-C4' energy: -66.614
flat angles C4'-P-C4' energy: -47.754
flat angles P-C4'-P energy: -28.308
tors. eta vs tors. theta energy: 6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -262.907704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.907704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.907704 (E_RNA)
where:
Base-Base interactions energy: -74.821
where: short stacking energy: -60.704
Base-Backbone interact. energy: -2.860
local terms energy: -185.227247
where:
bonds (distance) C4'-P energy: -42.820
bonds (distance) P-C4' energy: -65.842
flat angles C4'-P-C4' energy: -56.854
flat angles P-C4'-P energy: -35.235
tors. eta vs tors. theta energy: 15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1165.293710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.293710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.293710 (E_RNA)
where:
Base-Base interactions energy: -796.495
where: short stacking energy: -324.688
Base-Backbone interact. energy: -0.023
local terms energy: -368.775845
where:
bonds (distance) C4'-P energy: -64.436
bonds (distance) P-C4' energy: -71.084
flat angles C4'-P-C4' energy: -74.154
flat angles P-C4'-P energy: -54.014
tors. eta vs tors. theta energy: -105.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1094.863334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.863334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.863334 (E_RNA)
where:
Base-Base interactions energy: -753.581
where: short stacking energy: -309.533
Base-Backbone interact. energy: -0.813
local terms energy: -340.468798
where:
bonds (distance) C4'-P energy: -58.784
bonds (distance) P-C4' energy: -61.030
flat angles C4'-P-C4' energy: -76.512
flat angles P-C4'-P energy: -50.292
tors. eta vs tors. theta energy: -93.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1026.300797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.300797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.300797 (E_RNA)
where:
Base-Base interactions energy: -692.365
where: short stacking energy: -289.928
Base-Backbone interact. energy: 0.005
local terms energy: -333.941456
where:
bonds (distance) C4'-P energy: -51.531
bonds (distance) P-C4' energy: -61.051
flat angles C4'-P-C4' energy: -74.860
flat angles P-C4'-P energy: -58.818
tors. eta vs tors. theta energy: -87.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -954.911618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.911618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.911618 (E_RNA)
where:
Base-Base interactions energy: -640.267
where: short stacking energy: -266.324
Base-Backbone interact. energy: -0.902
local terms energy: -313.743067
where:
bonds (distance) C4'-P energy: -56.770
bonds (distance) P-C4' energy: -65.563
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -44.697
tors. eta vs tors. theta energy: -85.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -851.011167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.011167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.011167 (E_RNA)
where:
Base-Base interactions energy: -569.269
where: short stacking energy: -254.868
Base-Backbone interact. energy: -1.850
local terms energy: -279.891799
where:
bonds (distance) C4'-P energy: -54.398
bonds (distance) P-C4' energy: -53.423
flat angles C4'-P-C4' energy: -58.708
flat angles P-C4'-P energy: -39.034
tors. eta vs tors. theta energy: -74.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -705.079845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.079845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.079845 (E_RNA)
where:
Base-Base interactions energy: -430.710
where: short stacking energy: -197.209
Base-Backbone interact. energy: -0.569
local terms energy: -273.800784
where:
bonds (distance) C4'-P energy: -56.968
bonds (distance) P-C4' energy: -62.932
flat angles C4'-P-C4' energy: -59.008
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -52.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -596.208573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.208573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.208573 (E_RNA)
where:
Base-Base interactions energy: -325.527
where: short stacking energy: -162.962
Base-Backbone interact. energy: -0.607
local terms energy: -270.074449
where:
bonds (distance) C4'-P energy: -56.312
bonds (distance) P-C4' energy: -64.261
flat angles C4'-P-C4' energy: -59.450
flat angles P-C4'-P energy: -50.957
tors. eta vs tors. theta energy: -39.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -519.024078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.024078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.024078 (E_RNA)
where:
Base-Base interactions energy: -299.995
where: short stacking energy: -143.534
Base-Backbone interact. energy: -0.531
local terms energy: -218.497686
where:
bonds (distance) C4'-P energy: -46.829
bonds (distance) P-C4' energy: -58.808
flat angles C4'-P-C4' energy: -57.357
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -306.770994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.770994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.770994 (E_RNA)
where:
Base-Base interactions energy: -97.731
where: short stacking energy: -84.669
Base-Backbone interact. energy: -0.621
local terms energy: -208.418592
where:
bonds (distance) C4'-P energy: -66.616
bonds (distance) P-C4' energy: -61.106
flat angles C4'-P-C4' energy: -43.886
flat angles P-C4'-P energy: -39.408
tors. eta vs tors. theta energy: 2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -266.707051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.707051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.707051 (E_RNA)
where:
Base-Base interactions energy: -107.728
where: short stacking energy: -70.792
Base-Backbone interact. energy: -1.207
local terms energy: -157.771616
where:
bonds (distance) C4'-P energy: -59.120
bonds (distance) P-C4' energy: -50.853
flat angles C4'-P-C4' energy: -36.048
flat angles P-C4'-P energy: -25.550
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: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1171.838204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.838204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.838204 (E_RNA)
where:
Base-Base interactions energy: -795.157
where: short stacking energy: -319.998
Base-Backbone interact. energy: -0.835
local terms energy: -375.845863
where:
bonds (distance) C4'-P energy: -70.336
bonds (distance) P-C4' energy: -62.643
flat angles C4'-P-C4' energy: -80.379
flat angles P-C4'-P energy: -56.027
tors. eta vs tors. theta energy: -106.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1094.266221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.266221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.266221 (E_RNA)
where:
Base-Base interactions energy: -750.997
where: short stacking energy: -322.954
Base-Backbone interact. energy: -1.217
local terms energy: -343.022186
where:
bonds (distance) C4'-P energy: -67.651
bonds (distance) P-C4' energy: -64.776
flat angles C4'-P-C4' energy: -73.560
flat angles P-C4'-P energy: -37.803
tors. eta vs tors. theta energy: -99.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.970 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1029.531363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.531363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.531363 (E_RNA)
where:
Base-Base interactions energy: -705.140
where: short stacking energy: -273.769
Base-Backbone interact. energy: -1.347
local terms energy: -323.044570
where:
bonds (distance) C4'-P energy: -57.914
bonds (distance) P-C4' energy: -61.269
flat angles C4'-P-C4' energy: -65.107
flat angles P-C4'-P energy: -44.107
tors. eta vs tors. theta energy: -94.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -968.420372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.420372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.420372 (E_RNA)
where:
Base-Base interactions energy: -622.881
where: short stacking energy: -278.515
Base-Backbone interact. energy: -0.248
local terms energy: -345.290909
where:
bonds (distance) C4'-P energy: -65.067
bonds (distance) P-C4' energy: -65.528
flat angles C4'-P-C4' energy: -76.360
flat angles P-C4'-P energy: -52.993
tors. eta vs tors. theta energy: -85.342
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: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -879.346309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.346309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.346309 (E_RNA)
where:
Base-Base interactions energy: -588.827
where: short stacking energy: -241.830
Base-Backbone interact. energy: -2.281
local terms energy: -288.838030
where:
bonds (distance) C4'-P energy: -58.063
bonds (distance) P-C4' energy: -64.610
flat angles C4'-P-C4' energy: -57.184
flat angles P-C4'-P energy: -38.455
tors. eta vs tors. theta energy: -70.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.600 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -712.925839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.925839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.925839 (E_RNA)
where:
Base-Base interactions energy: -459.797
where: short stacking energy: -207.293
Base-Backbone interact. energy: -0.185
local terms energy: -252.944273
where:
bonds (distance) C4'-P energy: -57.553
bonds (distance) P-C4' energy: -65.386
flat angles C4'-P-C4' energy: -54.599
flat angles P-C4'-P energy: -35.858
tors. eta vs tors. theta energy: -39.549
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: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -605.101372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.101372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.101372 (E_RNA)
where:
Base-Base interactions energy: -361.885
where: short stacking energy: -166.667
Base-Backbone interact. energy: -1.808
local terms energy: -241.408419
where:
bonds (distance) C4'-P energy: -53.622
bonds (distance) P-C4' energy: -63.425
flat angles C4'-P-C4' energy: -58.406
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -26.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -593.144435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.144435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.144435 (E_RNA)
where:
Base-Base interactions energy: -364.253
where: short stacking energy: -166.739
Base-Backbone interact. energy: -0.115
local terms energy: -228.775955
where:
bonds (distance) C4'-P energy: -54.263
bonds (distance) P-C4' energy: -52.137
flat angles C4'-P-C4' energy: -56.591
flat angles P-C4'-P energy: -28.745
tors. eta vs tors. theta energy: -37.041
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: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -305.683066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.683066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.683066 (E_RNA)
where:
Base-Base interactions energy: -112.301
where: short stacking energy: -90.288
Base-Backbone interact. energy: 0.516
local terms energy: -193.898365
where:
bonds (distance) C4'-P energy: -54.264
bonds (distance) P-C4' energy: -58.860
flat angles C4'-P-C4' energy: -58.208
flat angles P-C4'-P energy: -27.725
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: 10, replica: 9
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -290.827865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.827865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.827865 (E_RNA)
where:
Base-Base interactions energy: -123.938
where: short stacking energy: -96.661
Base-Backbone interact. energy: 4.295
local terms energy: -171.185018
where:
bonds (distance) C4'-P energy: -46.030
bonds (distance) P-C4' energy: -66.197
flat angles C4'-P-C4' energy: -43.269
flat angles P-C4'-P energy: -11.892
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: 1, replica: 4
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1153.311329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.311329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.311329 (E_RNA)
where:
Base-Base interactions energy: -794.212
where: short stacking energy: -329.520
Base-Backbone interact. energy: -1.340
local terms energy: -357.759399
where:
bonds (distance) C4'-P energy: -62.835
bonds (distance) P-C4' energy: -61.358
flat angles C4'-P-C4' energy: -77.609
flat angles P-C4'-P energy: -47.726
tors. eta vs tors. theta energy: -108.232
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: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1084.212139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.212139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.212139 (E_RNA)
where:
Base-Base interactions energy: -728.922
where: short stacking energy: -305.252
Base-Backbone interact. energy: -0.303
local terms energy: -355.343159
where:
bonds (distance) C4'-P energy: -68.719
bonds (distance) P-C4' energy: -65.248
flat angles C4'-P-C4' energy: -69.646
flat angles P-C4'-P energy: -59.673
tors. eta vs tors. theta energy: -92.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.357 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -992.962830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.962830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.962830 (E_RNA)
where:
Base-Base interactions energy: -681.468
where: short stacking energy: -274.704
Base-Backbone interact. energy: 0.083
local terms energy: -311.577202
where:
bonds (distance) C4'-P energy: -58.206
bonds (distance) P-C4' energy: -58.396
flat angles C4'-P-C4' energy: -70.416
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -78.178
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: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -977.413104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.413104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.413104 (E_RNA)
where:
Base-Base interactions energy: -661.953
where: short stacking energy: -302.769
Base-Backbone interact. energy: -0.179
local terms energy: -315.280765
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -71.079
flat angles P-C4'-P energy: -41.523
tors. eta vs tors. theta energy: -91.807
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: 5, replica: 10
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -900.849462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.849462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.849462 (E_RNA)
where:
Base-Base interactions energy: -606.489
where: short stacking energy: -267.334
Base-Backbone interact. energy: -0.570
local terms energy: -293.790345
where:
bonds (distance) C4'-P energy: -66.868
bonds (distance) P-C4' energy: -63.477
flat angles C4'-P-C4' energy: -56.316
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: -74.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -740.301174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.301174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.301174 (E_RNA)
where:
Base-Base interactions energy: -473.125
where: short stacking energy: -208.072
Base-Backbone interact. energy: 3.977
local terms energy: -271.152573
where:
bonds (distance) C4'-P energy: -52.316
bonds (distance) P-C4' energy: -58.885
flat angles C4'-P-C4' energy: -56.074
flat angles P-C4'-P energy: -43.765
tors. eta vs tors. theta energy: -60.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -608.330976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.330976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.330976 (E_RNA)
where:
Base-Base interactions energy: -371.988
where: short stacking energy: -158.219
Base-Backbone interact. energy: -0.855
local terms energy: -235.488515
where:
bonds (distance) C4'-P energy: -57.805
bonds (distance) P-C4' energy: -47.623
flat angles C4'-P-C4' energy: -62.921
flat angles P-C4'-P energy: -34.945
tors. eta vs tors. theta energy: -32.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -599.000272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.000272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.000272 (E_RNA)
where:
Base-Base interactions energy: -359.217
where: short stacking energy: -162.799
Base-Backbone interact. energy: -1.762
local terms energy: -238.020810
where:
bonds (distance) C4'-P energy: -50.516
bonds (distance) P-C4' energy: -58.895
flat angles C4'-P-C4' energy: -54.140
flat angles P-C4'-P energy: -35.871
tors. eta vs tors. theta energy: -38.597
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: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -273.634496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.634496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.634496 (E_RNA)
where:
Base-Base interactions energy: -90.488
where: short stacking energy: -74.433
Base-Backbone interact. energy: 2.480
local terms energy: -185.626727
where:
bonds (distance) C4'-P energy: -57.073
bonds (distance) P-C4' energy: -54.752
flat angles C4'-P-C4' energy: -38.709
flat angles P-C4'-P energy: -44.832
tors. eta vs tors. theta energy: 9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -317.856482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.856482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.856482 (E_RNA)
where:
Base-Base interactions energy: -131.659
where: short stacking energy: -76.696
Base-Backbone interact. energy: -0.693
local terms energy: -185.503730
where:
bonds (distance) C4'-P energy: -55.236
bonds (distance) P-C4' energy: -60.034
flat angles C4'-P-C4' energy: -43.785
flat angles P-C4'-P energy: -26.462
tors. eta vs tors. theta energy: 0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1145.341869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.341869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.341869 (E_RNA)
where:
Base-Base interactions energy: -787.592
where: short stacking energy: -309.205
Base-Backbone interact. energy: -1.587
local terms energy: -356.162867
where:
bonds (distance) C4'-P energy: -62.949
bonds (distance) P-C4' energy: -66.989
flat angles C4'-P-C4' energy: -67.833
flat angles P-C4'-P energy: -56.863
tors. eta vs tors. theta energy: -101.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1103.882373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.882373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.882373 (E_RNA)
where:
Base-Base interactions energy: -739.186
where: short stacking energy: -317.219
Base-Backbone interact. energy: 1.997
local terms energy: -369.230296
where:
bonds (distance) C4'-P energy: -69.859
bonds (distance) P-C4' energy: -65.545
flat angles C4'-P-C4' energy: -80.730
flat angles P-C4'-P energy: -53.401
tors. eta vs tors. theta energy: -99.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.537 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -993.608894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.608894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.608894 (E_RNA)
where:
Base-Base interactions energy: -677.610
where: short stacking energy: -276.912
Base-Backbone interact. energy: -0.710
local terms energy: -315.288955
where:
bonds (distance) C4'-P energy: -63.345
bonds (distance) P-C4' energy: -51.879
flat angles C4'-P-C4' energy: -71.607
flat angles P-C4'-P energy: -43.286
tors. eta vs tors. theta energy: -85.172
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: 4, replica: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -971.874390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.874390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.874390 (E_RNA)
where:
Base-Base interactions energy: -630.603
where: short stacking energy: -285.778
Base-Backbone interact. energy: -0.136
local terms energy: -341.136251
where:
bonds (distance) C4'-P energy: -60.647
bonds (distance) P-C4' energy: -69.504
flat angles C4'-P-C4' energy: -74.965
flat angles P-C4'-P energy: -51.150
tors. eta vs tors. theta energy: -84.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -834.914848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.914848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.914848 (E_RNA)
where:
Base-Base interactions energy: -550.692
where: short stacking energy: -225.761
Base-Backbone interact. energy: -2.117
local terms energy: -282.105368
where:
bonds (distance) C4'-P energy: -55.259
bonds (distance) P-C4' energy: -59.052
flat angles C4'-P-C4' energy: -66.039
flat angles P-C4'-P energy: -49.120
tors. eta vs tors. theta energy: -52.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -735.206491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.206491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.206491 (E_RNA)
where:
Base-Base interactions energy: -455.099
where: short stacking energy: -208.675
Base-Backbone interact. energy: 0.670
local terms energy: -280.777670
where:
bonds (distance) C4'-P energy: -58.221
bonds (distance) P-C4' energy: -67.459
flat angles C4'-P-C4' energy: -63.677
flat angles P-C4'-P energy: -40.143
tors. eta vs tors. theta energy: -51.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -584.236956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.236956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.236956 (E_RNA)
where:
Base-Base interactions energy: -343.791
where: short stacking energy: -186.534
Base-Backbone interact. energy: 1.111
local terms energy: -241.556573
where:
bonds (distance) C4'-P energy: -53.126
bonds (distance) P-C4' energy: -62.185
flat angles C4'-P-C4' energy: -68.110
flat angles P-C4'-P energy: -34.405
tors. eta vs tors. theta energy: -23.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -543.552362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.552362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.552362 (E_RNA)
where:
Base-Base interactions energy: -322.853
where: short stacking energy: -158.014
Base-Backbone interact. energy: -1.853
local terms energy: -218.846534
where:
bonds (distance) C4'-P energy: -56.436
bonds (distance) P-C4' energy: -53.192
flat angles C4'-P-C4' energy: -51.851
flat angles P-C4'-P energy: -37.714
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: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -367.252069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.252069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.252069 (E_RNA)
where:
Base-Base interactions energy: -167.057
where: short stacking energy: -102.910
Base-Backbone interact. energy: -1.667
local terms energy: -198.527263
where:
bonds (distance) C4'-P energy: -56.572
bonds (distance) P-C4' energy: -63.842
flat angles C4'-P-C4' energy: -44.551
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: -3.980
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: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -249.705039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.705039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.705039 (E_RNA)
where:
Base-Base interactions energy: -84.937
where: short stacking energy: -62.941
Base-Backbone interact. energy: 3.388
local terms energy: -168.155482
where:
bonds (distance) C4'-P energy: -56.997
bonds (distance) P-C4' energy: -53.272
flat angles C4'-P-C4' energy: -45.706
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: 11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1176.815903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.815903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.815903 (E_RNA)
where:
Base-Base interactions energy: -802.450
where: short stacking energy: -335.960
Base-Backbone interact. energy: -1.321
local terms energy: -373.045462
where:
bonds (distance) C4'-P energy: -72.801
bonds (distance) P-C4' energy: -73.115
flat angles C4'-P-C4' energy: -70.397
flat angles P-C4'-P energy: -46.331
tors. eta vs tors. theta energy: -110.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1069.927038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.927038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.927038 (E_RNA)
where:
Base-Base interactions energy: -723.151
where: short stacking energy: -302.211
Base-Backbone interact. energy: -0.540
local terms energy: -346.235191
where:
bonds (distance) C4'-P energy: -67.991
bonds (distance) P-C4' energy: -61.672
flat angles C4'-P-C4' energy: -67.378
flat angles P-C4'-P energy: -54.165
tors. eta vs tors. theta energy: -95.029
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: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1019.143028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.143028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.143028 (E_RNA)
where:
Base-Base interactions energy: -692.702
where: short stacking energy: -279.250
Base-Backbone interact. energy: 1.162
local terms energy: -327.602488
where:
bonds (distance) C4'-P energy: -61.266
bonds (distance) P-C4' energy: -66.315
flat angles C4'-P-C4' energy: -73.501
flat angles P-C4'-P energy: -52.195
tors. eta vs tors. theta energy: -74.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -947.167666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.167666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.167666 (E_RNA)
where:
Base-Base interactions energy: -636.646
where: short stacking energy: -263.839
Base-Backbone interact. energy: 0.678
local terms energy: -311.199645
where:
bonds (distance) C4'-P energy: -62.868
bonds (distance) P-C4' energy: -60.601
flat angles C4'-P-C4' energy: -61.223
flat angles P-C4'-P energy: -45.076
tors. eta vs tors. theta energy: -81.431
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: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -836.918336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.918336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.918336 (E_RNA)
where:
Base-Base interactions energy: -547.496
where: short stacking energy: -219.815
Base-Backbone interact. energy: -0.913
local terms energy: -288.509375
where:
bonds (distance) C4'-P energy: -50.545
bonds (distance) P-C4' energy: -66.957
flat angles C4'-P-C4' energy: -72.815
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: -62.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -731.904834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.904834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.904834 (E_RNA)
where:
Base-Base interactions energy: -443.496
where: short stacking energy: -201.969
Base-Backbone interact. energy: -1.493
local terms energy: -286.915577
where:
bonds (distance) C4'-P energy: -56.608
bonds (distance) P-C4' energy: -52.887
flat angles C4'-P-C4' energy: -80.819
flat angles P-C4'-P energy: -36.627
tors. eta vs tors. theta energy: -59.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -614.642276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.642276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.642276 (E_RNA)
where:
Base-Base interactions energy: -380.972
where: short stacking energy: -164.752
Base-Backbone interact. energy: -1.632
local terms energy: -232.038490
where:
bonds (distance) C4'-P energy: -55.544
bonds (distance) P-C4' energy: -52.754
flat angles C4'-P-C4' energy: -55.327
flat angles P-C4'-P energy: -36.064
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: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -391.032321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.032321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.032321 (E_RNA)
where:
Base-Base interactions energy: -203.090
where: short stacking energy: -117.979
Base-Backbone interact. energy: -1.592
local terms energy: -186.350082
where:
bonds (distance) C4'-P energy: -51.936
bonds (distance) P-C4' energy: -53.013
flat angles C4'-P-C4' energy: -53.947
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -501.147839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.147839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.147839 (E_RNA)
where:
Base-Base interactions energy: -285.496
where: short stacking energy: -147.472
Base-Backbone interact. energy: -0.855
local terms energy: -214.796845
where:
bonds (distance) C4'-P energy: -65.398
bonds (distance) P-C4' energy: -50.184
flat angles C4'-P-C4' energy: -51.804
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -27.934
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: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -275.924689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.924689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.924689 (E_RNA)
where:
Base-Base interactions energy: -95.740
where: short stacking energy: -68.062
Base-Backbone interact. energy: -1.773
local terms energy: -178.410831
where:
bonds (distance) C4'-P energy: -50.991
bonds (distance) P-C4' energy: -59.843
flat angles C4'-P-C4' energy: -44.303
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1154.698796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.698796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.698796 (E_RNA)
where:
Base-Base interactions energy: -792.244
where: short stacking energy: -319.481
Base-Backbone interact. energy: -0.981
local terms energy: -361.473376
where:
bonds (distance) C4'-P energy: -66.829
bonds (distance) P-C4' energy: -63.353
flat angles C4'-P-C4' energy: -73.877
flat angles P-C4'-P energy: -53.850
tors. eta vs tors. theta energy: -103.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1103.831485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.831485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.831485 (E_RNA)
where:
Base-Base interactions energy: -756.706
where: short stacking energy: -314.660
Base-Backbone interact. energy: -1.278
local terms energy: -345.847589
where:
bonds (distance) C4'-P energy: -58.310
bonds (distance) P-C4' energy: -67.772
flat angles C4'-P-C4' energy: -73.168
flat angles P-C4'-P energy: -44.816
tors. eta vs tors. theta energy: -101.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -993.027421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.027421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.027421 (E_RNA)
where:
Base-Base interactions energy: -648.843
where: short stacking energy: -274.359
Base-Backbone interact. energy: -1.212
local terms energy: -342.972706
where:
bonds (distance) C4'-P energy: -71.767
bonds (distance) P-C4' energy: -59.359
flat angles C4'-P-C4' energy: -67.069
flat angles P-C4'-P energy: -55.175
tors. eta vs tors. theta energy: -89.603
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: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -989.869916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.869916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.869916 (E_RNA)
where:
Base-Base interactions energy: -674.326
where: short stacking energy: -279.320
Base-Backbone interact. energy: 5.311
local terms energy: -320.855570
where:
bonds (distance) C4'-P energy: -62.571
bonds (distance) P-C4' energy: -68.525
flat angles C4'-P-C4' energy: -72.421
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -82.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -830.585212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.585212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.585212 (E_RNA)
where:
Base-Base interactions energy: -553.375
where: short stacking energy: -244.713
Base-Backbone interact. energy: -1.008
local terms energy: -277.665294
where:
bonds (distance) C4'-P energy: -48.402
bonds (distance) P-C4' energy: -60.411
flat angles C4'-P-C4' energy: -72.737
flat angles P-C4'-P energy: -36.251
tors. eta vs tors. theta energy: -59.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.464 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -707.187070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.187070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.187070 (E_RNA)
where:
Base-Base interactions energy: -449.514
where: short stacking energy: -197.101
Base-Backbone interact. energy: -2.131
local terms energy: -255.541938
where:
bonds (distance) C4'-P energy: -51.887
bonds (distance) P-C4' energy: -69.929
flat angles C4'-P-C4' energy: -59.687
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -42.965
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: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -602.133059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.133059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.133059 (E_RNA)
where:
Base-Base interactions energy: -359.899
where: short stacking energy: -157.661
Base-Backbone interact. energy: -0.448
local terms energy: -241.786003
where:
bonds (distance) C4'-P energy: -71.360
bonds (distance) P-C4' energy: -57.998
flat angles C4'-P-C4' energy: -63.411
flat angles P-C4'-P energy: -27.206
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -422.993176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.993176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.993176 (E_RNA)
where:
Base-Base interactions energy: -207.448
where: short stacking energy: -128.804
Base-Backbone interact. energy: -1.014
local terms energy: -214.532080
where:
bonds (distance) C4'-P energy: -49.412
bonds (distance) P-C4' energy: -53.310
flat angles C4'-P-C4' energy: -58.599
flat angles P-C4'-P energy: -43.226
tors. eta vs tors. theta energy: -9.984
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: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -509.474096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.474096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.474096 (E_RNA)
where:
Base-Base interactions energy: -286.024
where: short stacking energy: -138.129
Base-Backbone interact. energy: -2.937
local terms energy: -220.513686
where:
bonds (distance) C4'-P energy: -59.446
bonds (distance) P-C4' energy: -51.547
flat angles C4'-P-C4' energy: -59.628
flat angles P-C4'-P energy: -28.754
tors. eta vs tors. theta energy: -21.139
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: 492
Temperature: 1.350000
Total energy: -283.511732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.511732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.511732 (E_RNA)
where:
Base-Base interactions energy: -86.258
where: short stacking energy: -76.233
Base-Backbone interact. energy: -0.178
local terms energy: -197.075501
where:
bonds (distance) C4'-P energy: -57.502
bonds (distance) P-C4' energy: -58.751
flat angles C4'-P-C4' energy: -49.761
flat angles P-C4'-P energy: -39.131
tors. eta vs tors. theta energy: 8.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1148.523994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.523994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.523994 (E_RNA)
where:
Base-Base interactions energy: -781.589
where: short stacking energy: -320.388
Base-Backbone interact. energy: -1.621
local terms energy: -365.314016
where:
bonds (distance) C4'-P energy: -72.611
bonds (distance) P-C4' energy: -64.842
flat angles C4'-P-C4' energy: -76.632
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: -103.982
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: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1090.383030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.383030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.383030 (E_RNA)
where:
Base-Base interactions energy: -735.662
where: short stacking energy: -301.328
Base-Backbone interact. energy: 0.001
local terms energy: -354.722561
where:
bonds (distance) C4'-P energy: -60.193
bonds (distance) P-C4' energy: -73.780
flat angles C4'-P-C4' energy: -73.845
flat angles P-C4'-P energy: -46.722
tors. eta vs tors. theta energy: -100.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1010.751694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.751694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.751694 (E_RNA)
where:
Base-Base interactions energy: -669.278
where: short stacking energy: -296.768
Base-Backbone interact. energy: -1.455
local terms energy: -340.018420
where:
bonds (distance) C4'-P energy: -56.073
bonds (distance) P-C4' energy: -68.154
flat angles C4'-P-C4' energy: -82.820
flat angles P-C4'-P energy: -42.960
tors. eta vs tors. theta energy: -90.012
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: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -980.351940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.351940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.351940 (E_RNA)
where:
Base-Base interactions energy: -693.335
where: short stacking energy: -259.725
Base-Backbone interact. energy: -2.027
local terms energy: -284.989365
where:
bonds (distance) C4'-P energy: -54.286
bonds (distance) P-C4' energy: -53.041
flat angles C4'-P-C4' energy: -63.233
flat angles P-C4'-P energy: -41.166
tors. eta vs tors. theta energy: -73.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -876.774605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.774605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.774605 (E_RNA)
where:
Base-Base interactions energy: -580.823
where: short stacking energy: -234.088
Base-Backbone interact. energy: 0.934
local terms energy: -296.996445
where:
bonds (distance) C4'-P energy: -56.226
bonds (distance) P-C4' energy: -62.479
flat angles C4'-P-C4' energy: -68.559
flat angles P-C4'-P energy: -43.892
tors. eta vs tors. theta energy: -65.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.110 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -754.413850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.413850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.413850 (E_RNA)
where:
Base-Base interactions energy: -489.233
where: short stacking energy: -215.978
Base-Backbone interact. energy: -2.109
local terms energy: -263.071834
where:
bonds (distance) C4'-P energy: -46.389
bonds (distance) P-C4' energy: -59.654
flat angles C4'-P-C4' energy: -64.194
flat angles P-C4'-P energy: -44.198
tors. eta vs tors. theta energy: -48.637
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: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -589.160599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.160599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.160599 (E_RNA)
where:
Base-Base interactions energy: -343.375
where: short stacking energy: -179.749
Base-Backbone interact. energy: -0.977
local terms energy: -244.808063
where:
bonds (distance) C4'-P energy: -58.355
bonds (distance) P-C4' energy: -54.954
flat angles C4'-P-C4' energy: -63.615
flat angles P-C4'-P energy: -45.063
tors. eta vs tors. theta energy: -22.821
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: 5
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -525.741190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.741190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.741190 (E_RNA)
where:
Base-Base interactions energy: -303.746
where: short stacking energy: -141.590
Base-Backbone interact. energy: -0.719
local terms energy: -221.276466
where:
bonds (distance) C4'-P energy: -55.748
bonds (distance) P-C4' energy: -53.956
flat angles C4'-P-C4' energy: -54.629
flat angles P-C4'-P energy: -31.123
tors. eta vs tors. theta energy: -25.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -385.031118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.031118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.031118 (E_RNA)
where:
Base-Base interactions energy: -207.124
where: short stacking energy: -112.568
Base-Backbone interact. energy: 1.734
local terms energy: -179.641097
where:
bonds (distance) C4'-P energy: -48.569
bonds (distance) P-C4' energy: -52.777
flat angles C4'-P-C4' energy: -45.785
flat angles P-C4'-P energy: -30.577
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -312.870067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.870067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.870067 (E_RNA)
where:
Base-Base interactions energy: -124.095
where: short stacking energy: -84.307
Base-Backbone interact. energy: 4.574
local terms energy: -193.349008
where:
bonds (distance) C4'-P energy: -49.267
bonds (distance) P-C4' energy: -65.397
flat angles C4'-P-C4' energy: -42.086
flat angles P-C4'-P energy: -37.105
tors. eta vs tors. theta energy: 0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1148.053861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.053861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.053861 (E_RNA)
where:
Base-Base interactions energy: -780.983
where: short stacking energy: -314.535
Base-Backbone interact. energy: -1.160
local terms energy: -365.910457
where:
bonds (distance) C4'-P energy: -60.693
bonds (distance) P-C4' energy: -68.906
flat angles C4'-P-C4' energy: -77.314
flat angles P-C4'-P energy: -50.951
tors. eta vs tors. theta energy: -108.045
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: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1060.801922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.801922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.801922 (E_RNA)
where:
Base-Base interactions energy: -716.610
where: short stacking energy: -291.403
Base-Backbone interact. energy: -1.436
local terms energy: -343.689628
where:
bonds (distance) C4'-P energy: -60.318
bonds (distance) P-C4' energy: -71.867
flat angles C4'-P-C4' energy: -74.217
flat angles P-C4'-P energy: -47.501
tors. eta vs tors. theta energy: -89.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.934 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1028.713404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.713404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.713404 (E_RNA)
where:
Base-Base interactions energy: -682.235
where: short stacking energy: -308.471
Base-Backbone interact. energy: -0.788
local terms energy: -345.690820
where:
bonds (distance) C4'-P energy: -62.937
bonds (distance) P-C4' energy: -69.406
flat angles C4'-P-C4' energy: -68.511
flat angles P-C4'-P energy: -50.644
tors. eta vs tors. theta energy: -94.193
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: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -983.097485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.097485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.097485 (E_RNA)
where:
Base-Base interactions energy: -678.267
where: short stacking energy: -271.507
Base-Backbone interact. energy: -2.283
local terms energy: -302.547230
where:
bonds (distance) C4'-P energy: -56.790
bonds (distance) P-C4' energy: -64.813
flat angles C4'-P-C4' energy: -68.573
flat angles P-C4'-P energy: -43.975
tors. eta vs tors. theta energy: -68.397
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: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -879.552244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.552244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.552244 (E_RNA)
where:
Base-Base interactions energy: -563.017
where: short stacking energy: -247.358
Base-Backbone interact. energy: -0.402
local terms energy: -316.133816
where:
bonds (distance) C4'-P energy: -59.904
bonds (distance) P-C4' energy: -72.423
flat angles C4'-P-C4' energy: -70.825
flat angles P-C4'-P energy: -46.404
tors. eta vs tors. theta energy: -66.577
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: 6, replica: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -735.869496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.869496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.869496 (E_RNA)
where:
Base-Base interactions energy: -455.096
where: short stacking energy: -194.855
Base-Backbone interact. energy: 1.436
local terms energy: -282.209332
where:
bonds (distance) C4'-P energy: -65.101
bonds (distance) P-C4' energy: -66.749
flat angles C4'-P-C4' energy: -58.041
flat angles P-C4'-P energy: -42.195
tors. eta vs tors. theta energy: -50.124
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: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -621.866831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.866831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.866831 (E_RNA)
where:
Base-Base interactions energy: -374.798
where: short stacking energy: -177.894
Base-Backbone interact. energy: -0.615
local terms energy: -246.453686
where:
bonds (distance) C4'-P energy: -50.494
bonds (distance) P-C4' energy: -61.178
flat angles C4'-P-C4' energy: -56.153
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -41.359
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: 5
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -540.083158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.083158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.083158 (E_RNA)
where:
Base-Base interactions energy: -319.056
where: short stacking energy: -146.994
Base-Backbone interact. energy: -0.619
local terms energy: -220.408546
where:
bonds (distance) C4'-P energy: -49.440
bonds (distance) P-C4' energy: -63.313
flat angles C4'-P-C4' energy: -41.173
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: -33.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -373.039314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.039314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.039314 (E_RNA)
where:
Base-Base interactions energy: -180.789
where: short stacking energy: -102.901
Base-Backbone interact. energy: 2.239
local terms energy: -194.489165
where:
bonds (distance) C4'-P energy: -60.553
bonds (distance) P-C4' energy: -43.811
flat angles C4'-P-C4' energy: -49.957
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -273.689767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.689767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.689767 (E_RNA)
where:
Base-Base interactions energy: -87.677
where: short stacking energy: -72.518
Base-Backbone interact. energy: -0.993
local terms energy: -185.019802
where:
bonds (distance) C4'-P energy: -59.743
bonds (distance) P-C4' energy: -72.374
flat angles C4'-P-C4' energy: -38.084
flat angles P-C4'-P energy: -23.628
tors. eta vs tors. theta energy: 8.809
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: 4
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1160.408789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.408789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.408789 (E_RNA)
where:
Base-Base interactions energy: -786.822
where: short stacking energy: -327.677
Base-Backbone interact. energy: 0.560
local terms energy: -374.146230
where:
bonds (distance) C4'-P energy: -70.007
bonds (distance) P-C4' energy: -74.184
flat angles C4'-P-C4' energy: -73.814
flat angles P-C4'-P energy: -53.591
tors. eta vs tors. theta energy: -102.550
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: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1090.230130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.230130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.230130 (E_RNA)
where:
Base-Base interactions energy: -733.255
where: short stacking energy: -316.698
Base-Backbone interact. energy: -1.886
local terms energy: -355.090022
where:
bonds (distance) C4'-P energy: -60.825
bonds (distance) P-C4' energy: -69.610
flat angles C4'-P-C4' energy: -79.963
flat angles P-C4'-P energy: -44.799
tors. eta vs tors. theta energy: -99.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1017.343905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.343905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.343905 (E_RNA)
where:
Base-Base interactions energy: -684.165
where: short stacking energy: -310.159
Base-Backbone interact. energy: 2.148
local terms energy: -335.326530
where:
bonds (distance) C4'-P energy: -63.844
bonds (distance) P-C4' energy: -70.221
flat angles C4'-P-C4' energy: -66.861
flat angles P-C4'-P energy: -40.685
tors. eta vs tors. theta energy: -93.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1007.959976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.959976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.959976 (E_RNA)
where:
Base-Base interactions energy: -690.537
where: short stacking energy: -255.979
Base-Backbone interact. energy: -1.786
local terms energy: -315.637241
where:
bonds (distance) C4'-P energy: -65.588
bonds (distance) P-C4' energy: -56.327
flat angles C4'-P-C4' energy: -76.491
flat angles P-C4'-P energy: -39.923
tors. eta vs tors. theta energy: -77.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -845.240688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.240688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.240688 (E_RNA)
where:
Base-Base interactions energy: -545.115
where: short stacking energy: -232.122
Base-Backbone interact. energy: 0.844
local terms energy: -300.969798
where:
bonds (distance) C4'-P energy: -63.032
bonds (distance) P-C4' energy: -63.370
flat angles C4'-P-C4' energy: -68.969
flat angles P-C4'-P energy: -43.831
tors. eta vs tors. theta energy: -61.768
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: 6
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -724.645413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.645413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.645413 (E_RNA)
where:
Base-Base interactions energy: -457.243
where: short stacking energy: -222.671
Base-Backbone interact. energy: 1.118
local terms energy: -268.521122
where:
bonds (distance) C4'-P energy: -51.524
bonds (distance) P-C4' energy: -54.146
flat angles C4'-P-C4' energy: -61.314
flat angles P-C4'-P energy: -41.156
tors. eta vs tors. theta energy: -60.381
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: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -611.973498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.973498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.973498 (E_RNA)
where:
Base-Base interactions energy: -369.584
where: short stacking energy: -181.032
Base-Backbone interact. energy: 3.529
local terms energy: -245.918070
where:
bonds (distance) C4'-P energy: -55.274
bonds (distance) P-C4' energy: -59.541
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -31.096
tors. eta vs tors. theta energy: -39.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -559.207896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.207896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.207896 (E_RNA)
where:
Base-Base interactions energy: -344.105
where: short stacking energy: -156.403
Base-Backbone interact. energy: -0.038
local terms energy: -215.064366
where:
bonds (distance) C4'-P energy: -44.296
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -53.404
flat angles P-C4'-P energy: -28.153
tors. eta vs tors. theta energy: -33.520
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: 9
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -361.910021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.910021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.910021 (E_RNA)
where:
Base-Base interactions energy: -173.183
where: short stacking energy: -91.848
Base-Backbone interact. energy: -0.104
local terms energy: -188.623632
where:
bonds (distance) C4'-P energy: -62.585
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -57.509
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: 12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -261.584251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.584251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.584251 (E_RNA)
where:
Base-Base interactions energy: -78.426
where: short stacking energy: -62.854
Base-Backbone interact. energy: 0.553
local terms energy: -183.711150
where:
bonds (distance) C4'-P energy: -59.997
bonds (distance) P-C4' energy: -51.829
flat angles C4'-P-C4' energy: -51.697
flat angles P-C4'-P energy: -31.673
tors. eta vs tors. theta energy: 11.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1169.881110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.881110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.881110 (E_RNA)
where:
Base-Base interactions energy: -803.034
where: short stacking energy: -329.732
Base-Backbone interact. energy: 0.619
local terms energy: -367.465983
where:
bonds (distance) C4'-P energy: -64.212
bonds (distance) P-C4' energy: -72.139
flat angles C4'-P-C4' energy: -73.407
flat angles P-C4'-P energy: -49.135
tors. eta vs tors. theta energy: -108.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1084.935321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.935321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.935321 (E_RNA)
where:
Base-Base interactions energy: -733.771
where: short stacking energy: -305.527
Base-Backbone interact. energy: -3.192
local terms energy: -347.972424
where:
bonds (distance) C4'-P energy: -58.027
bonds (distance) P-C4' energy: -69.558
flat angles C4'-P-C4' energy: -75.423
flat angles P-C4'-P energy: -42.249
tors. eta vs tors. theta energy: -102.715
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: 3, replica: 8
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1032.030322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.030322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.030322 (E_RNA)
where:
Base-Base interactions energy: -681.358
where: short stacking energy: -293.370
Base-Backbone interact. energy: -1.062
local terms energy: -349.610814
where:
bonds (distance) C4'-P energy: -64.949
bonds (distance) P-C4' energy: -74.764
flat angles C4'-P-C4' energy: -67.411
flat angles P-C4'-P energy: -51.823
tors. eta vs tors. theta energy: -90.665
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: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -993.965933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.965933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.965933 (E_RNA)
where:
Base-Base interactions energy: -675.005
where: short stacking energy: -265.735
Base-Backbone interact. energy: -1.781
local terms energy: -317.179683
where:
bonds (distance) C4'-P energy: -65.087
bonds (distance) P-C4' energy: -55.472
flat angles C4'-P-C4' energy: -64.953
flat angles P-C4'-P energy: -48.148
tors. eta vs tors. theta energy: -83.520
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: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -865.850631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.850631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.850631 (E_RNA)
where:
Base-Base interactions energy: -545.602
where: short stacking energy: -237.344
Base-Backbone interact. energy: -1.650
local terms energy: -318.598764
where:
bonds (distance) C4'-P energy: -68.285
bonds (distance) P-C4' energy: -65.579
flat angles C4'-P-C4' energy: -78.771
flat angles P-C4'-P energy: -39.627
tors. eta vs tors. theta energy: -66.337
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: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -746.771130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.771130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.771130 (E_RNA)
where:
Base-Base interactions energy: -474.996
where: short stacking energy: -206.441
Base-Backbone interact. energy: -1.272
local terms energy: -270.503548
where:
bonds (distance) C4'-P energy: -63.603
bonds (distance) P-C4' energy: -60.575
flat angles C4'-P-C4' energy: -58.085
flat angles P-C4'-P energy: -39.457
tors. eta vs tors. theta energy: -48.783
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: 7, replica: 1
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -568.034372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.034372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.034372 (E_RNA)
where:
Base-Base interactions energy: -324.454
where: short stacking energy: -140.509
Base-Backbone interact. energy: -0.536
local terms energy: -243.043842
where:
bonds (distance) C4'-P energy: -50.201
bonds (distance) P-C4' energy: -71.990
flat angles C4'-P-C4' energy: -55.740
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -28.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -534.200618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.200618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.200618 (E_RNA)
where:
Base-Base interactions energy: -312.415
where: short stacking energy: -158.139
Base-Backbone interact. energy: 0.129
local terms energy: -221.914974
where:
bonds (distance) C4'-P energy: -57.637
bonds (distance) P-C4' energy: -56.334
flat angles C4'-P-C4' energy: -46.831
flat angles P-C4'-P energy: -35.517
tors. eta vs tors. theta energy: -25.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -386.135310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.135310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.135310 (E_RNA)
where:
Base-Base interactions energy: -186.837
where: short stacking energy: -99.844
Base-Backbone interact. energy: 1.691
local terms energy: -200.989789
where:
bonds (distance) C4'-P energy: -62.254
bonds (distance) P-C4' energy: -61.993
flat angles C4'-P-C4' energy: -53.984
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -284.056521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.056521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.056521 (E_RNA)
where:
Base-Base interactions energy: -91.180
where: short stacking energy: -78.708
Base-Backbone interact. energy: 0.885
local terms energy: -193.760889
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -68.202
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: 6.381
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: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1176.715360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.715360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.715360 (E_RNA)
where:
Base-Base interactions energy: -794.902
where: short stacking energy: -325.188
Base-Backbone interact. energy: -1.546
local terms energy: -380.267039
where:
bonds (distance) C4'-P energy: -68.907
bonds (distance) P-C4' energy: -72.248
flat angles C4'-P-C4' energy: -74.661
flat angles P-C4'-P energy: -59.740
tors. eta vs tors. theta energy: -104.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1111.530856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.530856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.530856 (E_RNA)
where:
Base-Base interactions energy: -754.360
where: short stacking energy: -307.564
Base-Backbone interact. energy: 1.451
local terms energy: -358.621632
where:
bonds (distance) C4'-P energy: -68.871
bonds (distance) P-C4' energy: -67.456
flat angles C4'-P-C4' energy: -72.565
flat angles P-C4'-P energy: -49.172
tors. eta vs tors. theta energy: -100.558
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: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -987.762125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.762125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.762125 (E_RNA)
where:
Base-Base interactions energy: -666.613
where: short stacking energy: -267.616
Base-Backbone interact. energy: -0.737
local terms energy: -320.412369
where:
bonds (distance) C4'-P energy: -59.790
bonds (distance) P-C4' energy: -68.206
flat angles C4'-P-C4' energy: -69.926
flat angles P-C4'-P energy: -51.935
tors. eta vs tors. theta energy: -70.556
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: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1009.730731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.730731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.730731 (E_RNA)
where:
Base-Base interactions energy: -692.966
where: short stacking energy: -276.791
Base-Backbone interact. energy: -1.356
local terms energy: -315.409233
where:
bonds (distance) C4'-P energy: -64.536
bonds (distance) P-C4' energy: -65.102
flat angles C4'-P-C4' energy: -67.220
flat angles P-C4'-P energy: -38.519
tors. eta vs tors. theta energy: -80.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -870.773541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.773541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.773541 (E_RNA)
where:
Base-Base interactions energy: -597.541
where: short stacking energy: -250.518
Base-Backbone interact. energy: -0.694
local terms energy: -272.538749
where:
bonds (distance) C4'-P energy: -53.729
bonds (distance) P-C4' energy: -61.920
flat angles C4'-P-C4' energy: -56.767
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -63.328
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: 497
Temperature: 1.150000
Total energy: -721.006338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.006338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.006338 (E_RNA)
where:
Base-Base interactions energy: -451.301
where: short stacking energy: -200.987
Base-Backbone interact. energy: -0.815
local terms energy: -268.889840
where:
bonds (distance) C4'-P energy: -65.251
bonds (distance) P-C4' energy: -59.795
flat angles C4'-P-C4' energy: -57.335
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: -47.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -570.886058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.886058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.886058 (E_RNA)
where:
Base-Base interactions energy: -346.420
where: short stacking energy: -162.328
Base-Backbone interact. energy: -0.823
local terms energy: -223.643384
where:
bonds (distance) C4'-P energy: -55.064
bonds (distance) P-C4' energy: -56.396
flat angles C4'-P-C4' energy: -48.082
flat angles P-C4'-P energy: -39.401
tors. eta vs tors. theta energy: -24.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -582.763341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.763341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.763341 (E_RNA)
where:
Base-Base interactions energy: -366.925
where: short stacking energy: -154.046
Base-Backbone interact. energy: -1.669
local terms energy: -214.169786
where:
bonds (distance) C4'-P energy: -42.211
bonds (distance) P-C4' energy: -65.684
flat angles C4'-P-C4' energy: -47.922
flat angles P-C4'-P energy: -33.030
tors. eta vs tors. theta energy: -25.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -369.225624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.225624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.225624 (E_RNA)
where:
Base-Base interactions energy: -163.605
where: short stacking energy: -101.338
Base-Backbone interact. energy: -0.107
local terms energy: -205.513180
where:
bonds (distance) C4'-P energy: -56.732
bonds (distance) P-C4' energy: -67.498
flat angles C4'-P-C4' energy: -54.190
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: 9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -294.277558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.277558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.277558 (E_RNA)
where:
Base-Base interactions energy: -128.603
where: short stacking energy: -83.360
Base-Backbone interact. energy: 0.850
local terms energy: -166.524025
where:
bonds (distance) C4'-P energy: -50.883
bonds (distance) P-C4' energy: -57.457
flat angles C4'-P-C4' energy: -30.825
flat angles P-C4'-P energy: -33.644
tors. eta vs tors. theta energy: 6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1169.967910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.967910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.967910 (E_RNA)
where:
Base-Base interactions energy: -808.985
where: short stacking energy: -326.655
Base-Backbone interact. energy: 0.331
local terms energy: -361.313855
where:
bonds (distance) C4'-P energy: -65.807
bonds (distance) P-C4' energy: -62.812
flat angles C4'-P-C4' energy: -71.631
flat angles P-C4'-P energy: -58.389
tors. eta vs tors. theta energy: -102.675
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: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1064.516634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.516634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.516634 (E_RNA)
where:
Base-Base interactions energy: -699.901
where: short stacking energy: -289.033
Base-Backbone interact. energy: -3.228
local terms energy: -361.387188
where:
bonds (distance) C4'-P energy: -66.115
bonds (distance) P-C4' energy: -81.342
flat angles C4'-P-C4' energy: -75.233
flat angles P-C4'-P energy: -47.426
tors. eta vs tors. theta energy: -91.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1033.364053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.364053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.364053 (E_RNA)
where:
Base-Base interactions energy: -706.373
where: short stacking energy: -305.034
Base-Backbone interact. energy: -0.741
local terms energy: -326.249690
where:
bonds (distance) C4'-P energy: -58.149
bonds (distance) P-C4' energy: -68.627
flat angles C4'-P-C4' energy: -71.509
flat angles P-C4'-P energy: -43.093
tors. eta vs tors. theta energy: -84.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -977.268900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.268900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.268900 (E_RNA)
where:
Base-Base interactions energy: -674.810
where: short stacking energy: -272.344
Base-Backbone interact. energy: 1.300
local terms energy: -303.758346
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -62.216
flat angles C4'-P-C4' energy: -70.826
flat angles P-C4'-P energy: -48.566
tors. eta vs tors. theta energy: -70.369
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: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -892.522762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.522762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.522762 (E_RNA)
where:
Base-Base interactions energy: -588.404
where: short stacking energy: -238.413
Base-Backbone interact. energy: 1.135
local terms energy: -305.498752
where:
bonds (distance) C4'-P energy: -63.687
bonds (distance) P-C4' energy: -54.174
flat angles C4'-P-C4' energy: -69.576
flat angles P-C4'-P energy: -40.855
tors. eta vs tors. theta energy: -77.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.246 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -717.255440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.255440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.255440 (E_RNA)
where:
Base-Base interactions energy: -452.909
where: short stacking energy: -192.564
Base-Backbone interact. energy: -1.798
local terms energy: -262.548535
where:
bonds (distance) C4'-P energy: -65.158
bonds (distance) P-C4' energy: -66.317
flat angles C4'-P-C4' energy: -50.068
flat angles P-C4'-P energy: -36.573
tors. eta vs tors. theta energy: -44.431
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: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -573.733523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.733523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.733523 (E_RNA)
where:
Base-Base interactions energy: -327.847
where: short stacking energy: -164.003
Base-Backbone interact. energy: -1.350
local terms energy: -244.536327
where:
bonds (distance) C4'-P energy: -62.658
bonds (distance) P-C4' energy: -72.321
flat angles C4'-P-C4' energy: -55.990
flat angles P-C4'-P energy: -30.843
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -552.566978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.566978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.566978 (E_RNA)
where:
Base-Base interactions energy: -340.487
where: short stacking energy: -159.164
Base-Backbone interact. energy: 0.323
local terms energy: -212.402866
where:
bonds (distance) C4'-P energy: -60.914
bonds (distance) P-C4' energy: -56.396
flat angles C4'-P-C4' energy: -46.688
flat angles P-C4'-P energy: -26.599
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -378.552113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.552113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.552113 (E_RNA)
where:
Base-Base interactions energy: -158.184
where: short stacking energy: -109.061
Base-Backbone interact. energy: -0.220
local terms energy: -220.148526
where:
bonds (distance) C4'-P energy: -49.083
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -58.851
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -9.294
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: 7
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -302.288622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.288622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.288622 (E_RNA)
where:
Base-Base interactions energy: -136.315
where: short stacking energy: -70.603
Base-Backbone interact. energy: 2.210
local terms energy: -168.184008
where:
bonds (distance) C4'-P energy: -59.753
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -38.103
flat angles P-C4'-P energy: -24.838
tors. eta vs tors. theta energy: 6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1181.561436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.561436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.561436 (E_RNA)
where:
Base-Base interactions energy: -802.951
where: short stacking energy: -314.571
Base-Backbone interact. energy: 1.470
local terms energy: -380.080391
where:
bonds (distance) C4'-P energy: -73.215
bonds (distance) P-C4' energy: -69.024
flat angles C4'-P-C4' energy: -79.202
flat angles P-C4'-P energy: -51.840
tors. eta vs tors. theta energy: -106.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1083.019136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.019136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.019136 (E_RNA)
where:
Base-Base interactions energy: -734.808
where: short stacking energy: -320.655
Base-Backbone interact. energy: -1.316
local terms energy: -346.894963
where:
bonds (distance) C4'-P energy: -63.216
bonds (distance) P-C4' energy: -59.542
flat angles C4'-P-C4' energy: -70.651
flat angles P-C4'-P energy: -52.730
tors. eta vs tors. theta energy: -100.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1061.297907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.297907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.297907 (E_RNA)
where:
Base-Base interactions energy: -727.828
where: short stacking energy: -330.387
Base-Backbone interact. energy: -0.240
local terms energy: -333.229624
where:
bonds (distance) C4'-P energy: -59.688
bonds (distance) P-C4' energy: -57.089
flat angles C4'-P-C4' energy: -71.738
flat angles P-C4'-P energy: -44.407
tors. eta vs tors. theta energy: -100.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1007.008122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.008122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.008122 (E_RNA)
where:
Base-Base interactions energy: -679.451
where: short stacking energy: -271.693
Base-Backbone interact. energy: 3.110
local terms energy: -330.667200
where:
bonds (distance) C4'-P energy: -62.045
bonds (distance) P-C4' energy: -55.880
flat angles C4'-P-C4' energy: -76.324
flat angles P-C4'-P energy: -50.405
tors. eta vs tors. theta energy: -86.014
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: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -884.506812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.506812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.506812 (E_RNA)
where:
Base-Base interactions energy: -579.293
where: short stacking energy: -247.954
Base-Backbone interact. energy: -0.541
local terms energy: -304.673504
where:
bonds (distance) C4'-P energy: -62.085
bonds (distance) P-C4' energy: -65.782
flat angles C4'-P-C4' energy: -61.168
flat angles P-C4'-P energy: -42.627
tors. eta vs tors. theta energy: -73.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -717.294094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.294094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.294094 (E_RNA)
where:
Base-Base interactions energy: -437.058
where: short stacking energy: -187.146
Base-Backbone interact. energy: 0.860
local terms energy: -281.095625
where:
bonds (distance) C4'-P energy: -65.566
bonds (distance) P-C4' energy: -50.928
flat angles C4'-P-C4' energy: -71.077
flat angles P-C4'-P energy: -46.253
tors. eta vs tors. theta energy: -47.272
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: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -575.341630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.341630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.341630 (E_RNA)
where:
Base-Base interactions energy: -354.723
where: short stacking energy: -191.867
Base-Backbone interact. energy: -0.962
local terms energy: -219.656117
where:
bonds (distance) C4'-P energy: -47.520
bonds (distance) P-C4' energy: -52.120
flat angles C4'-P-C4' energy: -63.677
flat angles P-C4'-P energy: -22.745
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: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -570.424095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.424095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.424095 (E_RNA)
where:
Base-Base interactions energy: -346.363
where: short stacking energy: -172.371
Base-Backbone interact. energy: -0.327
local terms energy: -223.733506
where:
bonds (distance) C4'-P energy: -43.984
bonds (distance) P-C4' energy: -62.651
flat angles C4'-P-C4' energy: -47.971
flat angles P-C4'-P energy: -39.160
tors. eta vs tors. theta energy: -29.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -387.571992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.571992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.571992 (E_RNA)
where:
Base-Base interactions energy: -179.549
where: short stacking energy: -106.139
Base-Backbone interact. energy: -1.782
local terms energy: -206.241484
where:
bonds (distance) C4'-P energy: -49.199
bonds (distance) P-C4' energy: -61.543
flat angles C4'-P-C4' energy: -59.398
flat angles P-C4'-P energy: -28.365
tors. eta vs tors. theta energy: -7.736
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: 7
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -302.462492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.462492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.462492 (E_RNA)
where:
Base-Base interactions energy: -110.762
where: short stacking energy: -75.138
Base-Backbone interact. energy: -1.847
local terms energy: -189.853472
where:
bonds (distance) C4'-P energy: -49.488
bonds (distance) P-C4' energy: -61.917
flat angles C4'-P-C4' energy: -52.911
flat angles P-C4'-P energy: -28.493
tors. eta vs tors. theta energy: 2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1179.242847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.242847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.242847 (E_RNA)
where:
Base-Base interactions energy: -796.342
where: short stacking energy: -323.921
Base-Backbone interact. energy: -2.120
local terms energy: -380.780714
where:
bonds (distance) C4'-P energy: -74.449
bonds (distance) P-C4' energy: -74.036
flat angles C4'-P-C4' energy: -73.628
flat angles P-C4'-P energy: -53.008
tors. eta vs tors. theta energy: -105.660
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: 3
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1066.196993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.196993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.196993 (E_RNA)
where:
Base-Base interactions energy: -737.930
where: short stacking energy: -290.843
Base-Backbone interact. energy: -1.786
local terms energy: -326.481122
where:
bonds (distance) C4'-P energy: -68.520
bonds (distance) P-C4' energy: -58.416
flat angles C4'-P-C4' energy: -69.544
flat angles P-C4'-P energy: -48.020
tors. eta vs tors. theta energy: -81.981
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: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1068.014332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.014332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.014332 (E_RNA)
where:
Base-Base interactions energy: -723.717
where: short stacking energy: -309.418
Base-Backbone interact. energy: -0.090
local terms energy: -344.207340
where:
bonds (distance) C4'-P energy: -64.243
bonds (distance) P-C4' energy: -64.761
flat angles C4'-P-C4' energy: -69.031
flat angles P-C4'-P energy: -50.112
tors. eta vs tors. theta energy: -96.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1000.839700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.839700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.839700 (E_RNA)
where:
Base-Base interactions energy: -680.088
where: short stacking energy: -287.295
Base-Backbone interact. energy: 1.363
local terms energy: -322.114331
where:
bonds (distance) C4'-P energy: -54.802
bonds (distance) P-C4' energy: -68.201
flat angles C4'-P-C4' energy: -67.397
flat angles P-C4'-P energy: -43.011
tors. eta vs tors. theta energy: -88.704
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: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -895.581931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.581931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.581931 (E_RNA)
where:
Base-Base interactions energy: -592.837
where: short stacking energy: -261.211
Base-Backbone interact. energy: -0.547
local terms energy: -302.198676
where:
bonds (distance) C4'-P energy: -62.059
bonds (distance) P-C4' energy: -66.126
flat angles C4'-P-C4' energy: -63.735
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -73.259
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: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -752.670463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.670463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.670463 (E_RNA)
where:
Base-Base interactions energy: -465.952
where: short stacking energy: -217.821
Base-Backbone interact. energy: -1.214
local terms energy: -285.504562
where:
bonds (distance) C4'-P energy: -60.488
bonds (distance) P-C4' energy: -57.803
flat angles C4'-P-C4' energy: -62.184
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: -67.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -568.534803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.534803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.534803 (E_RNA)
where:
Base-Base interactions energy: -335.375
where: short stacking energy: -162.941
Base-Backbone interact. energy: 0.254
local terms energy: -235.439782
where:
bonds (distance) C4'-P energy: -64.462
bonds (distance) P-C4' energy: -51.978
flat angles C4'-P-C4' energy: -47.646
flat angles P-C4'-P energy: -35.532
tors. eta vs tors. theta energy: -35.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.025 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -548.294432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.294432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.294432 (E_RNA)
where:
Base-Base interactions energy: -308.324
where: short stacking energy: -152.635
Base-Backbone interact. energy: -0.403
local terms energy: -239.567099
where:
bonds (distance) C4'-P energy: -59.533
bonds (distance) P-C4' energy: -54.429
flat angles C4'-P-C4' energy: -53.921
flat angles P-C4'-P energy: -34.296
tors. eta vs tors. theta energy: -37.387
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: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -366.886751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.886751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.886751 (E_RNA)
where:
Base-Base interactions energy: -185.422
where: short stacking energy: -100.505
Base-Backbone interact. energy: 1.065
local terms energy: -182.529791
where:
bonds (distance) C4'-P energy: -54.745
bonds (distance) P-C4' energy: -52.590
flat angles C4'-P-C4' energy: -40.132
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: -1.214
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: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -299.728120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.728120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.728120 (E_RNA)
where:
Base-Base interactions energy: -144.015
where: short stacking energy: -80.320
Base-Backbone interact. energy: 1.909
local terms energy: -157.622076
where:
bonds (distance) C4'-P energy: -40.953
bonds (distance) P-C4' energy: -54.727
flat angles C4'-P-C4' energy: -43.061
flat angles P-C4'-P energy: -22.042
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: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1183.498241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.498241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.498241 (E_RNA)
where:
Base-Base interactions energy: -818.073
where: short stacking energy: -344.867
Base-Backbone interact. energy: -1.475
local terms energy: -363.950617
where:
bonds (distance) C4'-P energy: -64.512
bonds (distance) P-C4' energy: -57.073
flat angles C4'-P-C4' energy: -75.830
flat angles P-C4'-P energy: -54.994
tors. eta vs tors. theta energy: -111.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1093.972845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.972845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.972845 (E_RNA)
where:
Base-Base interactions energy: -743.704
where: short stacking energy: -314.454
Base-Backbone interact. energy: -0.280
local terms energy: -349.988288
where:
bonds (distance) C4'-P energy: -60.049
bonds (distance) P-C4' energy: -72.471
flat angles C4'-P-C4' energy: -72.229
flat angles P-C4'-P energy: -45.935
tors. eta vs tors. theta energy: -99.305
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: 3, replica: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1057.183381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.183381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.183381 (E_RNA)
where:
Base-Base interactions energy: -711.928
where: short stacking energy: -285.681
Base-Backbone interact. energy: 0.468
local terms energy: -345.722928
where:
bonds (distance) C4'-P energy: -64.360
bonds (distance) P-C4' energy: -72.615
flat angles C4'-P-C4' energy: -73.623
flat angles P-C4'-P energy: -37.495
tors. eta vs tors. theta energy: -97.630
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: 501
Temperature: 1.050000
Total energy: -1001.443832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.443832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.443832 (E_RNA)
where:
Base-Base interactions energy: -674.891
where: short stacking energy: -288.534
Base-Backbone interact. energy: -0.819
local terms energy: -325.734274
where:
bonds (distance) C4'-P energy: -53.145
bonds (distance) P-C4' energy: -59.696
flat angles C4'-P-C4' energy: -68.306
flat angles P-C4'-P energy: -48.015
tors. eta vs tors. theta energy: -96.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -885.227749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.227749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.227749 (E_RNA)
where:
Base-Base interactions energy: -589.250
where: short stacking energy: -240.517
Base-Backbone interact. energy: -3.158
local terms energy: -292.820122
where:
bonds (distance) C4'-P energy: -56.709
bonds (distance) P-C4' energy: -56.566
flat angles C4'-P-C4' energy: -60.625
flat angles P-C4'-P energy: -42.460
tors. eta vs tors. theta energy: -76.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -744.852713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.852713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.852713 (E_RNA)
where:
Base-Base interactions energy: -485.081
where: short stacking energy: -201.709
Base-Backbone interact. energy: -2.629
local terms energy: -257.142850
where:
bonds (distance) C4'-P energy: -48.254
bonds (distance) P-C4' energy: -58.218
flat angles C4'-P-C4' energy: -62.772
flat angles P-C4'-P energy: -45.177
tors. eta vs tors. theta energy: -42.722
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: 7, replica: 1
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -624.611952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.611952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.611952 (E_RNA)
where:
Base-Base interactions energy: -376.272
where: short stacking energy: -181.854
Base-Backbone interact. energy: 1.983
local terms energy: -250.323617
where:
bonds (distance) C4'-P energy: -50.034
bonds (distance) P-C4' energy: -69.242
flat angles C4'-P-C4' energy: -66.018
flat angles P-C4'-P energy: -30.099
tors. eta vs tors. theta energy: -34.931
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: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -512.883948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.883948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.883948 (E_RNA)
where:
Base-Base interactions energy: -295.690
where: short stacking energy: -145.946
Base-Backbone interact. energy: 0.243
local terms energy: -217.436334
where:
bonds (distance) C4'-P energy: -53.267
bonds (distance) P-C4' energy: -65.228
flat angles C4'-P-C4' energy: -48.187
flat angles P-C4'-P energy: -31.218
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -375.757493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.757493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.757493 (E_RNA)
where:
Base-Base interactions energy: -175.602
where: short stacking energy: -110.513
Base-Backbone interact. energy: 0.133
local terms energy: -200.288693
where:
bonds (distance) C4'-P energy: -47.696
bonds (distance) P-C4' energy: -65.594
flat angles C4'-P-C4' energy: -41.903
flat angles P-C4'-P energy: -35.874
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: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -267.484784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.484784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.484784 (E_RNA)
where:
Base-Base interactions energy: -107.863
where: short stacking energy: -80.419
Base-Backbone interact. energy: -0.956
local terms energy: -158.666521
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -46.193
flat angles C4'-P-C4' energy: -44.422
flat angles P-C4'-P energy: -34.159
tors. eta vs tors. theta energy: 17.559
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)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 55768588
moves confirmed later: 61311392
all moves confirmed: 117079980
percent of confirmed moves: 14.634998
current total energy: -1118.460659
recalc. total energy: -1118.460659
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 56925700
moves confirmed later: 62499258
all moves confirmed: 119424958
percent of confirmed moves: 14.928120
current total energy: -1029.654134
recalc. total energy: -1029.654134
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 84291649
moves confirmed later: 98069604
all moves confirmed: 182361253
percent of confirmed moves: 22.795157
current total energy: -936.293333
recalc. total energy: -936.293333
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 89723245
moves confirmed later: 105050235
all moves confirmed: 194773480
percent of confirmed moves: 24.346685
current total energy: -935.870569
recalc. total energy: -935.870569
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 87867994
moves confirmed later: 102600219
all moves confirmed: 190468213
percent of confirmed moves: 23.808527
current total energy: -807.216004
recalc. total energy: -807.216004
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 77457885
moves confirmed later: 88747122
all moves confirmed: 166205007
percent of confirmed moves: 20.775626
current total energy: -637.050448
recalc. total energy: -637.050448
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 102816263
moves confirmed later: 122070507
all moves confirmed: 224886770
percent of confirmed moves: 28.110846
current total energy: -602.087587
recalc. total energy: -602.087587
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 72071548
moves confirmed later: 81931339
all moves confirmed: 154002887
percent of confirmed moves: 19.250361
current total energy: -392.027049
recalc. total energy: -392.027049
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 104069977
moves confirmed later: 123799812
all moves confirmed: 227869789
percent of confirmed moves: 28.483724
current total energy: -333.834858
recalc. total energy: -333.834858
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 127395398
moves confirmed later: 154378848
all moves confirmed: 281774246
percent of confirmed moves: 35.221781
current total energy: -197.771875
recalc. total energy: -197.771875
out arg RESULTS//1/Desitst2_72000-d283d032_01
Time of doing 8000000 iterations: 10071.864 seconds