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/Agnoprotein-722c30d3/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Agnoprotein-722c30d3/inputs/seq.fa: 2
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
curr_seq: _GCUGUCACGACAAGCUUCAGUGAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
chainId: B, chainSeq: GCUGUCACGACAAGCUUCAGUGAAA
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 26 nucleotides
chain B contains 25 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 51.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 51.000000 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/Agnoprotein-722c30d3/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Agnoprotein-722c30d3/inputs/seq.fa: 2
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
curr_seq: _GCUGUCACGACAAGCUUCAGUGAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
chainId: B, chainSeq: GCUGUCACGACAAGCUUCAGUGAAA
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 26 nucleotides
chain B contains 25 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 51.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 51.000000 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/Agnoprotein-722c30d3/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Agnoprotein-722c30d3/inputs/seq.fa: 2
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
curr_seq: _GCUGUCACGACAAGCUUCAGUGAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
chainId: B, chainSeq: GCUGUCACGACAAGCUUCAGUGAAA
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 26 nucleotides
chain B contains 25 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 51.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 51.000000 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/Agnoprotein-722c30d3/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Agnoprotein-722c30d3/inputs/seq.fa: 2
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
curr_seq: _GCUGUCACGACAAGCUUCAGUGAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
chainId: B, chainSeq: GCUGUCACGACAAGCUUCAGUGAAA
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 26 nucleotides
chain B contains 25 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 51.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 51.000000 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/Agnoprotein-722c30d3/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Agnoprotein-722c30d3/inputs/seq.fa: 2
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
curr_seq: _GCUGUCACGACAAGCUUCAGUGAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
chainId: B, chainSeq: GCUGUCACGACAAGCUUCAGUGAAA
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 26 nucleotides
chain B contains 25 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 51.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 51.000000 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/Agnoprotein-722c30d3/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Agnoprotein-722c30d3/inputs/seq.fa: 2
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
curr_seq: _GCUGUCACGACAAGCUUCAGUGAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
chainId: B, chainSeq: GCUGUCACGACAAGCUUCAGUGAAA
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 26 nucleotides
chain B contains 25 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 51.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 51.000000 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/Agnoprotein-722c30d3/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Agnoprotein-722c30d3/inputs/seq.fa: 2
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
curr_seq: _GCUGUCACGACAAGCUUCAGUGAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
chainId: B, chainSeq: GCUGUCACGACAAGCUUCAGUGAAA
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 26 nucleotides
chain B contains 25 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 51.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 51.000000 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/Agnoprotein-722c30d3/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Agnoprotein-722c30d3/inputs/seq.fa: 2
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
curr_seq: _GCUGUCACGACAAGCUUCAGUGAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
chainId: B, chainSeq: GCUGUCACGACAAGCUUCAGUGAAA
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 26 nucleotides
chain B contains 25 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 51.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 51.000000 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/Agnoprotein-722c30d3/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Agnoprotein-722c30d3/inputs/seq.fa: 2
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
curr_seq: _GCUGUCACGACAAGCUUCAGUGAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
chainId: B, chainSeq: GCUGUCACGACAAGCUUCAGUGAAA
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 26 nucleotides
chain B contains 25 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 51.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 51.000000 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/Agnoprotein-722c30d3/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Agnoprotein-722c30d3/inputs/seq.fa: 2
curr_seq: _CGACAGUGUCUGUUCGAAGUCACUUU_
curr_seq: _GCUGUCACGACAAGCUUCAGUGAAA_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CGACAGUGUCUGUUCGAAGUCACUUU
chainId: B, chainSeq: GCUGUCACGACAAGCUUCAGUGAAA
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 26 nucleotides
chain B contains 25 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: 265
n_atoms_counter: 265
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 51.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 51.000000 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: -164.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914363 (E_RNA)
where:
Base-Base interactions energy: -9.291
where: short stacking energy: -9.291
Base-Backbone interact. energy: -0.000
local terms energy: -199.280667
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 43.658 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -164.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914363 (E_RNA)
where:
Base-Base interactions energy: -9.291
where: short stacking energy: -9.291
Base-Backbone interact. energy: -0.000
local terms energy: -199.280667
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 43.658 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -164.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914363 (E_RNA)
where:
Base-Base interactions energy: -9.291
where: short stacking energy: -9.291
Base-Backbone interact. energy: -0.000
local terms energy: -199.280667
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 43.658 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -164.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914363 (E_RNA)
where:
Base-Base interactions energy: -9.291
where: short stacking energy: -9.291
Base-Backbone interact. energy: -0.000
local terms energy: -199.280667
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 43.658 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -164.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914363 (E_RNA)
where:
Base-Base interactions energy: -9.291
where: short stacking energy: -9.291
Base-Backbone interact. energy: -0.000
local terms energy: -199.280667
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 43.658 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -164.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914363 (E_RNA)
where:
Base-Base interactions energy: -9.291
where: short stacking energy: -9.291
Base-Backbone interact. energy: -0.000
local terms energy: -199.280667
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 43.658 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -164.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914363 (E_RNA)
where:
Base-Base interactions energy: -9.291
where: short stacking energy: -9.291
Base-Backbone interact. energy: -0.000
local terms energy: -199.280667
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 43.658 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -164.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914363 (E_RNA)
where:
Base-Base interactions energy: -9.291
where: short stacking energy: -9.291
Base-Backbone interact. energy: -0.000
local terms energy: -199.280667
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 43.658 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -164.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914363 (E_RNA)
where:
Base-Base interactions energy: -9.291
where: short stacking energy: -9.291
Base-Backbone interact. energy: -0.000
local terms energy: -199.280667
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 43.658 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -164.914363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914363 (E_RNA)
where:
Base-Base interactions energy: -9.291
where: short stacking energy: -9.291
Base-Backbone interact. energy: -0.000
local terms energy: -199.280667
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -42.834
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 43.658 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -291.092379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.092379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.092379 (E_RNA)
where:
Base-Base interactions energy: -116.889
where: short stacking energy: -116.889
Base-Backbone interact. energy: -0.083
local terms energy: -174.120601
where:
bonds (distance) C4'-P energy: -38.680
bonds (distance) P-C4' energy: -40.514
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -27.507
tors. eta vs tors. theta energy: -34.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -269.044969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.044969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.044969 (E_RNA)
where:
Base-Base interactions energy: -114.350
where: short stacking energy: -112.739
Base-Backbone interact. energy: -0.078
local terms energy: -155.210781
where:
bonds (distance) C4'-P energy: -36.996
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -29.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.594 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -243.850707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.850707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.850707 (E_RNA)
where:
Base-Base interactions energy: -105.755
where: short stacking energy: -105.755
Base-Backbone interact. energy: 0.057
local terms energy: -138.153512
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -36.217
flat angles C4'-P-C4' energy: -38.839
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -25.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -220.320807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.320807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.320807 (E_RNA)
where:
Base-Base interactions energy: -102.160
where: short stacking energy: -78.270
Base-Backbone interact. energy: 1.344
local terms energy: -119.893396
where:
bonds (distance) C4'-P energy: -28.450
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -30.473
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.389 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -228.640906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.640906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.640906 (E_RNA)
where:
Base-Base interactions energy: -85.616
where: short stacking energy: -85.616
Base-Backbone interact. energy: -0.254
local terms energy: -142.771088
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -33.577
flat angles P-C4'-P energy: -20.460
tors. eta vs tors. theta energy: -23.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -204.986957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.986957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.986957 (E_RNA)
where:
Base-Base interactions energy: -84.464
where: short stacking energy: -83.782
Base-Backbone interact. energy: -0.223
local terms energy: -120.300235
where:
bonds (distance) C4'-P energy: -33.890
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -25.746
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -195.220267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.220267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.220267 (E_RNA)
where:
Base-Base interactions energy: -60.746
where: short stacking energy: -60.746
Base-Backbone interact. energy: -0.132
local terms energy: -135.197200
where:
bonds (distance) C4'-P energy: -34.222
bonds (distance) P-C4' energy: -36.225
flat angles C4'-P-C4' energy: -26.634
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.854 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -179.587675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.587675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.587675 (E_RNA)
where:
Base-Base interactions energy: -64.764
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.198
local terms energy: -114.625877
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -30.289
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -173.042142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.042142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.042142 (E_RNA)
where:
Base-Base interactions energy: -27.374
where: short stacking energy: -27.374
Base-Backbone interact. energy: -0.000
local terms energy: -176.876499
where:
bonds (distance) C4'-P energy: -41.843
bonds (distance) P-C4' energy: -42.059
flat angles C4'-P-C4' energy: -34.053
flat angles P-C4'-P energy: -40.149
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 31.209 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -174.388501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.388501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.388501 (E_RNA)
where:
Base-Base interactions energy: -50.805
where: short stacking energy: -48.522
Base-Backbone interact. energy: -0.208
local terms energy: -123.376068
where:
bonds (distance) C4'-P energy: -32.757
bonds (distance) P-C4' energy: -35.542
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -11.910
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -292.686524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.686524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.686524 (E_RNA)
where:
Base-Base interactions energy: -143.094
where: short stacking energy: -110.917
Base-Backbone interact. energy: -0.098
local terms energy: -149.493894
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -32.075
flat angles C4'-P-C4' energy: -34.752
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -26.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -265.517032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.517032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.517032 (E_RNA)
where:
Base-Base interactions energy: -111.834
where: short stacking energy: -108.611
Base-Backbone interact. energy: -0.390
local terms energy: -153.292985
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -35.701
flat angles C4'-P-C4' energy: -29.534
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -29.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -260.932434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.932434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.932434 (E_RNA)
where:
Base-Base interactions energy: -116.284
where: short stacking energy: -90.824
Base-Backbone interact. energy: -0.062
local terms energy: -144.586286
where:
bonds (distance) C4'-P energy: -32.069
bonds (distance) P-C4' energy: -35.900
flat angles C4'-P-C4' energy: -33.633
flat angles P-C4'-P energy: -25.649
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -315.278126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.278126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.278126 (E_RNA)
where:
Base-Base interactions energy: -204.503
where: short stacking energy: -78.567
Base-Backbone interact. energy: 3.142
local terms energy: -113.917486
where:
bonds (distance) C4'-P energy: -32.027
bonds (distance) P-C4' energy: -35.818
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -217.602123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.602123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.602123 (E_RNA)
where:
Base-Base interactions energy: -105.186
where: short stacking energy: -79.987
Base-Backbone interact. energy: -0.082
local terms energy: -112.333480
where:
bonds (distance) C4'-P energy: -32.435
bonds (distance) P-C4' energy: -33.703
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -13.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -208.302737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.302737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.302737 (E_RNA)
where:
Base-Base interactions energy: -106.196
where: short stacking energy: -58.846
Base-Backbone interact. energy: -0.561
local terms energy: -101.545730
where:
bonds (distance) C4'-P energy: -32.617
bonds (distance) P-C4' energy: -31.719
flat angles C4'-P-C4' energy: -24.421
flat angles P-C4'-P energy: -19.358
tors. eta vs tors. theta energy: 6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -190.852881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.852881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.852881 (E_RNA)
where:
Base-Base interactions energy: -79.748
where: short stacking energy: -60.046
Base-Backbone interact. energy: -0.023
local terms energy: -111.082119
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -34.555
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -170.465531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.465531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.465531 (E_RNA)
where:
Base-Base interactions energy: -70.008
where: short stacking energy: -63.137
Base-Backbone interact. energy: 2.531
local terms energy: -102.987915
where:
bonds (distance) C4'-P energy: -25.673
bonds (distance) P-C4' energy: -32.510
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -171.588873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.588873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.588873 (E_RNA)
where:
Base-Base interactions energy: -50.737
where: short stacking energy: -45.935
Base-Backbone interact. energy: -0.201
local terms energy: -122.455086
where:
bonds (distance) C4'-P energy: -31.125
bonds (distance) P-C4' energy: -31.830
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -21.366
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.804 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -144.660320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.660320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.660320 (E_RNA)
where:
Base-Base interactions energy: -46.675
where: short stacking energy: -42.293
Base-Backbone interact. energy: 0.796
local terms energy: -98.780758
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -32.154
flat angles C4'-P-C4' energy: -26.696
flat angles P-C4'-P energy: -18.003
tors. eta vs tors. theta energy: 4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -358.075849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.075849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.075849 (E_RNA)
where:
Base-Base interactions energy: -192.184
where: short stacking energy: -123.500
Base-Backbone interact. energy: 0.589
local terms energy: -166.480580
where:
bonds (distance) C4'-P energy: -37.198
bonds (distance) P-C4' energy: -35.268
flat angles C4'-P-C4' energy: -37.930
flat angles P-C4'-P energy: -23.301
tors. eta vs tors. theta energy: -32.784
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: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -269.143207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.143207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.143207 (E_RNA)
where:
Base-Base interactions energy: -129.991
where: short stacking energy: -85.532
Base-Backbone interact. energy: -0.604
local terms energy: -138.548447
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -35.374
flat angles C4'-P-C4' energy: -34.580
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -412.468295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.468295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.468295 (E_RNA)
where:
Base-Base interactions energy: -260.982
where: short stacking energy: -101.057
Base-Backbone interact. energy: 2.003
local terms energy: -153.489351
where:
bonds (distance) C4'-P energy: -37.067
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -33.593
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -28.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -256.893110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.893110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.893110 (E_RNA)
where:
Base-Base interactions energy: -115.368
where: short stacking energy: -74.360
Base-Backbone interact. energy: -0.026
local terms energy: -141.499750
where:
bonds (distance) C4'-P energy: -33.633
bonds (distance) P-C4' energy: -38.051
flat angles C4'-P-C4' energy: -32.912
flat angles P-C4'-P energy: -24.134
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -216.592108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.592108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.592108 (E_RNA)
where:
Base-Base interactions energy: -92.955
where: short stacking energy: -85.305
Base-Backbone interact. energy: -0.765
local terms energy: -122.871656
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -29.485
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -13.554
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: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -198.216667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.216667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.216667 (E_RNA)
where:
Base-Base interactions energy: -65.235
where: short stacking energy: -65.235
Base-Backbone interact. energy: -0.136
local terms energy: -132.846101
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -34.928
flat angles C4'-P-C4' energy: -31.611
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -10.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -191.705864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.705864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.705864 (E_RNA)
where:
Base-Base interactions energy: -81.300
where: short stacking energy: -68.951
Base-Backbone interact. energy: -0.295
local terms energy: -110.111094
where:
bonds (distance) C4'-P energy: -23.671
bonds (distance) P-C4' energy: -31.728
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -6.727
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: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -198.948259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.948259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.948259 (E_RNA)
where:
Base-Base interactions energy: -87.554
where: short stacking energy: -63.787
Base-Backbone interact. energy: 1.354
local terms energy: -112.748474
where:
bonds (distance) C4'-P energy: -26.639
bonds (distance) P-C4' energy: -27.877
flat angles C4'-P-C4' energy: -29.325
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -158.916505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.916505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.916505 (E_RNA)
where:
Base-Base interactions energy: -60.902
where: short stacking energy: -49.672
Base-Backbone interact. energy: -0.261
local terms energy: -97.753320
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -33.749
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -10.612
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: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -145.634553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.634553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.634553 (E_RNA)
where:
Base-Base interactions energy: -52.339
where: short stacking energy: -45.075
Base-Backbone interact. energy: -0.382
local terms energy: -92.913133
where:
bonds (distance) C4'-P energy: -25.660
bonds (distance) P-C4' energy: -29.844
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -5.813
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -411.336880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.336880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.336880 (E_RNA)
where:
Base-Base interactions energy: -240.884
where: short stacking energy: -131.169
Base-Backbone interact. energy: -0.708
local terms energy: -169.744602
where:
bonds (distance) C4'-P energy: -37.021
bonds (distance) P-C4' energy: -34.827
flat angles C4'-P-C4' energy: -39.777
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -36.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -435.913276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.913276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.913276 (E_RNA)
where:
Base-Base interactions energy: -294.055
where: short stacking energy: -110.244
Base-Backbone interact. energy: -0.870
local terms energy: -140.987654
where:
bonds (distance) C4'-P energy: -28.148
bonds (distance) P-C4' energy: -37.636
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -25.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -296.849618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.849618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.849618 (E_RNA)
where:
Base-Base interactions energy: -154.469
where: short stacking energy: -103.631
Base-Backbone interact. energy: 0.525
local terms energy: -142.905589
where:
bonds (distance) C4'-P energy: -36.925
bonds (distance) P-C4' energy: -33.255
flat angles C4'-P-C4' energy: -31.090
flat angles P-C4'-P energy: -20.183
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -262.148303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.148303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.148303 (E_RNA)
where:
Base-Base interactions energy: -118.930
where: short stacking energy: -82.888
Base-Backbone interact. energy: -0.234
local terms energy: -142.984710
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -28.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -254.380811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.380811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.380811 (E_RNA)
where:
Base-Base interactions energy: -126.645
where: short stacking energy: -83.421
Base-Backbone interact. energy: 0.930
local terms energy: -128.665711
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -36.874
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -210.000546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.000546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.000546 (E_RNA)
where:
Base-Base interactions energy: -91.637
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.565
local terms energy: -118.595551
where:
bonds (distance) C4'-P energy: -30.243
bonds (distance) P-C4' energy: -35.731
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.797 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -178.403360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.403360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.403360 (E_RNA)
where:
Base-Base interactions energy: -78.352
where: short stacking energy: -44.782
Base-Backbone interact. energy: -1.488
local terms energy: -98.563045
where:
bonds (distance) C4'-P energy: -32.231
bonds (distance) P-C4' energy: -29.989
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: 8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -186.930136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.930136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.930136 (E_RNA)
where:
Base-Base interactions energy: -87.393
where: short stacking energy: -44.756
Base-Backbone interact. energy: -0.718
local terms energy: -98.819211
where:
bonds (distance) C4'-P energy: -30.855
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: 8.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -169.189802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.189802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.189802 (E_RNA)
where:
Base-Base interactions energy: -58.145
where: short stacking energy: -45.963
Base-Backbone interact. energy: -0.463
local terms energy: -110.581551
where:
bonds (distance) C4'-P energy: -33.786
bonds (distance) P-C4' energy: -27.644
flat angles C4'-P-C4' energy: -29.764
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: 1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -168.975410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.975410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.975410 (E_RNA)
where:
Base-Base interactions energy: -69.252
where: short stacking energy: -47.158
Base-Backbone interact. energy: -0.430
local terms energy: -99.292943
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -37.513
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -6.606
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: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -455.664319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.664319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.664319 (E_RNA)
where:
Base-Base interactions energy: -303.202
where: short stacking energy: -130.114
Base-Backbone interact. energy: -0.785
local terms energy: -153.217610
where:
bonds (distance) C4'-P energy: -31.043
bonds (distance) P-C4' energy: -34.777
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -25.935
tors. eta vs tors. theta energy: -28.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.541 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -417.360597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.360597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.360597 (E_RNA)
where:
Base-Base interactions energy: -263.128
where: short stacking energy: -120.842
Base-Backbone interact. energy: -1.110
local terms energy: -153.666934
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -37.815
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -28.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.545 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -299.741173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.741173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.741173 (E_RNA)
where:
Base-Base interactions energy: -169.967
where: short stacking energy: -93.296
Base-Backbone interact. energy: -0.323
local terms energy: -129.451439
where:
bonds (distance) C4'-P energy: -33.426
bonds (distance) P-C4' energy: -33.028
flat angles C4'-P-C4' energy: -34.692
flat angles P-C4'-P energy: -17.062
tors. eta vs tors. theta energy: -11.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -262.314388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.314388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.314388 (E_RNA)
where:
Base-Base interactions energy: -131.184
where: short stacking energy: -81.447
Base-Backbone interact. energy: -0.586
local terms energy: -130.545186
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -31.661
flat angles C4'-P-C4' energy: -40.738
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -274.746067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.746067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.746067 (E_RNA)
where:
Base-Base interactions energy: -164.026
where: short stacking energy: -77.160
Base-Backbone interact. energy: -0.331
local terms energy: -110.389320
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -210.764723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.764723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.764723 (E_RNA)
where:
Base-Base interactions energy: -107.217
where: short stacking energy: -95.338
Base-Backbone interact. energy: -0.536
local terms energy: -103.030983
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -28.074
flat angles C4'-P-C4' energy: -27.537
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.019 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -189.829146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.829146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.829146 (E_RNA)
where:
Base-Base interactions energy: -84.066
where: short stacking energy: -53.157
Base-Backbone interact. energy: -0.330
local terms energy: -105.651751
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -32.535
flat angles C4'-P-C4' energy: -29.892
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -7.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.219 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -176.357049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.357049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.357049 (E_RNA)
where:
Base-Base interactions energy: -68.255
where: short stacking energy: -43.636
Base-Backbone interact. energy: -0.328
local terms energy: -107.773612
where:
bonds (distance) C4'-P energy: -32.144
bonds (distance) P-C4' energy: -32.075
flat angles C4'-P-C4' energy: -23.638
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -186.380208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.380208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.380208 (E_RNA)
where:
Base-Base interactions energy: -61.951
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.582
local terms energy: -123.847735
where:
bonds (distance) C4'-P energy: -27.746
bonds (distance) P-C4' energy: -35.143
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -151.999521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.999521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.999521 (E_RNA)
where:
Base-Base interactions energy: -55.784
where: short stacking energy: -43.783
Base-Backbone interact. energy: -1.643
local terms energy: -96.135155
where:
bonds (distance) C4'-P energy: -28.971
bonds (distance) P-C4' energy: -31.711
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: 3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.563 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -458.080864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.080864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.080864 (E_RNA)
where:
Base-Base interactions energy: -301.652
where: short stacking energy: -127.006
Base-Backbone interact. energy: -1.146
local terms energy: -155.282325
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -36.527
flat angles C4'-P-C4' energy: -35.062
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -33.508
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: 7
Temperature: 0.950000
Total energy: -412.872045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.872045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.872045 (E_RNA)
where:
Base-Base interactions energy: -267.202
where: short stacking energy: -117.293
Base-Backbone interact. energy: 0.381
local terms energy: -146.050586
where:
bonds (distance) C4'-P energy: -21.892
bonds (distance) P-C4' energy: -34.452
flat angles C4'-P-C4' energy: -30.179
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -32.879
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: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -285.494325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.494325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.494325 (E_RNA)
where:
Base-Base interactions energy: -138.311
where: short stacking energy: -96.410
Base-Backbone interact. energy: -0.506
local terms energy: -146.677053
where:
bonds (distance) C4'-P energy: -32.607
bonds (distance) P-C4' energy: -36.720
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: -21.820
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: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -296.447726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.447726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.447726 (E_RNA)
where:
Base-Base interactions energy: -165.252
where: short stacking energy: -88.667
Base-Backbone interact. energy: -0.313
local terms energy: -130.882731
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -18.503
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: 5, replica: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -255.700893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.700893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.700893 (E_RNA)
where:
Base-Base interactions energy: -149.478
where: short stacking energy: -61.469
Base-Backbone interact. energy: 0.397
local terms energy: -106.620740
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -234.637306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.637306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.637306 (E_RNA)
where:
Base-Base interactions energy: -112.401
where: short stacking energy: -76.638
Base-Backbone interact. energy: -1.589
local terms energy: -120.646806
where:
bonds (distance) C4'-P energy: -31.212
bonds (distance) P-C4' energy: -30.712
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -222.291845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.291845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.291845 (E_RNA)
where:
Base-Base interactions energy: -102.733
where: short stacking energy: -76.155
Base-Backbone interact. energy: 0.052
local terms energy: -119.744513
where:
bonds (distance) C4'-P energy: -32.726
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -33.586
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.134 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -158.592520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.592520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.592520 (E_RNA)
where:
Base-Base interactions energy: -49.997
where: short stacking energy: -37.895
Base-Backbone interact. energy: -1.101
local terms energy: -107.494944
where:
bonds (distance) C4'-P energy: -25.228
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -27.852
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: 4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -210.176145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.176145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.176145 (E_RNA)
where:
Base-Base interactions energy: -98.596
where: short stacking energy: -57.628
Base-Backbone interact. energy: 0.608
local terms energy: -112.839320
where:
bonds (distance) C4'-P energy: -32.093
bonds (distance) P-C4' energy: -28.467
flat angles C4'-P-C4' energy: -35.854
flat angles P-C4'-P energy: -8.917
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: 0.652 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -154.907765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.907765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.907765 (E_RNA)
where:
Base-Base interactions energy: -54.767
where: short stacking energy: -47.861
Base-Backbone interact. energy: -1.455
local terms energy: -98.685468
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -34.179
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: 2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -452.862647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.862647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.862647 (E_RNA)
where:
Base-Base interactions energy: -304.192
where: short stacking energy: -126.763
Base-Backbone interact. energy: -0.166
local terms energy: -148.504812
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -37.157
flat angles C4'-P-C4' energy: -33.017
flat angles P-C4'-P energy: -20.084
tors. eta vs tors. theta energy: -32.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -436.279920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.279920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.279920 (E_RNA)
where:
Base-Base interactions energy: -281.869
where: short stacking energy: -135.811
Base-Backbone interact. energy: 0.542
local terms energy: -154.953525
where:
bonds (distance) C4'-P energy: -30.943
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -22.141
tors. eta vs tors. theta energy: -35.185
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: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -321.425198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.425198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.425198 (E_RNA)
where:
Base-Base interactions energy: -189.992
where: short stacking energy: -97.885
Base-Backbone interact. energy: -1.473
local terms energy: -129.960357
where:
bonds (distance) C4'-P energy: -28.492
bonds (distance) P-C4' energy: -35.696
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -279.939671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.939671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.939671 (E_RNA)
where:
Base-Base interactions energy: -140.549
where: short stacking energy: -86.137
Base-Backbone interact. energy: -0.027
local terms energy: -139.364263
where:
bonds (distance) C4'-P energy: -29.351
bonds (distance) P-C4' energy: -35.961
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -328.359157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.359157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.359157 (E_RNA)
where:
Base-Base interactions energy: -198.393
where: short stacking energy: -96.960
Base-Backbone interact. energy: -2.260
local terms energy: -128.367015
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -27.814
flat angles P-C4'-P energy: -17.170
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.661 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -217.197233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.197233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.197233 (E_RNA)
where:
Base-Base interactions energy: -103.437
where: short stacking energy: -76.274
Base-Backbone interact. energy: 2.509
local terms energy: -116.269276
where:
bonds (distance) C4'-P energy: -33.598
bonds (distance) P-C4' energy: -31.223
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -20.829
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -189.096171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.096171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.096171 (E_RNA)
where:
Base-Base interactions energy: -68.528
where: short stacking energy: -55.331
Base-Backbone interact. energy: 0.032
local terms energy: -120.599982
where:
bonds (distance) C4'-P energy: -34.871
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -31.947
flat angles P-C4'-P energy: -15.961
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: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -196.167277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.167277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.167277 (E_RNA)
where:
Base-Base interactions energy: -81.454
where: short stacking energy: -67.105
Base-Backbone interact. energy: -0.427
local terms energy: -114.286060
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -28.852
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -10.031
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: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -186.127100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.127100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.127100 (E_RNA)
where:
Base-Base interactions energy: -76.344
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.344
local terms energy: -109.439530
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -29.048
flat angles C4'-P-C4' energy: -29.085
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -147.762822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.762822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.762822 (E_RNA)
where:
Base-Base interactions energy: -51.528
where: short stacking energy: -39.251
Base-Backbone interact. energy: -0.431
local terms energy: -95.803766
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -31.353
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -490.197938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.197938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.197938 (E_RNA)
where:
Base-Base interactions energy: -336.346
where: short stacking energy: -143.080
Base-Backbone interact. energy: -0.723
local terms energy: -153.128651
where:
bonds (distance) C4'-P energy: -34.802
bonds (distance) P-C4' energy: -29.853
flat angles C4'-P-C4' energy: -31.458
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -37.813
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: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -435.897202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.897202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.897202 (E_RNA)
where:
Base-Base interactions energy: -276.545
where: short stacking energy: -129.083
Base-Backbone interact. energy: 0.447
local terms energy: -159.799658
where:
bonds (distance) C4'-P energy: -34.630
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -32.666
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -35.480
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: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -340.793291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.793291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.793291 (E_RNA)
where:
Base-Base interactions energy: -191.319
where: short stacking energy: -113.189
Base-Backbone interact. energy: -0.211
local terms energy: -149.263526
where:
bonds (distance) C4'-P energy: -28.010
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -30.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -367.522382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.522382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.522382 (E_RNA)
where:
Base-Base interactions energy: -221.884
where: short stacking energy: -119.079
Base-Backbone interact. energy: -0.494
local terms energy: -145.144382
where:
bonds (distance) C4'-P energy: -32.375
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -32.580
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: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -281.723334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.723334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.723334 (E_RNA)
where:
Base-Base interactions energy: -150.622
where: short stacking energy: -90.835
Base-Backbone interact. energy: -0.154
local terms energy: -130.947447
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -202.351920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.351920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.351920 (E_RNA)
where:
Base-Base interactions energy: -74.132
where: short stacking energy: -68.027
Base-Backbone interact. energy: 0.161
local terms energy: -130.020531
where:
bonds (distance) C4'-P energy: -35.973
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -19.982
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.640 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -183.905722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.905722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.905722 (E_RNA)
where:
Base-Base interactions energy: -68.005
where: short stacking energy: -55.482
Base-Backbone interact. energy: -0.004
local terms energy: -115.897223
where:
bonds (distance) C4'-P energy: -33.889
bonds (distance) P-C4' energy: -30.768
flat angles C4'-P-C4' energy: -31.871
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -3.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -199.713543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.713543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.713543 (E_RNA)
where:
Base-Base interactions energy: -86.984
where: short stacking energy: -47.160
Base-Backbone interact. energy: 1.123
local terms energy: -113.852943
where:
bonds (distance) C4'-P energy: -29.147
bonds (distance) P-C4' energy: -37.551
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -179.619321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.619321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.619321 (E_RNA)
where:
Base-Base interactions energy: -81.169
where: short stacking energy: -61.029
Base-Backbone interact. energy: -0.105
local terms energy: -98.345734
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -30.775
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -169.277375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.277375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.277375 (E_RNA)
where:
Base-Base interactions energy: -59.573
where: short stacking energy: -54.671
Base-Backbone interact. energy: -0.183
local terms energy: -110.072666
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -33.943
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.552 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -492.039529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.039529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.039529 (E_RNA)
where:
Base-Base interactions energy: -318.427
where: short stacking energy: -144.392
Base-Backbone interact. energy: -0.393
local terms energy: -173.219544
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -38.296
flat angles C4'-P-C4' energy: -37.038
flat angles P-C4'-P energy: -24.198
tors. eta vs tors. theta energy: -40.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -444.051297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.051297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.051297 (E_RNA)
where:
Base-Base interactions energy: -285.103
where: short stacking energy: -114.142
Base-Backbone interact. energy: -0.214
local terms energy: -158.734105
where:
bonds (distance) C4'-P energy: -39.635
bonds (distance) P-C4' energy: -34.565
flat angles C4'-P-C4' energy: -33.192
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -29.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -393.718362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.718362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.718362 (E_RNA)
where:
Base-Base interactions energy: -239.405
where: short stacking energy: -104.538
Base-Backbone interact. energy: -0.778
local terms energy: -153.535422
where:
bonds (distance) C4'-P energy: -28.355
bonds (distance) P-C4' energy: -38.581
flat angles C4'-P-C4' energy: -36.083
flat angles P-C4'-P energy: -25.237
tors. eta vs tors. theta energy: -25.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -362.642854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.642854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.642854 (E_RNA)
where:
Base-Base interactions energy: -233.911
where: short stacking energy: -108.623
Base-Backbone interact. energy: -1.380
local terms energy: -127.351721
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -29.405
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -289.139448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.139448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.139448 (E_RNA)
where:
Base-Base interactions energy: -155.943
where: short stacking energy: -95.800
Base-Backbone interact. energy: -1.193
local terms energy: -132.003601
where:
bonds (distance) C4'-P energy: -27.834
bonds (distance) P-C4' energy: -34.480
flat angles C4'-P-C4' energy: -32.759
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -224.862235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.862235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.862235 (E_RNA)
where:
Base-Base interactions energy: -115.812
where: short stacking energy: -69.010
Base-Backbone interact. energy: -0.244
local terms energy: -108.806717
where:
bonds (distance) C4'-P energy: -27.675
bonds (distance) P-C4' energy: -31.969
flat angles C4'-P-C4' energy: -25.042
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -183.904138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.904138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.904138 (E_RNA)
where:
Base-Base interactions energy: -72.535
where: short stacking energy: -52.936
Base-Backbone interact. energy: -1.481
local terms energy: -109.888166
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -31.702
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -183.427235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.427235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.427235 (E_RNA)
where:
Base-Base interactions energy: -85.513
where: short stacking energy: -38.516
Base-Backbone interact. energy: -1.533
local terms energy: -96.382068
where:
bonds (distance) C4'-P energy: -28.711
bonds (distance) P-C4' energy: -31.867
flat angles C4'-P-C4' energy: -24.216
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: 0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -174.957552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.957552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.957552 (E_RNA)
where:
Base-Base interactions energy: -64.174
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.482
local terms energy: -110.301767
where:
bonds (distance) C4'-P energy: -28.384
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -150.227897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.227897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.227897 (E_RNA)
where:
Base-Base interactions energy: -54.912
where: short stacking energy: -45.210
Base-Backbone interact. energy: 3.228
local terms energy: -98.544098
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: 1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -495.414205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.414205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.414205 (E_RNA)
where:
Base-Base interactions energy: -321.000
where: short stacking energy: -150.504
Base-Backbone interact. energy: 0.159
local terms energy: -174.572600
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -36.551
flat angles P-C4'-P energy: -21.068
tors. eta vs tors. theta energy: -43.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -425.434217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.434217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.434217 (E_RNA)
where:
Base-Base interactions energy: -277.696
where: short stacking energy: -126.567
Base-Backbone interact. energy: -0.381
local terms energy: -147.398707
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -34.231
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -28.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -428.397027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.397027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.397027 (E_RNA)
where:
Base-Base interactions energy: -276.259
where: short stacking energy: -109.389
Base-Backbone interact. energy: -1.207
local terms energy: -150.931377
where:
bonds (distance) C4'-P energy: -35.873
bonds (distance) P-C4' energy: -31.220
flat angles C4'-P-C4' energy: -35.514
flat angles P-C4'-P energy: -18.920
tors. eta vs tors. theta energy: -29.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -333.152989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.152989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.152989 (E_RNA)
where:
Base-Base interactions energy: -183.775
where: short stacking energy: -84.019
Base-Backbone interact. energy: -0.558
local terms energy: -148.820497
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -38.646
flat angles C4'-P-C4' energy: -29.611
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -321.309088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.309088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.309088 (E_RNA)
where:
Base-Base interactions energy: -168.701
where: short stacking energy: -93.321
Base-Backbone interact. energy: 1.419
local terms energy: -154.027254
where:
bonds (distance) C4'-P energy: -31.310
bonds (distance) P-C4' energy: -36.147
flat angles C4'-P-C4' energy: -35.248
flat angles P-C4'-P energy: -25.724
tors. eta vs tors. theta energy: -25.598
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: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -254.291982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.291982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.291982 (E_RNA)
where:
Base-Base interactions energy: -129.786
where: short stacking energy: -73.039
Base-Backbone interact. energy: 0.191
local terms energy: -124.696787
where:
bonds (distance) C4'-P energy: -31.882
bonds (distance) P-C4' energy: -31.914
flat angles C4'-P-C4' energy: -30.152
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -13.839
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: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -194.808407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.808407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.808407 (E_RNA)
where:
Base-Base interactions energy: -86.924
where: short stacking energy: -53.787
Base-Backbone interact. energy: -0.606
local terms energy: -107.278027
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -31.954
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -193.580980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.580980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.580980 (E_RNA)
where:
Base-Base interactions energy: -96.676
where: short stacking energy: -65.481
Base-Backbone interact. energy: 2.521
local terms energy: -99.669734
where:
bonds (distance) C4'-P energy: -32.251
bonds (distance) P-C4' energy: -25.457
flat angles C4'-P-C4' energy: -26.891
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: 2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.244 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -164.370005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.370005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.370005 (E_RNA)
where:
Base-Base interactions energy: -72.743
where: short stacking energy: -46.303
Base-Backbone interact. energy: 0.257
local terms energy: -92.991931
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -26.817
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: 0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.107 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -149.230034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.230034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.230034 (E_RNA)
where:
Base-Base interactions energy: -52.587
where: short stacking energy: -44.153
Base-Backbone interact. energy: 0.498
local terms energy: -97.141342
where:
bonds (distance) C4'-P energy: -27.500
bonds (distance) P-C4' energy: -32.398
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -19.988
tors. eta vs tors. theta energy: 3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -492.940208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.940208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.940208 (E_RNA)
where:
Base-Base interactions energy: -328.890
where: short stacking energy: -143.650
Base-Backbone interact. energy: 0.016
local terms energy: -164.066877
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -32.496
flat angles C4'-P-C4' energy: -33.636
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -39.808
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: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -429.307483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.307483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.307483 (E_RNA)
where:
Base-Base interactions energy: -283.280
where: short stacking energy: -122.467
Base-Backbone interact. energy: -0.645
local terms energy: -145.382910
where:
bonds (distance) C4'-P energy: -34.818
bonds (distance) P-C4' energy: -34.909
flat angles C4'-P-C4' energy: -27.699
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -28.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -393.325299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.325299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.325299 (E_RNA)
where:
Base-Base interactions energy: -250.772
where: short stacking energy: -109.636
Base-Backbone interact. energy: -0.526
local terms energy: -142.026668
where:
bonds (distance) C4'-P energy: -28.636
bonds (distance) P-C4' energy: -35.358
flat angles C4'-P-C4' energy: -34.912
flat angles P-C4'-P energy: -22.586
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -338.930946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.930946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.930946 (E_RNA)
where:
Base-Base interactions energy: -200.188
where: short stacking energy: -88.429
Base-Backbone interact. energy: -3.165
local terms energy: -135.577836
where:
bonds (distance) C4'-P energy: -29.701
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -27.645
tors. eta vs tors. theta energy: -17.452
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: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -334.070871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.070871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.070871 (E_RNA)
where:
Base-Base interactions energy: -196.666
where: short stacking energy: -100.079
Base-Backbone interact. energy: -0.263
local terms energy: -137.141690
where:
bonds (distance) C4'-P energy: -26.302
bonds (distance) P-C4' energy: -35.635
flat angles C4'-P-C4' energy: -26.868
flat angles P-C4'-P energy: -27.733
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -281.447557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.447557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.447557 (E_RNA)
where:
Base-Base interactions energy: -153.857
where: short stacking energy: -86.970
Base-Backbone interact. energy: 0.540
local terms energy: -128.130857
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -26.515
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -192.226278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.226278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.226278 (E_RNA)
where:
Base-Base interactions energy: -78.569
where: short stacking energy: -54.132
Base-Backbone interact. energy: -0.682
local terms energy: -112.975948
where:
bonds (distance) C4'-P energy: -38.271
bonds (distance) P-C4' energy: -30.676
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -200.080502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.080502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.080502 (E_RNA)
where:
Base-Base interactions energy: -100.405
where: short stacking energy: -55.893
Base-Backbone interact. energy: 2.629
local terms energy: -102.304577
where:
bonds (distance) C4'-P energy: -25.801
bonds (distance) P-C4' energy: -27.439
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -5.891
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: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -179.864780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.864780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.864780 (E_RNA)
where:
Base-Base interactions energy: -65.562
where: short stacking energy: -36.983
Base-Backbone interact. energy: -0.902
local terms energy: -113.401457
where:
bonds (distance) C4'-P energy: -29.111
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: 0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -148.644246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.644246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.644246 (E_RNA)
where:
Base-Base interactions energy: -55.522
where: short stacking energy: -40.296
Base-Backbone interact. energy: -1.880
local terms energy: -91.242261
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: 3.401
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: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -475.237659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.237659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.237659 (E_RNA)
where:
Base-Base interactions energy: -304.533
where: short stacking energy: -143.859
Base-Backbone interact. energy: 0.526
local terms energy: -171.230151
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -36.961
flat angles C4'-P-C4' energy: -38.836
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: -42.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -413.942862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.942862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.942862 (E_RNA)
where:
Base-Base interactions energy: -261.215
where: short stacking energy: -122.329
Base-Backbone interact. energy: -0.663
local terms energy: -152.064275
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -29.447
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -32.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -428.736468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.736468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.736468 (E_RNA)
where:
Base-Base interactions energy: -282.944
where: short stacking energy: -122.779
Base-Backbone interact. energy: -0.157
local terms energy: -145.635441
where:
bonds (distance) C4'-P energy: -32.438
bonds (distance) P-C4' energy: -32.443
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -30.852
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: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -408.868840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.868840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.868840 (E_RNA)
where:
Base-Base interactions energy: -269.203
where: short stacking energy: -113.478
Base-Backbone interact. energy: 1.638
local terms energy: -141.303604
where:
bonds (distance) C4'-P energy: -30.772
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -26.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -315.639838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.639838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.639838 (E_RNA)
where:
Base-Base interactions energy: -179.590
where: short stacking energy: -91.677
Base-Backbone interact. energy: -0.366
local terms energy: -135.683403
where:
bonds (distance) C4'-P energy: -35.426
bonds (distance) P-C4' energy: -33.132
flat angles C4'-P-C4' energy: -32.045
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -343.307637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.307637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.307637 (E_RNA)
where:
Base-Base interactions energy: -201.019
where: short stacking energy: -100.606
Base-Backbone interact. energy: -0.234
local terms energy: -142.767726
where:
bonds (distance) C4'-P energy: -32.345
bonds (distance) P-C4' energy: -33.307
flat angles C4'-P-C4' energy: -27.978
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -25.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.713 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -216.406571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.406571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.406571 (E_RNA)
where:
Base-Base interactions energy: -112.207
where: short stacking energy: -47.960
Base-Backbone interact. energy: 1.056
local terms energy: -105.255301
where:
bonds (distance) C4'-P energy: -30.276
bonds (distance) P-C4' energy: -33.664
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -22.251
tors. eta vs tors. theta energy: 4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -198.194699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.194699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.194699 (E_RNA)
where:
Base-Base interactions energy: -91.457
where: short stacking energy: -55.590
Base-Backbone interact. energy: -1.747
local terms energy: -106.000173
where:
bonds (distance) C4'-P energy: -33.212
bonds (distance) P-C4' energy: -33.310
flat angles C4'-P-C4' energy: -24.764
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.010 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -189.021807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.021807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.021807 (E_RNA)
where:
Base-Base interactions energy: -102.165
where: short stacking energy: -37.360
Base-Backbone interact. energy: -0.124
local terms energy: -86.733143
where:
bonds (distance) C4'-P energy: -33.741
bonds (distance) P-C4' energy: -35.817
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: 12.110
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: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -137.762598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.762598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.762598 (E_RNA)
where:
Base-Base interactions energy: -46.058
where: short stacking energy: -41.731
Base-Backbone interact. energy: -2.420
local terms energy: -89.284611
where:
bonds (distance) C4'-P energy: -26.529
bonds (distance) P-C4' energy: -30.565
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: 5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -491.809353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.809353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.809353 (E_RNA)
where:
Base-Base interactions energy: -313.119
where: short stacking energy: -158.178
Base-Backbone interact. energy: -0.671
local terms energy: -178.019663
where:
bonds (distance) C4'-P energy: -36.126
bonds (distance) P-C4' energy: -34.861
flat angles C4'-P-C4' energy: -37.988
flat angles P-C4'-P energy: -24.549
tors. eta vs tors. theta energy: -44.494
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: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -426.191073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.191073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.191073 (E_RNA)
where:
Base-Base interactions energy: -265.177
where: short stacking energy: -105.136
Base-Backbone interact. energy: -0.583
local terms energy: -160.430888
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -33.466
flat angles C4'-P-C4' energy: -35.029
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -25.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -400.929941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.929941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.929941 (E_RNA)
where:
Base-Base interactions energy: -266.982
where: short stacking energy: -99.859
Base-Backbone interact. energy: -0.074
local terms energy: -133.873936
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -30.460
flat angles C4'-P-C4' energy: -34.426
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -420.331361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.331361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.331361 (E_RNA)
where:
Base-Base interactions energy: -272.488
where: short stacking energy: -111.505
Base-Backbone interact. energy: -0.599
local terms energy: -147.244563
where:
bonds (distance) C4'-P energy: -34.881
bonds (distance) P-C4' energy: -30.977
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -19.163
tors. eta vs tors. theta energy: -28.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -359.053136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.053136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.053136 (E_RNA)
where:
Base-Base interactions energy: -210.871
where: short stacking energy: -108.058
Base-Backbone interact. energy: -0.653
local terms energy: -148.116972
where:
bonds (distance) C4'-P energy: -30.102
bonds (distance) P-C4' energy: -34.251
flat angles C4'-P-C4' energy: -31.651
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -34.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.588 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -287.741489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.741489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.741489 (E_RNA)
where:
Base-Base interactions energy: -160.158
where: short stacking energy: -89.005
Base-Backbone interact. energy: -0.683
local terms energy: -126.900374
where:
bonds (distance) C4'-P energy: -31.774
bonds (distance) P-C4' energy: -32.608
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -13.663
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: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -212.704056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.704056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.704056 (E_RNA)
where:
Base-Base interactions energy: -108.028
where: short stacking energy: -56.997
Base-Backbone interact. energy: 0.804
local terms energy: -105.587882
where:
bonds (distance) C4'-P energy: -34.091
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -26.707
flat angles P-C4'-P energy: -17.500
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: 0.108 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -275.007363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.007363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.007363 (E_RNA)
where:
Base-Base interactions energy: -157.534
where: short stacking energy: -93.856
Base-Backbone interact. energy: 0.964
local terms energy: -118.437570
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -15.879
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -158.770886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.770886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.770886 (E_RNA)
where:
Base-Base interactions energy: -54.097
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.896
local terms energy: -103.778220
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -33.161
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -21.475
tors. eta vs tors. theta energy: 1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -151.555958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.555958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.555958 (E_RNA)
where:
Base-Base interactions energy: -53.772
where: short stacking energy: -45.350
Base-Backbone interact. energy: 0.095
local terms energy: -97.879068
where:
bonds (distance) C4'-P energy: -29.270
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -5.891
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: 15
Temperature: 0.900000
Total energy: -478.875237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.875237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.875237 (E_RNA)
where:
Base-Base interactions energy: -317.667
where: short stacking energy: -140.210
Base-Backbone interact. energy: -0.801
local terms energy: -160.407559
where:
bonds (distance) C4'-P energy: -28.423
bonds (distance) P-C4' energy: -33.758
flat angles C4'-P-C4' energy: -33.815
flat angles P-C4'-P energy: -28.447
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: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -501.130059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.130059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.130059 (E_RNA)
where:
Base-Base interactions energy: -346.487
where: short stacking energy: -131.809
Base-Backbone interact. energy: 0.464
local terms energy: -155.107422
where:
bonds (distance) C4'-P energy: -30.796
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -37.868
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -31.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -374.437334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.437334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.437334 (E_RNA)
where:
Base-Base interactions energy: -232.416
where: short stacking energy: -97.548
Base-Backbone interact. energy: 2.184
local terms energy: -144.205677
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -37.881
flat angles C4'-P-C4' energy: -33.472
flat angles P-C4'-P energy: -26.012
tors. eta vs tors. theta energy: -22.493
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: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -438.181640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.181640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.181640 (E_RNA)
where:
Base-Base interactions energy: -302.563
where: short stacking energy: -122.063
Base-Backbone interact. energy: -1.039
local terms energy: -134.579298
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -25.604
flat angles P-C4'-P energy: -24.691
tors. eta vs tors. theta energy: -29.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -362.597822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.597822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.597822 (E_RNA)
where:
Base-Base interactions energy: -223.533
where: short stacking energy: -106.380
Base-Backbone interact. energy: -0.263
local terms energy: -138.802109
where:
bonds (distance) C4'-P energy: -32.331
bonds (distance) P-C4' energy: -35.380
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -26.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -286.227710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.227710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.227710 (E_RNA)
where:
Base-Base interactions energy: -149.838
where: short stacking energy: -84.332
Base-Backbone interact. energy: 0.262
local terms energy: -136.651604
where:
bonds (distance) C4'-P energy: -35.339
bonds (distance) P-C4' energy: -32.220
flat angles C4'-P-C4' energy: -35.035
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -196.724955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.724955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.724955 (E_RNA)
where:
Base-Base interactions energy: -83.964
where: short stacking energy: -47.707
Base-Backbone interact. energy: 0.536
local terms energy: -113.296995
where:
bonds (distance) C4'-P energy: -29.055
bonds (distance) P-C4' energy: -32.592
flat angles C4'-P-C4' energy: -32.836
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -240.217262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.217262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.217262 (E_RNA)
where:
Base-Base interactions energy: -133.093
where: short stacking energy: -68.281
Base-Backbone interact. energy: -0.396
local terms energy: -106.728315
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -33.584
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -163.491229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.491229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.491229 (E_RNA)
where:
Base-Base interactions energy: -60.196
where: short stacking energy: -50.842
Base-Backbone interact. energy: 0.068
local terms energy: -103.363147
where:
bonds (distance) C4'-P energy: -31.816
bonds (distance) P-C4' energy: -32.348
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -143.121858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.121858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.121858 (E_RNA)
where:
Base-Base interactions energy: -61.320
where: short stacking energy: -48.326
Base-Backbone interact. energy: 0.813
local terms energy: -82.615201
where:
bonds (distance) C4'-P energy: -33.584
bonds (distance) P-C4' energy: -26.081
flat angles C4'-P-C4' energy: -25.157
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: 11.427
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: 16
Temperature: 0.900000
Total energy: -501.267806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.267806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.267806 (E_RNA)
where:
Base-Base interactions energy: -343.495
where: short stacking energy: -136.554
Base-Backbone interact. energy: -0.361
local terms energy: -157.411491
where:
bonds (distance) C4'-P energy: -32.555
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -36.158
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -36.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -462.804926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.804926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.804926 (E_RNA)
where:
Base-Base interactions energy: -283.230
where: short stacking energy: -128.816
Base-Backbone interact. energy: -0.149
local terms energy: -179.426059
where:
bonds (distance) C4'-P energy: -37.575
bonds (distance) P-C4' energy: -35.249
flat angles C4'-P-C4' energy: -38.853
flat angles P-C4'-P energy: -24.555
tors. eta vs tors. theta energy: -43.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -448.387541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.387541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.387541 (E_RNA)
where:
Base-Base interactions energy: -290.377
where: short stacking energy: -140.437
Base-Backbone interact. energy: -0.146
local terms energy: -157.864916
where:
bonds (distance) C4'-P energy: -31.103
bonds (distance) P-C4' energy: -33.141
flat angles C4'-P-C4' energy: -34.519
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -35.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -359.964987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.964987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.964987 (E_RNA)
where:
Base-Base interactions energy: -211.913
where: short stacking energy: -122.263
Base-Backbone interact. energy: -0.892
local terms energy: -147.160125
where:
bonds (distance) C4'-P energy: -26.162
bonds (distance) P-C4' energy: -31.535
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -27.421
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: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -357.652562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.652562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.652562 (E_RNA)
where:
Base-Base interactions energy: -224.336
where: short stacking energy: -103.360
Base-Backbone interact. energy: -0.533
local terms energy: -132.784010
where:
bonds (distance) C4'-P energy: -32.583
bonds (distance) P-C4' energy: -29.101
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -23.543
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: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -303.141427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.141427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.141427 (E_RNA)
where:
Base-Base interactions energy: -164.611
where: short stacking energy: -89.452
Base-Backbone interact. energy: -0.150
local terms energy: -138.380602
where:
bonds (distance) C4'-P energy: -34.204
bonds (distance) P-C4' energy: -36.601
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -246.365860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.365860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.365860 (E_RNA)
where:
Base-Base interactions energy: -132.871
where: short stacking energy: -70.736
Base-Backbone interact. energy: 1.834
local terms energy: -115.547609
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -37.640
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.219 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -237.895848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.895848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.895848 (E_RNA)
where:
Base-Base interactions energy: -130.332
where: short stacking energy: -68.662
Base-Backbone interact. energy: -0.563
local terms energy: -107.486922
where:
bonds (distance) C4'-P energy: -26.639
bonds (distance) P-C4' energy: -28.216
flat angles C4'-P-C4' energy: -28.576
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.487 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -157.570764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.570764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.570764 (E_RNA)
where:
Base-Base interactions energy: -55.841
where: short stacking energy: -32.835
Base-Backbone interact. energy: 0.826
local terms energy: -102.556324
where:
bonds (distance) C4'-P energy: -30.255
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -28.755
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -163.747905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.747905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.747905 (E_RNA)
where:
Base-Base interactions energy: -53.301
where: short stacking energy: -52.958
Base-Backbone interact. energy: -1.381
local terms energy: -109.065506
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -23.904
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -487.520050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.520050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.520050 (E_RNA)
where:
Base-Base interactions energy: -335.758
where: short stacking energy: -127.780
Base-Backbone interact. energy: -0.383
local terms energy: -151.379170
where:
bonds (distance) C4'-P energy: -37.450
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -23.517
tors. eta vs tors. theta energy: -30.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -481.757706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.757706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.757706 (E_RNA)
where:
Base-Base interactions energy: -310.906
where: short stacking energy: -149.532
Base-Backbone interact. energy: 0.306
local terms energy: -171.157289
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -35.893
flat angles C4'-P-C4' energy: -38.110
flat angles P-C4'-P energy: -22.800
tors. eta vs tors. theta energy: -45.452
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: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -454.352996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.352996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.352996 (E_RNA)
where:
Base-Base interactions energy: -300.246
where: short stacking energy: -124.778
Base-Backbone interact. energy: 2.106
local terms energy: -156.213511
where:
bonds (distance) C4'-P energy: -35.398
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -32.049
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -36.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -383.884012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.884012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.884012 (E_RNA)
where:
Base-Base interactions energy: -235.416
where: short stacking energy: -96.763
Base-Backbone interact. energy: 0.055
local terms energy: -148.834426
where:
bonds (distance) C4'-P energy: -36.121
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -27.944
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -23.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.311 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -312.590172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.590172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.590172 (E_RNA)
where:
Base-Base interactions energy: -183.442
where: short stacking energy: -97.701
Base-Backbone interact. energy: -1.696
local terms energy: -127.452384
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -33.531
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -17.869
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: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -318.998311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.998311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.998311 (E_RNA)
where:
Base-Base interactions energy: -181.336
where: short stacking energy: -87.179
Base-Backbone interact. energy: -0.260
local terms energy: -137.402577
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -33.225
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -22.439
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -255.196306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.196306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.196306 (E_RNA)
where:
Base-Base interactions energy: -147.051
where: short stacking energy: -68.430
Base-Backbone interact. energy: -1.310
local terms energy: -106.835075
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -28.531
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -9.454
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: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -219.830477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.830477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.830477 (E_RNA)
where:
Base-Base interactions energy: -112.772
where: short stacking energy: -63.192
Base-Backbone interact. energy: 2.220
local terms energy: -109.278637
where:
bonds (distance) C4'-P energy: -24.653
bonds (distance) P-C4' energy: -28.660
flat angles C4'-P-C4' energy: -35.104
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -157.202092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.202092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.202092 (E_RNA)
where:
Base-Base interactions energy: -56.559
where: short stacking energy: -39.096
Base-Backbone interact. energy: 0.146
local terms energy: -101.125772
where:
bonds (distance) C4'-P energy: -25.196
bonds (distance) P-C4' energy: -33.681
flat angles C4'-P-C4' energy: -26.687
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.337 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -167.822795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.822795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.822795 (E_RNA)
where:
Base-Base interactions energy: -73.120
where: short stacking energy: -43.408
Base-Backbone interact. energy: 1.186
local terms energy: -95.889008
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -32.450
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -8.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -506.026837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.026837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.026837 (E_RNA)
where:
Base-Base interactions energy: -341.898
where: short stacking energy: -133.543
Base-Backbone interact. energy: -0.963
local terms energy: -163.166028
where:
bonds (distance) C4'-P energy: -31.800
bonds (distance) P-C4' energy: -32.772
flat angles C4'-P-C4' energy: -38.653
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -37.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -466.278412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.278412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.278412 (E_RNA)
where:
Base-Base interactions energy: -304.924
where: short stacking energy: -147.427
Base-Backbone interact. energy: -0.376
local terms energy: -160.978142
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -36.202
flat angles C4'-P-C4' energy: -38.649
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -39.900
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: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -456.594163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.594163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.594163 (E_RNA)
where:
Base-Base interactions energy: -296.619
where: short stacking energy: -141.576
Base-Backbone interact. energy: -0.105
local terms energy: -159.870661
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -33.548
flat angles C4'-P-C4' energy: -36.068
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -36.572
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: 4, replica: 9
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -435.734743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.734743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.734743 (E_RNA)
where:
Base-Base interactions energy: -297.192
where: short stacking energy: -131.331
Base-Backbone interact. energy: -0.979
local terms energy: -138.560325
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -33.158
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -32.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.996 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -299.571666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.571666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.571666 (E_RNA)
where:
Base-Base interactions energy: -174.985
where: short stacking energy: -88.319
Base-Backbone interact. energy: -0.474
local terms energy: -124.112991
where:
bonds (distance) C4'-P energy: -26.807
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -34.987
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -271.579414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.579414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.579414 (E_RNA)
where:
Base-Base interactions energy: -145.904
where: short stacking energy: -71.635
Base-Backbone interact. energy: -1.447
local terms energy: -124.228299
where:
bonds (distance) C4'-P energy: -34.056
bonds (distance) P-C4' energy: -31.817
flat angles C4'-P-C4' energy: -24.765
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -280.367375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.367375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.367375 (E_RNA)
where:
Base-Base interactions energy: -154.033
where: short stacking energy: -78.978
Base-Backbone interact. energy: -0.606
local terms energy: -125.727646
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -36.758
flat angles C4'-P-C4' energy: -38.371
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -232.686455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.686455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.686455 (E_RNA)
where:
Base-Base interactions energy: -116.214
where: short stacking energy: -51.272
Base-Backbone interact. energy: 0.041
local terms energy: -116.513721
where:
bonds (distance) C4'-P energy: -30.768
bonds (distance) P-C4' energy: -30.314
flat angles C4'-P-C4' energy: -29.471
flat angles P-C4'-P energy: -22.071
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -171.114210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.114210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.114210 (E_RNA)
where:
Base-Base interactions energy: -63.767
where: short stacking energy: -53.289
Base-Backbone interact. energy: -0.635
local terms energy: -106.712361
where:
bonds (distance) C4'-P energy: -23.530
bonds (distance) P-C4' energy: -34.182
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -19.337
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: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -153.831273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.831273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.831273 (E_RNA)
where:
Base-Base interactions energy: -77.502
where: short stacking energy: -43.966
Base-Backbone interact. energy: -0.224
local terms energy: -76.104840
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -34.238
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: 7.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -519.402144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.402144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.402144 (E_RNA)
where:
Base-Base interactions energy: -361.790
where: short stacking energy: -126.871
Base-Backbone interact. energy: -0.859
local terms energy: -156.752826
where:
bonds (distance) C4'-P energy: -27.249
bonds (distance) P-C4' energy: -38.478
flat angles C4'-P-C4' energy: -33.316
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: -38.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -471.394874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.394874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.394874 (E_RNA)
where:
Base-Base interactions energy: -305.868
where: short stacking energy: -129.543
Base-Backbone interact. energy: -0.412
local terms energy: -165.115173
where:
bonds (distance) C4'-P energy: -36.773
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -35.000
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -39.236
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: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -464.054562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.054562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.054562 (E_RNA)
where:
Base-Base interactions energy: -306.525
where: short stacking energy: -131.213
Base-Backbone interact. energy: -0.268
local terms energy: -157.261253
where:
bonds (distance) C4'-P energy: -32.570
bonds (distance) P-C4' energy: -36.015
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -19.106
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: 4, replica: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -438.878606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.878606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.878606 (E_RNA)
where:
Base-Base interactions energy: -289.566
where: short stacking energy: -139.825
Base-Backbone interact. energy: -0.313
local terms energy: -148.999747
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -31.971
flat angles C4'-P-C4' energy: -36.648
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -37.452
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: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -310.536535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.536535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.536535 (E_RNA)
where:
Base-Base interactions energy: -192.200
where: short stacking energy: -102.860
Base-Backbone interact. energy: -0.894
local terms energy: -117.442737
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -35.629
flat angles C4'-P-C4' energy: -29.780
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -286.446001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.446001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.446001 (E_RNA)
where:
Base-Base interactions energy: -158.481
where: short stacking energy: -84.669
Base-Backbone interact. energy: -0.482
local terms energy: -127.482976
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -38.306
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -16.743
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -256.354592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.354592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.354592 (E_RNA)
where:
Base-Base interactions energy: -150.777
where: short stacking energy: -82.078
Base-Backbone interact. energy: 3.497
local terms energy: -109.074809
where:
bonds (distance) C4'-P energy: -28.676
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -169.818253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.818253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.818253 (E_RNA)
where:
Base-Base interactions energy: -69.713
where: short stacking energy: -51.880
Base-Backbone interact. energy: -0.973
local terms energy: -101.708326
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: 0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.576 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -188.027426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.027426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.027426 (E_RNA)
where:
Base-Base interactions energy: -86.428
where: short stacking energy: -44.915
Base-Backbone interact. energy: -1.523
local terms energy: -100.076690
where:
bonds (distance) C4'-P energy: -30.376
bonds (distance) P-C4' energy: -29.507
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: 5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -149.809556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.809556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.809556 (E_RNA)
where:
Base-Base interactions energy: -51.945
where: short stacking energy: -39.121
Base-Backbone interact. energy: -0.937
local terms energy: -96.927552
where:
bonds (distance) C4'-P energy: -32.228
bonds (distance) P-C4' energy: -32.644
flat angles C4'-P-C4' energy: -24.831
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: 4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -511.409066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.409066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.409066 (E_RNA)
where:
Base-Base interactions energy: -349.507
where: short stacking energy: -130.569
Base-Backbone interact. energy: 0.322
local terms energy: -162.224013
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -31.518
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -27.288
tors. eta vs tors. theta energy: -36.626
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: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -491.352688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.352688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.352688 (E_RNA)
where:
Base-Base interactions energy: -327.464
where: short stacking energy: -142.065
Base-Backbone interact. energy: -0.305
local terms energy: -163.582997
where:
bonds (distance) C4'-P energy: -32.721
bonds (distance) P-C4' energy: -28.736
flat angles C4'-P-C4' energy: -32.441
flat angles P-C4'-P energy: -26.321
tors. eta vs tors. theta energy: -43.364
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: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -493.752853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.752853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.752853 (E_RNA)
where:
Base-Base interactions energy: -332.039
where: short stacking energy: -143.738
Base-Backbone interact. energy: -0.589
local terms energy: -161.124551
where:
bonds (distance) C4'-P energy: -28.327
bonds (distance) P-C4' energy: -34.044
flat angles C4'-P-C4' energy: -30.613
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -41.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -418.926225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.926225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.926225 (E_RNA)
where:
Base-Base interactions energy: -271.804
where: short stacking energy: -120.873
Base-Backbone interact. energy: 0.929
local terms energy: -148.711284
where:
bonds (distance) C4'-P energy: -33.841
bonds (distance) P-C4' energy: -37.684
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -25.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.659 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -301.176277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.176277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.176277 (E_RNA)
where:
Base-Base interactions energy: -168.668
where: short stacking energy: -84.711
Base-Backbone interact. energy: -0.291
local terms energy: -132.216626
where:
bonds (distance) C4'-P energy: -36.788
bonds (distance) P-C4' energy: -34.251
flat angles C4'-P-C4' energy: -29.187
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -304.852329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.852329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.852329 (E_RNA)
where:
Base-Base interactions energy: -163.012
where: short stacking energy: -86.111
Base-Backbone interact. energy: -1.107
local terms energy: -140.732592
where:
bonds (distance) C4'-P energy: -29.963
bonds (distance) P-C4' energy: -32.982
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: -26.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -270.296092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.296092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.296092 (E_RNA)
where:
Base-Base interactions energy: -161.911
where: short stacking energy: -80.732
Base-Backbone interact. energy: -0.095
local terms energy: -108.289657
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -27.547
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -160.938455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.938455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.938455 (E_RNA)
where:
Base-Base interactions energy: -47.511
where: short stacking energy: -41.546
Base-Backbone interact. energy: -1.577
local terms energy: -111.851120
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -31.272
flat angles C4'-P-C4' energy: -22.203
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -163.754200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.754200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.754200 (E_RNA)
where:
Base-Base interactions energy: -66.078
where: short stacking energy: -54.355
Base-Backbone interact. energy: 3.774
local terms energy: -101.977703
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -38.227
flat angles C4'-P-C4' energy: -25.124
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.528 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -151.852216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.852216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.852216 (E_RNA)
where:
Base-Base interactions energy: -56.920
where: short stacking energy: -52.342
Base-Backbone interact. energy: -0.409
local terms energy: -94.523531
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: 6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -515.352567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.352567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.352567 (E_RNA)
where:
Base-Base interactions energy: -368.547
where: short stacking energy: -147.497
Base-Backbone interact. energy: -1.306
local terms energy: -145.499207
where:
bonds (distance) C4'-P energy: -26.054
bonds (distance) P-C4' energy: -35.040
flat angles C4'-P-C4' energy: -33.460
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -37.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -495.002688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.002688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.002688 (E_RNA)
where:
Base-Base interactions energy: -329.698
where: short stacking energy: -137.478
Base-Backbone interact. energy: -0.422
local terms energy: -164.883082
where:
bonds (distance) C4'-P energy: -32.488
bonds (distance) P-C4' energy: -31.000
flat angles C4'-P-C4' energy: -36.775
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -41.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -474.950288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.950288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.950288 (E_RNA)
where:
Base-Base interactions energy: -325.025
where: short stacking energy: -133.029
Base-Backbone interact. energy: -0.755
local terms energy: -149.169399
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -30.231
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -21.676
tors. eta vs tors. theta energy: -39.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -395.253720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.253720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.253720 (E_RNA)
where:
Base-Base interactions energy: -249.410
where: short stacking energy: -117.981
Base-Backbone interact. energy: 1.045
local terms energy: -147.226687
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -34.493
flat angles C4'-P-C4' energy: -31.924
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.338 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -331.723155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.723155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.723155 (E_RNA)
where:
Base-Base interactions energy: -191.672
where: short stacking energy: -104.917
Base-Backbone interact. energy: -0.808
local terms energy: -139.243839
where:
bonds (distance) C4'-P energy: -28.076
bonds (distance) P-C4' energy: -30.191
flat angles C4'-P-C4' energy: -31.265
flat angles P-C4'-P energy: -19.311
tors. eta vs tors. theta energy: -30.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -314.185063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.185063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.185063 (E_RNA)
where:
Base-Base interactions energy: -180.897
where: short stacking energy: -95.722
Base-Backbone interact. energy: -1.051
local terms energy: -132.236859
where:
bonds (distance) C4'-P energy: -33.110
bonds (distance) P-C4' energy: -32.209
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -248.188935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.188935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.188935 (E_RNA)
where:
Base-Base interactions energy: -127.437
where: short stacking energy: -71.456
Base-Backbone interact. energy: -0.520
local terms energy: -120.231650
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -30.524
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -164.626827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.626827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.626827 (E_RNA)
where:
Base-Base interactions energy: -67.587
where: short stacking energy: -55.724
Base-Backbone interact. energy: 1.529
local terms energy: -100.455101
where:
bonds (distance) C4'-P energy: -25.365
bonds (distance) P-C4' energy: -31.721
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.886 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -183.522136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.522136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.522136 (E_RNA)
where:
Base-Base interactions energy: -63.988
where: short stacking energy: -52.167
Base-Backbone interact. energy: 0.067
local terms energy: -119.601366
where:
bonds (distance) C4'-P energy: -28.019
bonds (distance) P-C4' energy: -33.902
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -156.580945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.580945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.580945 (E_RNA)
where:
Base-Base interactions energy: -67.563
where: short stacking energy: -43.377
Base-Backbone interact. energy: 0.009
local terms energy: -89.026737
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -18.384
tors. eta vs tors. theta energy: 7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -520.185096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.185096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.185096 (E_RNA)
where:
Base-Base interactions energy: -349.235
where: short stacking energy: -137.948
Base-Backbone interact. energy: -0.315
local terms energy: -170.634955
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -36.164
flat angles C4'-P-C4' energy: -37.240
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: -39.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -512.054143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.054143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.054143 (E_RNA)
where:
Base-Base interactions energy: -347.679
where: short stacking energy: -146.072
Base-Backbone interact. energy: 1.665
local terms energy: -166.040879
where:
bonds (distance) C4'-P energy: -31.318
bonds (distance) P-C4' energy: -34.465
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -42.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -463.927122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.927122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.927122 (E_RNA)
where:
Base-Base interactions energy: -306.152
where: short stacking energy: -141.701
Base-Backbone interact. energy: 0.142
local terms energy: -157.916802
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -32.112
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -45.731
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: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -407.293000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.293000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.293000 (E_RNA)
where:
Base-Base interactions energy: -256.354
where: short stacking energy: -117.620
Base-Backbone interact. energy: 0.199
local terms energy: -151.137432
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -35.294
flat angles C4'-P-C4' energy: -30.080
flat angles P-C4'-P energy: -25.269
tors. eta vs tors. theta energy: -24.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -298.599253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.599253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.599253 (E_RNA)
where:
Base-Base interactions energy: -179.378
where: short stacking energy: -80.004
Base-Backbone interact. energy: -1.473
local terms energy: -117.748495
where:
bonds (distance) C4'-P energy: -28.503
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -13.442
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: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -317.846799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.846799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.846799 (E_RNA)
where:
Base-Base interactions energy: -184.985
where: short stacking energy: -85.928
Base-Backbone interact. energy: 0.239
local terms energy: -133.101339
where:
bonds (distance) C4'-P energy: -29.061
bonds (distance) P-C4' energy: -37.109
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -246.809518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.809518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.809518 (E_RNA)
where:
Base-Base interactions energy: -125.405
where: short stacking energy: -86.532
Base-Backbone interact. energy: -0.340
local terms energy: -121.065015
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -19.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -163.676712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.676712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.676712 (E_RNA)
where:
Base-Base interactions energy: -60.376
where: short stacking energy: -38.832
Base-Backbone interact. energy: 1.882
local terms energy: -105.182426
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -25.493
flat angles C4'-P-C4' energy: -32.284
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -0.392
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: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -166.284169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.284169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.284169 (E_RNA)
where:
Base-Base interactions energy: -55.547
where: short stacking energy: -51.543
Base-Backbone interact. energy: 2.881
local terms energy: -113.618468
where:
bonds (distance) C4'-P energy: -25.721
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -31.898
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -167.433150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.433150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.433150 (E_RNA)
where:
Base-Base interactions energy: -58.853
where: short stacking energy: -45.108
Base-Backbone interact. energy: -1.811
local terms energy: -108.500840
where:
bonds (distance) C4'-P energy: -27.528
bonds (distance) P-C4' energy: -31.388
flat angles C4'-P-C4' energy: -29.932
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: 1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.731 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -522.518943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.518943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.518943 (E_RNA)
where:
Base-Base interactions energy: -348.369
where: short stacking energy: -128.268
Base-Backbone interact. energy: -0.697
local terms energy: -173.453835
where:
bonds (distance) C4'-P energy: -31.239
bonds (distance) P-C4' energy: -38.374
flat angles C4'-P-C4' energy: -38.964
flat angles P-C4'-P energy: -23.049
tors. eta vs tors. theta energy: -41.828
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: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -489.702601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.702601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.702601 (E_RNA)
where:
Base-Base interactions energy: -320.845
where: short stacking energy: -150.702
Base-Backbone interact. energy: -0.092
local terms energy: -168.765232
where:
bonds (distance) C4'-P energy: -35.273
bonds (distance) P-C4' energy: -31.466
flat angles C4'-P-C4' energy: -33.946
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -47.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -493.810368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.810368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.810368 (E_RNA)
where:
Base-Base interactions energy: -326.589
where: short stacking energy: -142.776
Base-Backbone interact. energy: -0.264
local terms energy: -166.957951
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -32.791
flat angles C4'-P-C4' energy: -35.102
flat angles P-C4'-P energy: -23.528
tors. eta vs tors. theta energy: -43.782
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: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -396.265454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.265454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.265454 (E_RNA)
where:
Base-Base interactions energy: -256.270
where: short stacking energy: -115.054
Base-Backbone interact. energy: -1.221
local terms energy: -139.382928
where:
bonds (distance) C4'-P energy: -26.892
bonds (distance) P-C4' energy: -37.923
flat angles C4'-P-C4' energy: -31.126
flat angles P-C4'-P energy: -18.267
tors. eta vs tors. theta energy: -25.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.609 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -320.948019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.948019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.948019 (E_RNA)
where:
Base-Base interactions energy: -184.043
where: short stacking energy: -105.913
Base-Backbone interact. energy: 0.399
local terms energy: -137.303920
where:
bonds (distance) C4'-P energy: -29.893
bonds (distance) P-C4' energy: -35.299
flat angles C4'-P-C4' energy: -27.374
flat angles P-C4'-P energy: -21.999
tors. eta vs tors. theta energy: -22.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -317.977986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.977986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.977986 (E_RNA)
where:
Base-Base interactions energy: -177.708
where: short stacking energy: -78.715
Base-Backbone interact. energy: -1.278
local terms energy: -138.991840
where:
bonds (distance) C4'-P energy: -29.825
bonds (distance) P-C4' energy: -35.390
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -23.367
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: 23
Temperature: 1.200000
Total energy: -247.747946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.747946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.747946 (E_RNA)
where:
Base-Base interactions energy: -125.871
where: short stacking energy: -78.478
Base-Backbone interact. energy: -0.347
local terms energy: -121.530550
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -35.287
flat angles C4'-P-C4' energy: -26.291
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -10.897
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: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -183.441476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.441476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.441476 (E_RNA)
where:
Base-Base interactions energy: -76.480
where: short stacking energy: -47.233
Base-Backbone interact. energy: -0.021
local terms energy: -106.939852
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -32.195
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -171.721082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.721082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.721082 (E_RNA)
where:
Base-Base interactions energy: -61.216
where: short stacking energy: -39.743
Base-Backbone interact. energy: 1.335
local terms energy: -111.840543
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -35.989
flat angles C4'-P-C4' energy: -34.511
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -158.678950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.678950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.678950 (E_RNA)
where:
Base-Base interactions energy: -55.050
where: short stacking energy: -51.683
Base-Backbone interact. energy: -0.681
local terms energy: -102.948421
where:
bonds (distance) C4'-P energy: -34.193
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -26.063
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: 5.247
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: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -519.934235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.934235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.934235 (E_RNA)
where:
Base-Base interactions energy: -362.625
where: short stacking energy: -138.084
Base-Backbone interact. energy: -0.884
local terms energy: -156.425696
where:
bonds (distance) C4'-P energy: -37.328
bonds (distance) P-C4' energy: -28.861
flat angles C4'-P-C4' energy: -35.641
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -37.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -500.428460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.428460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.428460 (E_RNA)
where:
Base-Base interactions energy: -327.435
where: short stacking energy: -134.764
Base-Backbone interact. energy: -1.051
local terms energy: -171.943006
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -35.398
flat angles C4'-P-C4' energy: -36.113
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -42.693
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: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -486.743309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.743309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.743309 (E_RNA)
where:
Base-Base interactions energy: -335.837
where: short stacking energy: -132.757
Base-Backbone interact. energy: -0.253
local terms energy: -150.653626
where:
bonds (distance) C4'-P energy: -33.377
bonds (distance) P-C4' energy: -34.830
flat angles C4'-P-C4' energy: -29.962
flat angles P-C4'-P energy: -17.960
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: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -404.170748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.170748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.170748 (E_RNA)
where:
Base-Base interactions energy: -257.790
where: short stacking energy: -118.765
Base-Backbone interact. energy: -0.213
local terms energy: -146.167603
where:
bonds (distance) C4'-P energy: -30.022
bonds (distance) P-C4' energy: -33.607
flat angles C4'-P-C4' energy: -27.913
flat angles P-C4'-P energy: -23.401
tors. eta vs tors. theta energy: -31.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -337.039487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.039487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.039487 (E_RNA)
where:
Base-Base interactions energy: -203.572
where: short stacking energy: -99.845
Base-Backbone interact. energy: -1.054
local terms energy: -132.413822
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -26.662
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -18.846
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -292.478424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.478424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.478424 (E_RNA)
where:
Base-Base interactions energy: -167.429
where: short stacking energy: -84.968
Base-Backbone interact. energy: 0.457
local terms energy: -125.506654
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -30.000
flat angles C4'-P-C4' energy: -32.815
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -233.323408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.323408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.323408 (E_RNA)
where:
Base-Base interactions energy: -119.480
where: short stacking energy: -64.437
Base-Backbone interact. energy: -0.667
local terms energy: -113.176451
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -34.711
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -10.801
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: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -177.624490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.624490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.624490 (E_RNA)
where:
Base-Base interactions energy: -75.747
where: short stacking energy: -49.939
Base-Backbone interact. energy: 2.381
local terms energy: -104.258425
where:
bonds (distance) C4'-P energy: -36.775
bonds (distance) P-C4' energy: -28.730
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: 4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -160.013066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.013066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.013066 (E_RNA)
where:
Base-Base interactions energy: -46.703
where: short stacking energy: -40.903
Base-Backbone interact. energy: 1.542
local terms energy: -114.852004
where:
bonds (distance) C4'-P energy: -37.629
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -38.104
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -175.093598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.093598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.093598 (E_RNA)
where:
Base-Base interactions energy: -68.655
where: short stacking energy: -50.802
Base-Backbone interact. energy: 0.064
local terms energy: -106.501792
where:
bonds (distance) C4'-P energy: -34.474
bonds (distance) P-C4' energy: -35.599
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -532.705381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.705381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.705381 (E_RNA)
where:
Base-Base interactions energy: -359.846
where: short stacking energy: -143.713
Base-Backbone interact. energy: -1.236
local terms energy: -171.623051
where:
bonds (distance) C4'-P energy: -37.110
bonds (distance) P-C4' energy: -39.937
flat angles C4'-P-C4' energy: -37.072
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -40.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -502.072107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.072107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.072107 (E_RNA)
where:
Base-Base interactions energy: -336.958
where: short stacking energy: -147.056
Base-Backbone interact. energy: -0.293
local terms energy: -164.971461
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -32.019
flat angles C4'-P-C4' energy: -35.685
flat angles P-C4'-P energy: -19.590
tors. eta vs tors. theta energy: -40.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.150 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -457.510674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.510674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.510674 (E_RNA)
where:
Base-Base interactions energy: -297.326
where: short stacking energy: -153.085
Base-Backbone interact. energy: 1.253
local terms energy: -161.437908
where:
bonds (distance) C4'-P energy: -35.118
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -47.890
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: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -409.538398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.538398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.538398 (E_RNA)
where:
Base-Base interactions energy: -258.666
where: short stacking energy: -116.830
Base-Backbone interact. energy: -0.542
local terms energy: -150.330753
where:
bonds (distance) C4'-P energy: -31.726
bonds (distance) P-C4' energy: -37.724
flat angles C4'-P-C4' energy: -34.699
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -28.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -357.319545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.319545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.319545 (E_RNA)
where:
Base-Base interactions energy: -217.623
where: short stacking energy: -108.038
Base-Backbone interact. energy: -0.616
local terms energy: -139.080010
where:
bonds (distance) C4'-P energy: -27.089
bonds (distance) P-C4' energy: -39.347
flat angles C4'-P-C4' energy: -33.191
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -300.352193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.352193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.352193 (E_RNA)
where:
Base-Base interactions energy: -169.691
where: short stacking energy: -77.893
Base-Backbone interact. energy: -0.760
local terms energy: -129.900871
where:
bonds (distance) C4'-P energy: -32.649
bonds (distance) P-C4' energy: -34.874
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -255.238325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.238325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.238325 (E_RNA)
where:
Base-Base interactions energy: -132.426
where: short stacking energy: -67.960
Base-Backbone interact. energy: -0.850
local terms energy: -121.961811
where:
bonds (distance) C4'-P energy: -36.377
bonds (distance) P-C4' energy: -36.556
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -16.155
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -190.696042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.696042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.696042 (E_RNA)
where:
Base-Base interactions energy: -84.713
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.722
local terms energy: -105.261632
where:
bonds (distance) C4'-P energy: -32.461
bonds (distance) P-C4' energy: -31.287
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -7.739
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: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -166.930921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.930921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.930921 (E_RNA)
where:
Base-Base interactions energy: -59.452
where: short stacking energy: -34.903
Base-Backbone interact. energy: -0.366
local terms energy: -107.112955
where:
bonds (distance) C4'-P energy: -35.408
bonds (distance) P-C4' energy: -32.705
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -158.600729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.600729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.600729 (E_RNA)
where:
Base-Base interactions energy: -65.151
where: short stacking energy: -47.886
Base-Backbone interact. energy: 0.922
local terms energy: -94.667035
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -33.019
flat angles C4'-P-C4' energy: -30.398
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: 1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.295 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -523.521314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.521314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.521314 (E_RNA)
where:
Base-Base interactions energy: -343.600
where: short stacking energy: -150.707
Base-Backbone interact. energy: -0.706
local terms energy: -179.215202
where:
bonds (distance) C4'-P energy: -38.486
bonds (distance) P-C4' energy: -35.571
flat angles C4'-P-C4' energy: -33.395
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -44.512
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: 26
Temperature: 0.950000
Total energy: -502.424382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.424382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.424382 (E_RNA)
where:
Base-Base interactions energy: -343.964
where: short stacking energy: -127.612
Base-Backbone interact. energy: -0.248
local terms energy: -158.211614
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -38.984
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -30.961
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: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -443.478210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.478210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.478210 (E_RNA)
where:
Base-Base interactions energy: -275.411
where: short stacking energy: -132.102
Base-Backbone interact. energy: -0.007
local terms energy: -168.060233
where:
bonds (distance) C4'-P energy: -26.774
bonds (distance) P-C4' energy: -39.273
flat angles C4'-P-C4' energy: -37.664
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -42.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -412.038283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.038283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.038283 (E_RNA)
where:
Base-Base interactions energy: -263.107
where: short stacking energy: -127.652
Base-Backbone interact. energy: -0.099
local terms energy: -153.002997
where:
bonds (distance) C4'-P energy: -31.713
bonds (distance) P-C4' energy: -34.637
flat angles C4'-P-C4' energy: -34.908
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -28.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.171 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -301.454681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.454681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.454681 (E_RNA)
where:
Base-Base interactions energy: -179.446
where: short stacking energy: -94.875
Base-Backbone interact. energy: -0.745
local terms energy: -121.263024
where:
bonds (distance) C4'-P energy: -22.964
bonds (distance) P-C4' energy: -37.104
flat angles C4'-P-C4' energy: -28.893
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -26.422
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: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -293.294427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.294427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.294427 (E_RNA)
where:
Base-Base interactions energy: -185.039
where: short stacking energy: -84.832
Base-Backbone interact. energy: -0.725
local terms energy: -107.531371
where:
bonds (distance) C4'-P energy: -30.331
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -11.452
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: 3
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -222.990264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.990264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.990264 (E_RNA)
where:
Base-Base interactions energy: -123.447
where: short stacking energy: -50.854
Base-Backbone interact. energy: 0.006
local terms energy: -99.549163
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -4.321
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: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -162.292954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.292954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.292954 (E_RNA)
where:
Base-Base interactions energy: -57.718
where: short stacking energy: -51.841
Base-Backbone interact. energy: 0.056
local terms energy: -104.631242
where:
bonds (distance) C4'-P energy: -24.578
bonds (distance) P-C4' energy: -34.721
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -3.389
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: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -180.635288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.635288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.635288 (E_RNA)
where:
Base-Base interactions energy: -85.959
where: short stacking energy: -44.446
Base-Backbone interact. energy: 0.214
local terms energy: -94.889584
where:
bonds (distance) C4'-P energy: -28.227
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -23.319
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -140.333223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.333223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.333223 (E_RNA)
where:
Base-Base interactions energy: -40.703
where: short stacking energy: -38.350
Base-Backbone interact. energy: -0.278
local terms energy: -99.352540
where:
bonds (distance) C4'-P energy: -26.087
bonds (distance) P-C4' energy: -36.742
flat angles C4'-P-C4' energy: -22.294
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -518.650721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.650721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.650721 (E_RNA)
where:
Base-Base interactions energy: -349.003
where: short stacking energy: -151.859
Base-Backbone interact. energy: -0.286
local terms energy: -169.361392
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -36.662
flat angles C4'-P-C4' energy: -37.563
flat angles P-C4'-P energy: -28.300
tors. eta vs tors. theta energy: -38.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -500.472566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.472566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.472566 (E_RNA)
where:
Base-Base interactions energy: -343.590
where: short stacking energy: -146.217
Base-Backbone interact. energy: -0.806
local terms energy: -156.076477
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -28.114
flat angles C4'-P-C4' energy: -30.390
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -40.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -461.276004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.276004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.276004 (E_RNA)
where:
Base-Base interactions energy: -305.995
where: short stacking energy: -143.182
Base-Backbone interact. energy: -0.154
local terms energy: -155.127541
where:
bonds (distance) C4'-P energy: -32.573
bonds (distance) P-C4' energy: -26.177
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -42.068
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: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -447.224544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.224544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.224544 (E_RNA)
where:
Base-Base interactions energy: -294.414
where: short stacking energy: -126.101
Base-Backbone interact. energy: -0.801
local terms energy: -152.395114
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -33.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.386 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -318.086651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.086651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.086651 (E_RNA)
where:
Base-Base interactions energy: -202.397
where: short stacking energy: -109.776
Base-Backbone interact. energy: -0.283
local terms energy: -115.406485
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -34.027
flat angles C4'-P-C4' energy: -24.720
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -14.759
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: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -293.082394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.082394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.082394 (E_RNA)
where:
Base-Base interactions energy: -167.711
where: short stacking energy: -85.475
Base-Backbone interact. energy: 0.647
local terms energy: -126.018919
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -30.093
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -20.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -240.751425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.751425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.751425 (E_RNA)
where:
Base-Base interactions energy: -122.956
where: short stacking energy: -57.113
Base-Backbone interact. energy: -1.080
local terms energy: -116.715187
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -34.066
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -16.309
tors. eta vs tors. theta energy: -9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -211.401745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.401745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.401745 (E_RNA)
where:
Base-Base interactions energy: -109.303
where: short stacking energy: -74.306
Base-Backbone interact. energy: -0.856
local terms energy: -101.242463
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -25.236
flat angles C4'-P-C4' energy: -27.808
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -5.915
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: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -166.118900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.118900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.118900 (E_RNA)
where:
Base-Base interactions energy: -63.021
where: short stacking energy: -50.015
Base-Backbone interact. energy: 3.545
local terms energy: -106.642890
where:
bonds (distance) C4'-P energy: -29.762
bonds (distance) P-C4' energy: -28.410
flat angles C4'-P-C4' energy: -30.208
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -157.186373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.186373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.186373 (E_RNA)
where:
Base-Base interactions energy: -51.873
where: short stacking energy: -49.164
Base-Backbone interact. energy: -1.785
local terms energy: -103.528544
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -28.064
flat angles C4'-P-C4' energy: -28.058
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -6.041
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: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -516.086001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.086001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.086001 (E_RNA)
where:
Base-Base interactions energy: -350.252
where: short stacking energy: -131.588
Base-Backbone interact. energy: -0.866
local terms energy: -164.967971
where:
bonds (distance) C4'-P energy: -30.997
bonds (distance) P-C4' energy: -42.835
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -24.674
tors. eta vs tors. theta energy: -32.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -516.733429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.733429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.733429 (E_RNA)
where:
Base-Base interactions energy: -341.941
where: short stacking energy: -142.805
Base-Backbone interact. energy: -1.489
local terms energy: -173.304058
where:
bonds (distance) C4'-P energy: -33.680
bonds (distance) P-C4' energy: -39.368
flat angles C4'-P-C4' energy: -34.566
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: -40.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -493.196075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.196075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.196075 (E_RNA)
where:
Base-Base interactions energy: -322.053
where: short stacking energy: -150.739
Base-Backbone interact. energy: 0.460
local terms energy: -171.602901
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -39.163
flat angles C4'-P-C4' energy: -34.388
flat angles P-C4'-P energy: -27.009
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -426.618045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.618045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.618045 (E_RNA)
where:
Base-Base interactions energy: -271.662
where: short stacking energy: -105.906
Base-Backbone interact. energy: -0.501
local terms energy: -154.454796
where:
bonds (distance) C4'-P energy: -35.304
bonds (distance) P-C4' energy: -35.807
flat angles C4'-P-C4' energy: -32.400
flat angles P-C4'-P energy: -20.151
tors. eta vs tors. theta energy: -30.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -309.491594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.491594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.491594 (E_RNA)
where:
Base-Base interactions energy: -178.785
where: short stacking energy: -78.044
Base-Backbone interact. energy: -1.170
local terms energy: -129.536089
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -32.663
flat angles P-C4'-P energy: -22.825
tors. eta vs tors. theta energy: -15.528
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: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -348.460768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.460768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.460768 (E_RNA)
where:
Base-Base interactions energy: -197.748
where: short stacking energy: -110.056
Base-Backbone interact. energy: -0.757
local terms energy: -149.955031
where:
bonds (distance) C4'-P energy: -35.580
bonds (distance) P-C4' energy: -32.406
flat angles C4'-P-C4' energy: -31.729
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -27.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -216.711389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.711389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.711389 (E_RNA)
where:
Base-Base interactions energy: -100.839
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.872
local terms energy: -115.000829
where:
bonds (distance) C4'-P energy: -27.725
bonds (distance) P-C4' energy: -36.307
flat angles C4'-P-C4' energy: -34.731
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -190.927366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.927366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.927366 (E_RNA)
where:
Base-Base interactions energy: -77.586
where: short stacking energy: -75.222
Base-Backbone interact. energy: 0.100
local terms energy: -113.440970
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -164.777285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.777285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.777285 (E_RNA)
where:
Base-Base interactions energy: -55.541
where: short stacking energy: -51.874
Base-Backbone interact. energy: -0.292
local terms energy: -109.397394
where:
bonds (distance) C4'-P energy: -30.673
bonds (distance) P-C4' energy: -29.856
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -14.766
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: 0.454 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -146.278478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.278478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.278478 (E_RNA)
where:
Base-Base interactions energy: -45.868
where: short stacking energy: -43.303
Base-Backbone interact. energy: -0.903
local terms energy: -99.508076
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: 2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -521.527400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.527400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.527400 (E_RNA)
where:
Base-Base interactions energy: -359.752
where: short stacking energy: -143.675
Base-Backbone interact. energy: -0.902
local terms energy: -160.874082
where:
bonds (distance) C4'-P energy: -34.990
bonds (distance) P-C4' energy: -39.632
flat angles C4'-P-C4' energy: -35.796
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -32.550
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: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -508.478649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.478649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.478649 (E_RNA)
where:
Base-Base interactions energy: -338.869
where: short stacking energy: -156.973
Base-Backbone interact. energy: 0.641
local terms energy: -170.251574
where:
bonds (distance) C4'-P energy: -28.574
bonds (distance) P-C4' energy: -36.290
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -40.014
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: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -493.438104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.438104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.438104 (E_RNA)
where:
Base-Base interactions energy: -323.711
where: short stacking energy: -142.491
Base-Backbone interact. energy: -0.110
local terms energy: -170.292895
where:
bonds (distance) C4'-P energy: -37.977
bonds (distance) P-C4' energy: -40.570
flat angles C4'-P-C4' energy: -32.227
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -39.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.676 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -446.291742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.291742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.291742 (E_RNA)
where:
Base-Base interactions energy: -297.660
where: short stacking energy: -115.342
Base-Backbone interact. energy: -0.329
local terms energy: -148.302751
where:
bonds (distance) C4'-P energy: -30.707
bonds (distance) P-C4' energy: -35.007
flat angles C4'-P-C4' energy: -37.641
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -313.787875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.787875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.787875 (E_RNA)
where:
Base-Base interactions energy: -173.214
where: short stacking energy: -94.481
Base-Backbone interact. energy: -1.159
local terms energy: -139.415363
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -34.256
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -27.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -349.382051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.382051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.382051 (E_RNA)
where:
Base-Base interactions energy: -207.364
where: short stacking energy: -109.078
Base-Backbone interact. energy: 0.389
local terms energy: -142.406825
where:
bonds (distance) C4'-P energy: -27.829
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -31.877
flat angles P-C4'-P energy: -19.524
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -236.814772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.814772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.814772 (E_RNA)
where:
Base-Base interactions energy: -117.919
where: short stacking energy: -64.214
Base-Backbone interact. energy: -0.042
local terms energy: -118.853738
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -28.778
flat angles C4'-P-C4' energy: -25.785
flat angles P-C4'-P energy: -21.207
tors. eta vs tors. theta energy: -11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -168.234528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.234528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.234528 (E_RNA)
where:
Base-Base interactions energy: -68.871
where: short stacking energy: -56.598
Base-Backbone interact. energy: -0.986
local terms energy: -100.646825
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -36.373
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -17.018
tors. eta vs tors. theta energy: 4.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.269 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -167.131849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.131849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.131849 (E_RNA)
where:
Base-Base interactions energy: -61.473
where: short stacking energy: -46.384
Base-Backbone interact. energy: -1.399
local terms energy: -104.260143
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -155.124076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.124076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.124076 (E_RNA)
where:
Base-Base interactions energy: -53.107
where: short stacking energy: -50.457
Base-Backbone interact. energy: 0.429
local terms energy: -102.446404
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -30.101
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -6.292
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: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -542.719205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.719205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.719205 (E_RNA)
where:
Base-Base interactions energy: -383.430
where: short stacking energy: -134.714
Base-Backbone interact. energy: -0.852
local terms energy: -158.437226
where:
bonds (distance) C4'-P energy: -31.684
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -36.434
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: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -509.683316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.683316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.683316 (E_RNA)
where:
Base-Base interactions energy: -345.798
where: short stacking energy: -149.384
Base-Backbone interact. energy: -0.222
local terms energy: -163.663539
where:
bonds (distance) C4'-P energy: -32.673
bonds (distance) P-C4' energy: -36.979
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -28.892
tors. eta vs tors. theta energy: -39.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -509.191893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.191893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.191893 (E_RNA)
where:
Base-Base interactions energy: -348.215
where: short stacking energy: -144.030
Base-Backbone interact. energy: -0.049
local terms energy: -160.928332
where:
bonds (distance) C4'-P energy: -27.704
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -27.850
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -45.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -448.527814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.527814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.527814 (E_RNA)
where:
Base-Base interactions energy: -294.500
where: short stacking energy: -118.607
Base-Backbone interact. energy: -0.402
local terms energy: -153.625860
where:
bonds (distance) C4'-P energy: -35.052
bonds (distance) P-C4' energy: -34.264
flat angles C4'-P-C4' energy: -34.067
flat angles P-C4'-P energy: -18.462
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: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -364.613272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.613272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.613272 (E_RNA)
where:
Base-Base interactions energy: -220.693
where: short stacking energy: -126.914
Base-Backbone interact. energy: 0.452
local terms energy: -144.372043
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -35.196
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -34.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -299.730412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.730412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.730412 (E_RNA)
where:
Base-Base interactions energy: -172.010
where: short stacking energy: -73.272
Base-Backbone interact. energy: 0.529
local terms energy: -128.505935
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -23.053
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.257 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -310.848783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.848783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.848783 (E_RNA)
where:
Base-Base interactions energy: -188.971
where: short stacking energy: -76.021
Base-Backbone interact. energy: -1.283
local terms energy: -120.594778
where:
bonds (distance) C4'-P energy: -22.950
bonds (distance) P-C4' energy: -27.060
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -23.943
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -161.353191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.353191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.353191 (E_RNA)
where:
Base-Base interactions energy: -56.854
where: short stacking energy: -49.695
Base-Backbone interact. energy: -0.317
local terms energy: -104.182122
where:
bonds (distance) C4'-P energy: -29.599
bonds (distance) P-C4' energy: -30.387
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: 2.446
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: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -162.777231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.777231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.777231 (E_RNA)
where:
Base-Base interactions energy: -49.011
where: short stacking energy: -46.239
Base-Backbone interact. energy: -0.842
local terms energy: -112.924702
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -32.433
flat angles C4'-P-C4' energy: -35.533
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: 6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -156.987487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.987487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.987487 (E_RNA)
where:
Base-Base interactions energy: -47.019
where: short stacking energy: -38.912
Base-Backbone interact. energy: -2.840
local terms energy: -107.128812
where:
bonds (distance) C4'-P energy: -36.771
bonds (distance) P-C4' energy: -36.170
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -526.408785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.408785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.408785 (E_RNA)
where:
Base-Base interactions energy: -373.065
where: short stacking energy: -143.664
Base-Backbone interact. energy: 2.353
local terms energy: -155.696425
where:
bonds (distance) C4'-P energy: -30.820
bonds (distance) P-C4' energy: -31.216
flat angles C4'-P-C4' energy: -35.443
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -36.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -526.757897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.757897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.757897 (E_RNA)
where:
Base-Base interactions energy: -362.065
where: short stacking energy: -147.868
Base-Backbone interact. energy: -0.206
local terms energy: -164.486917
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -36.542
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -23.057
tors. eta vs tors. theta energy: -46.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -508.071883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.071883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.071883 (E_RNA)
where:
Base-Base interactions energy: -344.794
where: short stacking energy: -142.288
Base-Backbone interact. energy: -0.531
local terms energy: -162.747003
where:
bonds (distance) C4'-P energy: -34.587
bonds (distance) P-C4' energy: -32.780
flat angles C4'-P-C4' energy: -32.963
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -40.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -456.317579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.317579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.317579 (E_RNA)
where:
Base-Base interactions energy: -302.499
where: short stacking energy: -121.403
Base-Backbone interact. energy: -0.539
local terms energy: -153.279845
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -35.718
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -39.528
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: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -359.330831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.330831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.330831 (E_RNA)
where:
Base-Base interactions energy: -210.737
where: short stacking energy: -119.784
Base-Backbone interact. energy: -1.259
local terms energy: -147.335356
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -36.007
flat angles C4'-P-C4' energy: -32.523
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -32.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -377.393241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.393241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.393241 (E_RNA)
where:
Base-Base interactions energy: -241.742
where: short stacking energy: -107.743
Base-Backbone interact. energy: -0.141
local terms energy: -135.511057
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -28.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -290.791979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.791979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.791979 (E_RNA)
where:
Base-Base interactions energy: -168.803
where: short stacking energy: -85.819
Base-Backbone interact. energy: 1.378
local terms energy: -123.366774
where:
bonds (distance) C4'-P energy: -29.868
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -29.061
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -188.811847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.811847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.811847 (E_RNA)
where:
Base-Base interactions energy: -74.616
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.275
local terms energy: -114.017813
where:
bonds (distance) C4'-P energy: -24.136
bonds (distance) P-C4' energy: -35.687
flat angles C4'-P-C4' energy: -27.790
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.097 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -155.814057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.814057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.814057 (E_RNA)
where:
Base-Base interactions energy: -53.541
where: short stacking energy: -44.217
Base-Backbone interact. energy: 0.904
local terms energy: -103.406930
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -35.870
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: 3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.230 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -150.448316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.448316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.448316 (E_RNA)
where:
Base-Base interactions energy: -61.292
where: short stacking energy: -44.239
Base-Backbone interact. energy: 0.318
local terms energy: -89.475071
where:
bonds (distance) C4'-P energy: -27.321
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -532.412546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.412546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.412546 (E_RNA)
where:
Base-Base interactions energy: -350.134
where: short stacking energy: -159.194
Base-Backbone interact. energy: -0.459
local terms energy: -181.819266
where:
bonds (distance) C4'-P energy: -34.586
bonds (distance) P-C4' energy: -37.894
flat angles C4'-P-C4' energy: -37.607
flat angles P-C4'-P energy: -22.604
tors. eta vs tors. theta energy: -49.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -520.588496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.588496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.588496 (E_RNA)
where:
Base-Base interactions energy: -371.709
where: short stacking energy: -123.906
Base-Backbone interact. energy: -0.483
local terms energy: -148.396570
where:
bonds (distance) C4'-P energy: -24.120
bonds (distance) P-C4' energy: -31.549
flat angles C4'-P-C4' energy: -33.404
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: -35.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -479.574689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.574689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.574689 (E_RNA)
where:
Base-Base interactions energy: -323.789
where: short stacking energy: -117.110
Base-Backbone interact. energy: -0.577
local terms energy: -155.208425
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -27.319
flat angles P-C4'-P energy: -28.293
tors. eta vs tors. theta energy: -32.801
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: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -412.865752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.865752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.865752 (E_RNA)
where:
Base-Base interactions energy: -266.374
where: short stacking energy: -110.289
Base-Backbone interact. energy: -0.543
local terms energy: -145.948541
where:
bonds (distance) C4'-P energy: -32.270
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -389.526527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.526527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.526527 (E_RNA)
where:
Base-Base interactions energy: -245.638
where: short stacking energy: -110.863
Base-Backbone interact. energy: -0.100
local terms energy: -143.788359
where:
bonds (distance) C4'-P energy: -30.281
bonds (distance) P-C4' energy: -37.739
flat angles C4'-P-C4' energy: -35.141
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -21.898
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: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -332.690685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.690685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.690685 (E_RNA)
where:
Base-Base interactions energy: -193.642
where: short stacking energy: -84.608
Base-Backbone interact. energy: -0.002
local terms energy: -139.046122
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -34.747
flat angles C4'-P-C4' energy: -36.947
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: -15.037
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: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -279.109031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.109031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.109031 (E_RNA)
where:
Base-Base interactions energy: -156.980
where: short stacking energy: -73.987
Base-Backbone interact. energy: 1.456
local terms energy: -123.704665
where:
bonds (distance) C4'-P energy: -32.987
bonds (distance) P-C4' energy: -32.821
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -18.750
tors. eta vs tors. theta energy: -8.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.120 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -194.637380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.637380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.637380 (E_RNA)
where:
Base-Base interactions energy: -80.957
where: short stacking energy: -69.526
Base-Backbone interact. energy: 0.236
local terms energy: -113.916535
where:
bonds (distance) C4'-P energy: -32.693
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -22.077
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -5.915
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: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -203.772948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.772948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.772948 (E_RNA)
where:
Base-Base interactions energy: -87.823
where: short stacking energy: -46.782
Base-Backbone interact. energy: -0.892
local terms energy: -115.058394
where:
bonds (distance) C4'-P energy: -28.204
bonds (distance) P-C4' energy: -38.070
flat angles C4'-P-C4' energy: -32.764
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -5.817
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: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -138.058385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.058385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.058385 (E_RNA)
where:
Base-Base interactions energy: -45.570
where: short stacking energy: -37.465
Base-Backbone interact. energy: 0.079
local terms energy: -93.769454
where:
bonds (distance) C4'-P energy: -30.518
bonds (distance) P-C4' energy: -27.492
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -18.436
tors. eta vs tors. theta energy: 4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.202 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -529.044475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.044475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.044475 (E_RNA)
where:
Base-Base interactions energy: -353.819
where: short stacking energy: -163.327
Base-Backbone interact. energy: -0.140
local terms energy: -175.084714
where:
bonds (distance) C4'-P energy: -26.462
bonds (distance) P-C4' energy: -38.651
flat angles C4'-P-C4' energy: -38.466
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -49.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -533.703794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.703794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.703794 (E_RNA)
where:
Base-Base interactions energy: -377.750
where: short stacking energy: -142.326
Base-Backbone interact. energy: -0.712
local terms energy: -155.357022
where:
bonds (distance) C4'-P energy: -26.973
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -32.648
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -42.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.115 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -466.889721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.889721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.889721 (E_RNA)
where:
Base-Base interactions energy: -309.446
where: short stacking energy: -125.131
Base-Backbone interact. energy: 2.051
local terms energy: -159.495151
where:
bonds (distance) C4'-P energy: -33.426
bonds (distance) P-C4' energy: -35.019
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -31.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -419.969064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.969064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.969064 (E_RNA)
where:
Base-Base interactions energy: -276.407
where: short stacking energy: -106.566
Base-Backbone interact. energy: -1.665
local terms energy: -141.897450
where:
bonds (distance) C4'-P energy: -36.171
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -24.463
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: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -384.256919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.256919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.256919 (E_RNA)
where:
Base-Base interactions energy: -252.733
where: short stacking energy: -104.306
Base-Backbone interact. energy: -1.315
local terms energy: -130.208200
where:
bonds (distance) C4'-P energy: -33.460
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -23.943
flat angles P-C4'-P energy: -21.875
tors. eta vs tors. theta energy: -22.302
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: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -298.144083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.144083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.144083 (E_RNA)
where:
Base-Base interactions energy: -170.584
where: short stacking energy: -84.865
Base-Backbone interact. energy: -0.439
local terms energy: -127.121075
where:
bonds (distance) C4'-P energy: -27.306
bonds (distance) P-C4' energy: -33.167
flat angles C4'-P-C4' energy: -33.227
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -289.162237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.162237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.162237 (E_RNA)
where:
Base-Base interactions energy: -155.776
where: short stacking energy: -84.657
Base-Backbone interact. energy: 0.141
local terms energy: -133.527065
where:
bonds (distance) C4'-P energy: -32.416
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -22.238
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -182.711164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.711164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.711164 (E_RNA)
where:
Base-Base interactions energy: -81.290
where: short stacking energy: -43.427
Base-Backbone interact. energy: -1.330
local terms energy: -100.091078
where:
bonds (distance) C4'-P energy: -32.260
bonds (distance) P-C4' energy: -26.775
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: 0.852
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: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -189.731111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.731111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.731111 (E_RNA)
where:
Base-Base interactions energy: -89.155
where: short stacking energy: -55.033
Base-Backbone interact. energy: -0.518
local terms energy: -100.057840
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -28.740
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -9.347
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: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -150.037719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.037719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.037719 (E_RNA)
where:
Base-Base interactions energy: -49.599
where: short stacking energy: -32.466
Base-Backbone interact. energy: 1.163
local terms energy: -101.601808
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -32.717
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: 3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -546.997484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.997484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.997484 (E_RNA)
where:
Base-Base interactions energy: -382.013
where: short stacking energy: -142.221
Base-Backbone interact. energy: -0.146
local terms energy: -164.838123
where:
bonds (distance) C4'-P energy: -37.350
bonds (distance) P-C4' energy: -36.701
flat angles C4'-P-C4' energy: -30.791
flat angles P-C4'-P energy: -22.063
tors. eta vs tors. theta energy: -37.933
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: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -527.103355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.103355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.103355 (E_RNA)
where:
Base-Base interactions energy: -351.115
where: short stacking energy: -154.110
Base-Backbone interact. energy: -0.746
local terms energy: -175.242028
where:
bonds (distance) C4'-P energy: -37.844
bonds (distance) P-C4' energy: -34.129
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -23.774
tors. eta vs tors. theta energy: -49.786
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: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -467.755042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.755042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.755042 (E_RNA)
where:
Base-Base interactions energy: -319.222
where: short stacking energy: -135.347
Base-Backbone interact. energy: 1.093
local terms energy: -149.625596
where:
bonds (distance) C4'-P energy: -29.563
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -34.364
flat angles P-C4'-P energy: -26.125
tors. eta vs tors. theta energy: -32.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -435.396927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.396927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.396927 (E_RNA)
where:
Base-Base interactions energy: -274.104
where: short stacking energy: -102.193
Base-Backbone interact. energy: 1.459
local terms energy: -162.752060
where:
bonds (distance) C4'-P energy: -34.256
bonds (distance) P-C4' energy: -35.517
flat angles C4'-P-C4' energy: -38.663
flat angles P-C4'-P energy: -23.258
tors. eta vs tors. theta energy: -31.058
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: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -382.961832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.961832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.961832 (E_RNA)
where:
Base-Base interactions energy: -238.917
where: short stacking energy: -112.248
Base-Backbone interact. energy: -0.669
local terms energy: -143.376505
where:
bonds (distance) C4'-P energy: -33.490
bonds (distance) P-C4' energy: -33.547
flat angles C4'-P-C4' energy: -24.577
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -27.995
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: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -303.525235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.525235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.525235 (E_RNA)
where:
Base-Base interactions energy: -179.904
where: short stacking energy: -99.207
Base-Backbone interact. energy: 0.703
local terms energy: -124.324037
where:
bonds (distance) C4'-P energy: -30.797
bonds (distance) P-C4' energy: -27.439
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -325.992368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.992368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.992368 (E_RNA)
where:
Base-Base interactions energy: -204.639
where: short stacking energy: -94.534
Base-Backbone interact. energy: -0.468
local terms energy: -120.884820
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -32.219
flat angles C4'-P-C4' energy: -32.365
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -173.977471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.977471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.977471 (E_RNA)
where:
Base-Base interactions energy: -78.787
where: short stacking energy: -57.323
Base-Backbone interact. energy: -1.158
local terms energy: -94.032782
where:
bonds (distance) C4'-P energy: -30.034
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -144.913635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.913635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.913635 (E_RNA)
where:
Base-Base interactions energy: -50.526
where: short stacking energy: -28.924
Base-Backbone interact. energy: -1.403
local terms energy: -92.983870
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -32.698
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: 5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -139.311667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.311667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.311667 (E_RNA)
where:
Base-Base interactions energy: -41.310
where: short stacking energy: -37.488
Base-Backbone interact. energy: -0.604
local terms energy: -97.397717
where:
bonds (distance) C4'-P energy: -31.653
bonds (distance) P-C4' energy: -33.822
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: 5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -557.132329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.132329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.132329 (E_RNA)
where:
Base-Base interactions energy: -384.453
where: short stacking energy: -146.989
Base-Backbone interact. energy: -0.365
local terms energy: -172.314456
where:
bonds (distance) C4'-P energy: -33.357
bonds (distance) P-C4' energy: -38.501
flat angles C4'-P-C4' energy: -34.536
flat angles P-C4'-P energy: -22.654
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: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -523.248653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.248653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.248653 (E_RNA)
where:
Base-Base interactions energy: -365.329
where: short stacking energy: -157.272
Base-Backbone interact. energy: -0.682
local terms energy: -157.237376
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -30.777
flat angles C4'-P-C4' energy: -34.370
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -44.305
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: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -471.343008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.343008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.343008 (E_RNA)
where:
Base-Base interactions energy: -311.784
where: short stacking energy: -135.130
Base-Backbone interact. energy: -0.680
local terms energy: -158.878839
where:
bonds (distance) C4'-P energy: -31.155
bonds (distance) P-C4' energy: -31.309
flat angles C4'-P-C4' energy: -36.996
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -37.274
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: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -413.624090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.624090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.624090 (E_RNA)
where:
Base-Base interactions energy: -267.551
where: short stacking energy: -125.235
Base-Backbone interact. energy: -0.797
local terms energy: -145.276098
where:
bonds (distance) C4'-P energy: -37.128
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -27.309
flat angles P-C4'-P energy: -21.495
tors. eta vs tors. theta energy: -21.380
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: 9
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -442.851846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.851846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.851846 (E_RNA)
where:
Base-Base interactions energy: -280.020
where: short stacking energy: -125.147
Base-Backbone interact. energy: -0.683
local terms energy: -162.149586
where:
bonds (distance) C4'-P energy: -38.166
bonds (distance) P-C4' energy: -33.838
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -27.860
tors. eta vs tors. theta energy: -29.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -341.885563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.885563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.885563 (E_RNA)
where:
Base-Base interactions energy: -201.306
where: short stacking energy: -82.922
Base-Backbone interact. energy: -0.269
local terms energy: -140.310322
where:
bonds (distance) C4'-P energy: -30.694
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: -25.496
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: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -356.903763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.903763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.903763 (E_RNA)
where:
Base-Base interactions energy: -233.622
where: short stacking energy: -110.961
Base-Backbone interact. energy: -0.329
local terms energy: -122.952307
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -30.769
flat angles P-C4'-P energy: -19.451
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: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -192.366208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.366208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.366208 (E_RNA)
where:
Base-Base interactions energy: -73.232
where: short stacking energy: -56.570
Base-Backbone interact. energy: 0.003
local terms energy: -119.530770
where:
bonds (distance) C4'-P energy: -29.725
bonds (distance) P-C4' energy: -29.595
flat angles C4'-P-C4' energy: -29.114
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.394 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -167.791351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.791351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.791351 (E_RNA)
where:
Base-Base interactions energy: -48.793
where: short stacking energy: -45.853
Base-Backbone interact. energy: 1.955
local terms energy: -120.953366
where:
bonds (distance) C4'-P energy: -35.763
bonds (distance) P-C4' energy: -34.104
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -145.937467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.937467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.937467 (E_RNA)
where:
Base-Base interactions energy: -57.636
where: short stacking energy: -34.854
Base-Backbone interact. energy: -1.356
local terms energy: -86.945633
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -31.383
flat angles C4'-P-C4' energy: -30.778
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: 7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -532.757752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.757752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.757752 (E_RNA)
where:
Base-Base interactions energy: -370.590
where: short stacking energy: -152.261
Base-Backbone interact. energy: -0.962
local terms energy: -161.205916
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -34.819
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: -43.248
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: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -537.017830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.017830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.017830 (E_RNA)
where:
Base-Base interactions energy: -359.825
where: short stacking energy: -139.909
Base-Backbone interact. energy: -0.336
local terms energy: -176.857306
where:
bonds (distance) C4'-P energy: -34.627
bonds (distance) P-C4' energy: -34.539
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -48.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -465.570224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.570224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.570224 (E_RNA)
where:
Base-Base interactions energy: -307.835
where: short stacking energy: -138.368
Base-Backbone interact. energy: -0.249
local terms energy: -157.486212
where:
bonds (distance) C4'-P energy: -32.583
bonds (distance) P-C4' energy: -35.128
flat angles C4'-P-C4' energy: -32.618
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -35.464
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: 36
Temperature: 1.050000
Total energy: -417.101902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.101902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.101902 (E_RNA)
where:
Base-Base interactions energy: -263.705
where: short stacking energy: -121.903
Base-Backbone interact. energy: -0.257
local terms energy: -153.139640
where:
bonds (distance) C4'-P energy: -36.319
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -28.044
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -36.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -411.839337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.839337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.839337 (E_RNA)
where:
Base-Base interactions energy: -277.167
where: short stacking energy: -102.996
Base-Backbone interact. energy: -0.851
local terms energy: -133.821739
where:
bonds (distance) C4'-P energy: -26.657
bonds (distance) P-C4' energy: -35.261
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -362.589136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.589136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.589136 (E_RNA)
where:
Base-Base interactions energy: -240.117
where: short stacking energy: -102.834
Base-Backbone interact. energy: 1.225
local terms energy: -123.697403
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -345.940386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.940386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.940386 (E_RNA)
where:
Base-Base interactions energy: -211.857
where: short stacking energy: -94.860
Base-Backbone interact. energy: -0.184
local terms energy: -133.899709
where:
bonds (distance) C4'-P energy: -31.182
bonds (distance) P-C4' energy: -35.688
flat angles C4'-P-C4' energy: -35.375
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -179.357707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.357707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.357707 (E_RNA)
where:
Base-Base interactions energy: -62.088
where: short stacking energy: -45.577
Base-Backbone interact. energy: 3.842
local terms energy: -121.112383
where:
bonds (distance) C4'-P energy: -33.393
bonds (distance) P-C4' energy: -31.413
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -24.369
tors. eta vs tors. theta energy: -5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -162.160587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.160587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.160587 (E_RNA)
where:
Base-Base interactions energy: -48.005
where: short stacking energy: -43.632
Base-Backbone interact. energy: 1.826
local terms energy: -115.982378
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -35.512
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -22.034
tors. eta vs tors. theta energy: -7.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -139.841449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.841449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.841449 (E_RNA)
where:
Base-Base interactions energy: -54.805
where: short stacking energy: -29.620
Base-Backbone interact. energy: -1.840
local terms energy: -85.121795
where:
bonds (distance) C4'-P energy: -29.913
bonds (distance) P-C4' energy: -26.866
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -16.488
tors. eta vs tors. theta energy: 6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.925 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -526.636307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.636307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.636307 (E_RNA)
where:
Base-Base interactions energy: -367.543
where: short stacking energy: -151.190
Base-Backbone interact. energy: -0.929
local terms energy: -158.163700
where:
bonds (distance) C4'-P energy: -31.964
bonds (distance) P-C4' energy: -34.164
flat angles C4'-P-C4' energy: -24.038
flat angles P-C4'-P energy: -24.366
tors. eta vs tors. theta energy: -43.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -537.426394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.426394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.426394 (E_RNA)
where:
Base-Base interactions energy: -369.885
where: short stacking energy: -135.285
Base-Backbone interact. energy: -0.623
local terms energy: -166.918372
where:
bonds (distance) C4'-P energy: -30.132
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -25.499
tors. eta vs tors. theta energy: -42.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -490.768726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.768726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.768726 (E_RNA)
where:
Base-Base interactions energy: -326.972
where: short stacking energy: -153.200
Base-Backbone interact. energy: -0.932
local terms energy: -162.864441
where:
bonds (distance) C4'-P energy: -26.471
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -35.430
flat angles P-C4'-P energy: -19.672
tors. eta vs tors. theta energy: -44.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -429.891980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.891980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.891980 (E_RNA)
where:
Base-Base interactions energy: -278.927
where: short stacking energy: -123.842
Base-Backbone interact. energy: -0.251
local terms energy: -150.714782
where:
bonds (distance) C4'-P energy: -22.939
bonds (distance) P-C4' energy: -34.672
flat angles C4'-P-C4' energy: -31.380
flat angles P-C4'-P energy: -26.509
tors. eta vs tors. theta energy: -35.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -361.058857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.058857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.058857 (E_RNA)
where:
Base-Base interactions energy: -218.609
where: short stacking energy: -98.855
Base-Backbone interact. energy: -0.286
local terms energy: -142.163900
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -38.162
flat angles C4'-P-C4' energy: -32.459
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -22.929
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: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -288.879130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.879130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.879130 (E_RNA)
where:
Base-Base interactions energy: -181.932
where: short stacking energy: -73.345
Base-Backbone interact. energy: -0.415
local terms energy: -106.532662
where:
bonds (distance) C4'-P energy: -27.934
bonds (distance) P-C4' energy: -25.395
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -11.173
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: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -307.302766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.302766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.302766 (E_RNA)
where:
Base-Base interactions energy: -190.225
where: short stacking energy: -77.729
Base-Backbone interact. energy: -2.621
local terms energy: -114.456941
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -180.411367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.411367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.411367 (E_RNA)
where:
Base-Base interactions energy: -69.065
where: short stacking energy: -44.268
Base-Backbone interact. energy: -0.420
local terms energy: -110.927119
where:
bonds (distance) C4'-P energy: -30.152
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -28.212
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -152.466360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.466360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.466360 (E_RNA)
where:
Base-Base interactions energy: -62.929
where: short stacking energy: -42.921
Base-Backbone interact. energy: 0.232
local terms energy: -89.769082
where:
bonds (distance) C4'-P energy: -27.824
bonds (distance) P-C4' energy: -32.461
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: 6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -146.562281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.562281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.562281 (E_RNA)
where:
Base-Base interactions energy: -48.984
where: short stacking energy: -35.479
Base-Backbone interact. energy: -0.118
local terms energy: -97.460903
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -36.578
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: 6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -552.920688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.920688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.920688 (E_RNA)
where:
Base-Base interactions energy: -380.956
where: short stacking energy: -140.910
Base-Backbone interact. energy: -0.915
local terms energy: -171.727096
where:
bonds (distance) C4'-P energy: -37.993
bonds (distance) P-C4' energy: -38.602
flat angles C4'-P-C4' energy: -32.912
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -40.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.678 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -519.007492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.007492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.007492 (E_RNA)
where:
Base-Base interactions energy: -349.849
where: short stacking energy: -147.729
Base-Backbone interact. energy: -0.792
local terms energy: -168.366320
where:
bonds (distance) C4'-P energy: -29.510
bonds (distance) P-C4' energy: -32.137
flat angles C4'-P-C4' energy: -39.212
flat angles P-C4'-P energy: -24.748
tors. eta vs tors. theta energy: -42.759
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: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -472.617990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.617990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.617990 (E_RNA)
where:
Base-Base interactions energy: -305.175
where: short stacking energy: -150.372
Base-Backbone interact. energy: 0.195
local terms energy: -167.637451
where:
bonds (distance) C4'-P energy: -33.984
bonds (distance) P-C4' energy: -36.083
flat angles C4'-P-C4' energy: -33.829
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -44.949
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: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -461.282997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.282997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.282997 (E_RNA)
where:
Base-Base interactions energy: -301.558
where: short stacking energy: -145.178
Base-Backbone interact. energy: 2.115
local terms energy: -162.300782
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -33.990
flat angles C4'-P-C4' energy: -38.870
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -41.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.461 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -338.732338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.732338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.732338 (E_RNA)
where:
Base-Base interactions energy: -211.974
where: short stacking energy: -89.123
Base-Backbone interact. energy: 0.460
local terms energy: -127.217959
where:
bonds (distance) C4'-P energy: -23.477
bonds (distance) P-C4' energy: -29.558
flat angles C4'-P-C4' energy: -36.511
flat angles P-C4'-P energy: -22.557
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: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -364.878495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.878495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.878495 (E_RNA)
where:
Base-Base interactions energy: -233.264
where: short stacking energy: -113.141
Base-Backbone interact. energy: -0.645
local terms energy: -131.040856
where:
bonds (distance) C4'-P energy: -30.463
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -27.682
flat angles P-C4'-P energy: -18.185
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.071 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -276.284906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.284906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.284906 (E_RNA)
where:
Base-Base interactions energy: -163.703
where: short stacking energy: -93.042
Base-Backbone interact. energy: -0.580
local terms energy: -112.002012
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -39.076
flat angles C4'-P-C4' energy: -29.602
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -13.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -165.788585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.788585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.788585 (E_RNA)
where:
Base-Base interactions energy: -72.341
where: short stacking energy: -45.686
Base-Backbone interact. energy: -2.203
local terms energy: -91.244987
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -33.986
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: 1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -184.926682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.926682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.926682 (E_RNA)
where:
Base-Base interactions energy: -74.541
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.319
local terms energy: -110.066858
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -31.045
flat angles C4'-P-C4' energy: -31.307
flat angles P-C4'-P energy: -19.219
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -151.364797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.364797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.364797 (E_RNA)
where:
Base-Base interactions energy: -53.804
where: short stacking energy: -40.528
Base-Backbone interact. energy: -0.541
local terms energy: -97.018898
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -29.163
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: 3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -545.699786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.699786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.699786 (E_RNA)
where:
Base-Base interactions energy: -382.150
where: short stacking energy: -140.976
Base-Backbone interact. energy: 2.915
local terms energy: -166.464275
where:
bonds (distance) C4'-P energy: -31.695
bonds (distance) P-C4' energy: -38.639
flat angles C4'-P-C4' energy: -35.675
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -42.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -479.952745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.952745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.952745 (E_RNA)
where:
Base-Base interactions energy: -297.769
where: short stacking energy: -152.336
Base-Backbone interact. energy: -2.344
local terms energy: -179.838922
where:
bonds (distance) C4'-P energy: -31.131
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -37.537
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -49.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -506.988354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.988354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.988354 (E_RNA)
where:
Base-Base interactions energy: -349.325
where: short stacking energy: -148.399
Base-Backbone interact. energy: -0.291
local terms energy: -157.372456
where:
bonds (distance) C4'-P energy: -32.906
bonds (distance) P-C4' energy: -38.505
flat angles C4'-P-C4' energy: -30.090
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -43.545
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: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -464.265081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.265081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.265081 (E_RNA)
where:
Base-Base interactions energy: -309.533
where: short stacking energy: -147.441
Base-Backbone interact. energy: -0.455
local terms energy: -154.276358
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -31.794
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -41.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -342.303514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.303514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.303514 (E_RNA)
where:
Base-Base interactions energy: -209.242
where: short stacking energy: -93.690
Base-Backbone interact. energy: -1.242
local terms energy: -131.819396
where:
bonds (distance) C4'-P energy: -30.033
bonds (distance) P-C4' energy: -32.740
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: -16.460
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: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -344.983362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.983362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.983362 (E_RNA)
where:
Base-Base interactions energy: -208.141
where: short stacking energy: -91.844
Base-Backbone interact. energy: 0.081
local terms energy: -136.923225
where:
bonds (distance) C4'-P energy: -33.619
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -29.779
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -21.164
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: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -287.914481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.914481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.914481 (E_RNA)
where:
Base-Base interactions energy: -169.153
where: short stacking energy: -95.550
Base-Backbone interact. energy: -0.304
local terms energy: -118.692536
where:
bonds (distance) C4'-P energy: -29.957
bonds (distance) P-C4' energy: -32.321
flat angles C4'-P-C4' energy: -25.389
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.235 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -187.577987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.577987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.577987 (E_RNA)
where:
Base-Base interactions energy: -83.168
where: short stacking energy: -65.738
Base-Backbone interact. energy: 0.134
local terms energy: -104.544430
where:
bonds (distance) C4'-P energy: -29.903
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -26.476
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -9.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -178.987148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.987148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.987148 (E_RNA)
where:
Base-Base interactions energy: -87.677
where: short stacking energy: -62.882
Base-Backbone interact. energy: -0.408
local terms energy: -90.901873
where:
bonds (distance) C4'-P energy: -26.839
bonds (distance) P-C4' energy: -33.528
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -16.139
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -145.654213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.654213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.654213 (E_RNA)
where:
Base-Base interactions energy: -54.781
where: short stacking energy: -47.653
Base-Backbone interact. energy: 0.033
local terms energy: -90.905583
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -34.212
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: 5.272
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: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -552.301301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.301301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.301301 (E_RNA)
where:
Base-Base interactions energy: -389.617
where: short stacking energy: -148.169
Base-Backbone interact. energy: -1.506
local terms energy: -161.178647
where:
bonds (distance) C4'-P energy: -31.449
bonds (distance) P-C4' energy: -36.166
flat angles C4'-P-C4' energy: -31.225
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -41.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -506.119262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.119262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.119262 (E_RNA)
where:
Base-Base interactions energy: -341.715
where: short stacking energy: -148.902
Base-Backbone interact. energy: -0.342
local terms energy: -164.061408
where:
bonds (distance) C4'-P energy: -29.493
bonds (distance) P-C4' energy: -39.192
flat angles C4'-P-C4' energy: -36.353
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -44.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -507.419324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.419324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.419324 (E_RNA)
where:
Base-Base interactions energy: -331.838
where: short stacking energy: -142.691
Base-Backbone interact. energy: -1.138
local terms energy: -174.442539
where:
bonds (distance) C4'-P energy: -35.930
bonds (distance) P-C4' energy: -37.953
flat angles C4'-P-C4' energy: -35.006
flat angles P-C4'-P energy: -22.342
tors. eta vs tors. theta energy: -43.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -472.420068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.420068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.420068 (E_RNA)
where:
Base-Base interactions energy: -303.281
where: short stacking energy: -132.519
Base-Backbone interact. energy: -1.612
local terms energy: -167.527677
where:
bonds (distance) C4'-P energy: -31.982
bonds (distance) P-C4' energy: -30.304
flat angles C4'-P-C4' energy: -38.396
flat angles P-C4'-P energy: -27.352
tors. eta vs tors. theta energy: -39.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -392.461434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.461434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.461434 (E_RNA)
where:
Base-Base interactions energy: -257.665
where: short stacking energy: -106.326
Base-Backbone interact. energy: -0.344
local terms energy: -134.451740
where:
bonds (distance) C4'-P energy: -30.976
bonds (distance) P-C4' energy: -33.865
flat angles C4'-P-C4' energy: -29.432
flat angles P-C4'-P energy: -16.764
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -328.322278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.322278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.322278 (E_RNA)
where:
Base-Base interactions energy: -199.975
where: short stacking energy: -89.096
Base-Backbone interact. energy: -1.971
local terms energy: -126.376250
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -28.611
flat angles C4'-P-C4' energy: -33.579
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -12.454
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: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -291.928436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.928436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.928436 (E_RNA)
where:
Base-Base interactions energy: -179.848
where: short stacking energy: -69.291
Base-Backbone interact. energy: -1.207
local terms energy: -110.873351
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -32.201
flat angles C4'-P-C4' energy: -28.926
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -180.989384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.989384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.989384 (E_RNA)
where:
Base-Base interactions energy: -79.070
where: short stacking energy: -46.765
Base-Backbone interact. energy: 0.176
local terms energy: -102.633476
where:
bonds (distance) C4'-P energy: -22.921
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.538 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -159.138174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.138174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.138174 (E_RNA)
where:
Base-Base interactions energy: -57.533
where: short stacking energy: -39.680
Base-Backbone interact. energy: 1.158
local terms energy: -102.762682
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -34.437
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -159.575394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.575394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.575394 (E_RNA)
where:
Base-Base interactions energy: -50.700
where: short stacking energy: -35.060
Base-Backbone interact. energy: 0.418
local terms energy: -109.293709
where:
bonds (distance) C4'-P energy: -27.452
bonds (distance) P-C4' energy: -35.001
flat angles C4'-P-C4' energy: -26.198
flat angles P-C4'-P energy: -20.722
tors. eta vs tors. theta energy: 0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -560.336099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.336099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.336099 (E_RNA)
where:
Base-Base interactions energy: -403.956
where: short stacking energy: -144.732
Base-Backbone interact. energy: -1.011
local terms energy: -155.368736
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -34.703
flat angles C4'-P-C4' energy: -28.142
flat angles P-C4'-P energy: -19.880
tors. eta vs tors. theta energy: -44.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -539.073216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.073216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.073216 (E_RNA)
where:
Base-Base interactions energy: -371.051
where: short stacking energy: -152.823
Base-Backbone interact. energy: -1.542
local terms energy: -166.480214
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -38.493
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -45.780
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: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -489.496432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.496432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.496432 (E_RNA)
where:
Base-Base interactions energy: -330.046
where: short stacking energy: -145.949
Base-Backbone interact. energy: -0.256
local terms energy: -159.194976
where:
bonds (distance) C4'-P energy: -28.699
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -35.983
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -42.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -452.629998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.629998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.629998 (E_RNA)
where:
Base-Base interactions energy: -303.327
where: short stacking energy: -126.089
Base-Backbone interact. energy: -0.895
local terms energy: -148.407615
where:
bonds (distance) C4'-P energy: -38.335
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -33.404
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -26.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -377.154617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.154617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.154617 (E_RNA)
where:
Base-Base interactions energy: -233.560
where: short stacking energy: -97.483
Base-Backbone interact. energy: 1.674
local terms energy: -145.267820
where:
bonds (distance) C4'-P energy: -34.426
bonds (distance) P-C4' energy: -30.945
flat angles C4'-P-C4' energy: -33.052
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -26.642
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: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -352.634173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.634173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.634173 (E_RNA)
where:
Base-Base interactions energy: -229.969
where: short stacking energy: -105.865
Base-Backbone interact. energy: -0.457
local terms energy: -122.207743
where:
bonds (distance) C4'-P energy: -25.495
bonds (distance) P-C4' energy: -35.098
flat angles C4'-P-C4' energy: -27.036
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -291.280359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.280359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.280359 (E_RNA)
where:
Base-Base interactions energy: -166.064
where: short stacking energy: -89.035
Base-Backbone interact. energy: -1.026
local terms energy: -124.190625
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -29.869
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -196.840421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.840421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.840421 (E_RNA)
where:
Base-Base interactions energy: -96.351
where: short stacking energy: -62.253
Base-Backbone interact. energy: -1.458
local terms energy: -99.840225
where:
bonds (distance) C4'-P energy: -29.190
bonds (distance) P-C4' energy: -31.478
flat angles C4'-P-C4' energy: -23.216
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.809 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -149.068786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.068786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.068786 (E_RNA)
where:
Base-Base interactions energy: -66.357
where: short stacking energy: -49.106
Base-Backbone interact. energy: 0.002
local terms energy: -83.024808
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -29.557
flat angles C4'-P-C4' energy: -32.219
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: 10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.311 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -150.632276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.632276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.632276 (E_RNA)
where:
Base-Base interactions energy: -34.273
where: short stacking energy: -34.108
Base-Backbone interact. energy: -0.173
local terms energy: -116.186091
where:
bonds (distance) C4'-P energy: -31.592
bonds (distance) P-C4' energy: -30.125
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -564.285275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.285275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.285275 (E_RNA)
where:
Base-Base interactions energy: -405.972
where: short stacking energy: -148.349
Base-Backbone interact. energy: -1.677
local terms energy: -156.636692
where:
bonds (distance) C4'-P energy: -34.947
bonds (distance) P-C4' energy: -31.738
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -39.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -506.879888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.879888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.879888 (E_RNA)
where:
Base-Base interactions energy: -331.386
where: short stacking energy: -153.717
Base-Backbone interact. energy: -0.238
local terms energy: -175.256154
where:
bonds (distance) C4'-P energy: -31.219
bonds (distance) P-C4' energy: -33.420
flat angles C4'-P-C4' energy: -38.929
flat angles P-C4'-P energy: -29.008
tors. eta vs tors. theta energy: -42.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -481.476145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.476145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.476145 (E_RNA)
where:
Base-Base interactions energy: -318.163
where: short stacking energy: -141.712
Base-Backbone interact. energy: 0.641
local terms energy: -163.954462
where:
bonds (distance) C4'-P energy: -28.673
bonds (distance) P-C4' energy: -32.593
flat angles C4'-P-C4' energy: -39.179
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -39.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -481.261391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.261391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.261391 (E_RNA)
where:
Base-Base interactions energy: -313.094
where: short stacking energy: -146.088
Base-Backbone interact. energy: -1.087
local terms energy: -167.080257
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -31.548
flat angles C4'-P-C4' energy: -33.052
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -47.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -402.217338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.217338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.217338 (E_RNA)
where:
Base-Base interactions energy: -263.749
where: short stacking energy: -114.225
Base-Backbone interact. energy: 0.186
local terms energy: -138.654381
where:
bonds (distance) C4'-P energy: -36.698
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -32.115
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -26.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -348.542928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.542928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.542928 (E_RNA)
where:
Base-Base interactions energy: -220.924
where: short stacking energy: -94.459
Base-Backbone interact. energy: -1.485
local terms energy: -126.133161
where:
bonds (distance) C4'-P energy: -26.143
bonds (distance) P-C4' energy: -33.094
flat angles C4'-P-C4' energy: -32.762
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -296.094196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.094196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.094196 (E_RNA)
where:
Base-Base interactions energy: -188.016
where: short stacking energy: -93.908
Base-Backbone interact. energy: 3.629
local terms energy: -111.707630
where:
bonds (distance) C4'-P energy: -27.372
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -168.435211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.435211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.435211 (E_RNA)
where:
Base-Base interactions energy: -52.882
where: short stacking energy: -47.808
Base-Backbone interact. energy: -0.014
local terms energy: -115.539310
where:
bonds (distance) C4'-P energy: -27.712
bonds (distance) P-C4' energy: -35.373
flat angles C4'-P-C4' energy: -30.490
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -148.358341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.358341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.358341 (E_RNA)
where:
Base-Base interactions energy: -42.434
where: short stacking energy: -41.245
Base-Backbone interact. energy: -0.189
local terms energy: -105.734602
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -32.927
flat angles C4'-P-C4' energy: -24.653
flat angles P-C4'-P energy: -18.816
tors. eta vs tors. theta energy: 2.037
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: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -145.354082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.354082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.354082 (E_RNA)
where:
Base-Base interactions energy: -54.688
where: short stacking energy: -52.272
Base-Backbone interact. energy: -2.693
local terms energy: -87.972760
where:
bonds (distance) C4'-P energy: -29.345
bonds (distance) P-C4' energy: -26.359
flat angles C4'-P-C4' energy: -24.122
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: 3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -547.098070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.098070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.098070 (E_RNA)
where:
Base-Base interactions energy: -391.157
where: short stacking energy: -142.649
Base-Backbone interact. energy: -0.897
local terms energy: -155.044656
where:
bonds (distance) C4'-P energy: -33.073
bonds (distance) P-C4' energy: -34.872
flat angles C4'-P-C4' energy: -33.715
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -36.332
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: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -502.295433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.295433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.295433 (E_RNA)
where:
Base-Base interactions energy: -341.540
where: short stacking energy: -146.834
Base-Backbone interact. energy: -0.744
local terms energy: -160.010594
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -33.336
flat angles C4'-P-C4' energy: -31.380
flat angles P-C4'-P energy: -23.770
tors. eta vs tors. theta energy: -41.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -495.136061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.136061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.136061 (E_RNA)
where:
Base-Base interactions energy: -336.461
where: short stacking energy: -146.499
Base-Backbone interact. energy: -0.292
local terms energy: -158.383155
where:
bonds (distance) C4'-P energy: -28.137
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -29.142
flat angles P-C4'-P energy: -24.206
tors. eta vs tors. theta energy: -41.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -458.829071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.829071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.829071 (E_RNA)
where:
Base-Base interactions energy: -304.491
where: short stacking energy: -135.164
Base-Backbone interact. energy: -0.693
local terms energy: -153.644842
where:
bonds (distance) C4'-P energy: -31.849
bonds (distance) P-C4' energy: -31.410
flat angles C4'-P-C4' energy: -32.134
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -42.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -421.382124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.382124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.382124 (E_RNA)
where:
Base-Base interactions energy: -297.187
where: short stacking energy: -110.729
Base-Backbone interact. energy: -0.177
local terms energy: -124.509108
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -24.901
flat angles C4'-P-C4' energy: -24.972
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -30.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.491 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -337.957306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.957306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.957306 (E_RNA)
where:
Base-Base interactions energy: -207.274
where: short stacking energy: -103.180
Base-Backbone interact. energy: -0.100
local terms energy: -130.582519
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -34.088
flat angles C4'-P-C4' energy: -22.414
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -290.572465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.572465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.572465 (E_RNA)
where:
Base-Base interactions energy: -175.323
where: short stacking energy: -82.112
Base-Backbone interact. energy: 0.665
local terms energy: -115.914448
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -28.217
flat angles C4'-P-C4' energy: -29.274
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -17.648
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: 43
Temperature: 1.250000
Total energy: -170.912858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.912858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.912858 (E_RNA)
where:
Base-Base interactions energy: -66.758
where: short stacking energy: -58.640
Base-Backbone interact. energy: 1.616
local terms energy: -105.771388
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -35.363
flat angles C4'-P-C4' energy: -25.081
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -163.686294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.686294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.686294 (E_RNA)
where:
Base-Base interactions energy: -59.944
where: short stacking energy: -50.729
Base-Backbone interact. energy: 2.225
local terms energy: -105.967117
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -29.208
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -6.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -156.488800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.488800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.488800 (E_RNA)
where:
Base-Base interactions energy: -59.805
where: short stacking energy: -41.340
Base-Backbone interact. energy: -1.019
local terms energy: -95.665325
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -37.530
flat angles C4'-P-C4' energy: -25.666
flat angles P-C4'-P energy: -15.767
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: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -557.981908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.981908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.981908 (E_RNA)
where:
Base-Base interactions energy: -393.796
where: short stacking energy: -145.253
Base-Backbone interact. energy: -1.720
local terms energy: -162.466091
where:
bonds (distance) C4'-P energy: -35.518
bonds (distance) P-C4' energy: -33.472
flat angles C4'-P-C4' energy: -35.978
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -35.129
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: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -503.678406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.678406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.678406 (E_RNA)
where:
Base-Base interactions energy: -336.728
where: short stacking energy: -140.563
Base-Backbone interact. energy: -0.906
local terms energy: -166.043894
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -38.315
flat angles C4'-P-C4' energy: -35.936
flat angles P-C4'-P energy: -30.097
tors. eta vs tors. theta energy: -30.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -481.916827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.916827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.916827 (E_RNA)
where:
Base-Base interactions energy: -312.865
where: short stacking energy: -143.719
Base-Backbone interact. energy: -0.077
local terms energy: -168.974807
where:
bonds (distance) C4'-P energy: -33.502
bonds (distance) P-C4' energy: -30.689
flat angles C4'-P-C4' energy: -37.181
flat angles P-C4'-P energy: -26.545
tors. eta vs tors. theta energy: -41.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -493.249896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.249896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.249896 (E_RNA)
where:
Base-Base interactions energy: -335.281
where: short stacking energy: -148.929
Base-Backbone interact. energy: -0.260
local terms energy: -157.708764
where:
bonds (distance) C4'-P energy: -31.470
bonds (distance) P-C4' energy: -31.146
flat angles C4'-P-C4' energy: -34.652
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -47.010
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: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -388.641343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.641343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.641343 (E_RNA)
where:
Base-Base interactions energy: -237.115
where: short stacking energy: -109.478
Base-Backbone interact. energy: 0.470
local terms energy: -151.996115
where:
bonds (distance) C4'-P energy: -30.778
bonds (distance) P-C4' energy: -28.603
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -28.811
tors. eta vs tors. theta energy: -28.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -400.033184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.033184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.033184 (E_RNA)
where:
Base-Base interactions energy: -256.699
where: short stacking energy: -117.188
Base-Backbone interact. energy: -0.362
local terms energy: -143.002094
where:
bonds (distance) C4'-P energy: -25.792
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -34.547
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.029 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -186.410749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.410749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.410749 (E_RNA)
where:
Base-Base interactions energy: -71.113
where: short stacking energy: -60.013
Base-Backbone interact. energy: -0.657
local terms energy: -114.641241
where:
bonds (distance) C4'-P energy: -31.856
bonds (distance) P-C4' energy: -27.789
flat angles C4'-P-C4' energy: -32.253
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -6.642
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: 44
Temperature: 1.250000
Total energy: -304.467953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.467953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.467953 (E_RNA)
where:
Base-Base interactions energy: -181.167
where: short stacking energy: -79.229
Base-Backbone interact. energy: 1.058
local terms energy: -124.359313
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -32.447
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -173.114713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.114713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.114713 (E_RNA)
where:
Base-Base interactions energy: -56.845
where: short stacking energy: -54.086
Base-Backbone interact. energy: 0.911
local terms energy: -117.181285
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -32.289
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -21.932
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -139.224409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.224409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.224409 (E_RNA)
where:
Base-Base interactions energy: -44.069
where: short stacking energy: -29.423
Base-Backbone interact. energy: -0.415
local terms energy: -94.740168
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -33.745
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -15.646
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: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -556.644319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.644319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.644319 (E_RNA)
where:
Base-Base interactions energy: -395.191
where: short stacking energy: -142.913
Base-Backbone interact. energy: -0.605
local terms energy: -160.848031
where:
bonds (distance) C4'-P energy: -28.675
bonds (distance) P-C4' energy: -30.850
flat angles C4'-P-C4' energy: -39.631
flat angles P-C4'-P energy: -21.708
tors. eta vs tors. theta energy: -39.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -501.536187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.536187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.536187 (E_RNA)
where:
Base-Base interactions energy: -326.339
where: short stacking energy: -131.247
Base-Backbone interact. energy: -1.634
local terms energy: -173.563231
where:
bonds (distance) C4'-P energy: -34.845
bonds (distance) P-C4' energy: -38.469
flat angles C4'-P-C4' energy: -41.386
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -35.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -500.172025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.172025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.172025 (E_RNA)
where:
Base-Base interactions energy: -329.204
where: short stacking energy: -147.592
Base-Backbone interact. energy: 1.312
local terms energy: -172.280242
where:
bonds (distance) C4'-P energy: -34.207
bonds (distance) P-C4' energy: -34.326
flat angles C4'-P-C4' energy: -32.750
flat angles P-C4'-P energy: -26.544
tors. eta vs tors. theta energy: -44.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -507.364083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.364083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.364083 (E_RNA)
where:
Base-Base interactions energy: -330.076
where: short stacking energy: -146.081
Base-Backbone interact. energy: -0.117
local terms energy: -177.171221
where:
bonds (distance) C4'-P energy: -32.194
bonds (distance) P-C4' energy: -37.066
flat angles C4'-P-C4' energy: -34.450
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -51.036
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: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -377.008886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.008886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.008886 (E_RNA)
where:
Base-Base interactions energy: -230.716
where: short stacking energy: -117.814
Base-Backbone interact. energy: -0.176
local terms energy: -146.117526
where:
bonds (distance) C4'-P energy: -28.259
bonds (distance) P-C4' energy: -33.819
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -31.618
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: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -391.115928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.115928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.115928 (E_RNA)
where:
Base-Base interactions energy: -252.117
where: short stacking energy: -109.751
Base-Backbone interact. energy: -0.120
local terms energy: -138.878447
where:
bonds (distance) C4'-P energy: -31.564
bonds (distance) P-C4' energy: -28.539
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -33.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -197.983302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.983302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.983302 (E_RNA)
where:
Base-Base interactions energy: -90.402
where: short stacking energy: -72.792
Base-Backbone interact. energy: -0.279
local terms energy: -107.302048
where:
bonds (distance) C4'-P energy: -28.893
bonds (distance) P-C4' energy: -27.362
flat angles C4'-P-C4' energy: -26.452
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -287.604066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.604066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.604066 (E_RNA)
where:
Base-Base interactions energy: -182.059
where: short stacking energy: -77.486
Base-Backbone interact. energy: -0.565
local terms energy: -105.737844
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.758 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -148.749549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.749549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.749549 (E_RNA)
where:
Base-Base interactions energy: -57.896
where: short stacking energy: -35.292
Base-Backbone interact. energy: 2.839
local terms energy: -93.692380
where:
bonds (distance) C4'-P energy: -34.789
bonds (distance) P-C4' energy: -33.179
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: 6.597
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: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -151.677526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.677526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.677526 (E_RNA)
where:
Base-Base interactions energy: -55.567
where: short stacking energy: -41.584
Base-Backbone interact. energy: -0.168
local terms energy: -95.942064
where:
bonds (distance) C4'-P energy: -23.918
bonds (distance) P-C4' energy: -31.523
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: 2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -554.466928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.466928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.466928 (E_RNA)
where:
Base-Base interactions energy: -394.651
where: short stacking energy: -145.580
Base-Backbone interact. energy: -1.111
local terms energy: -158.705228
where:
bonds (distance) C4'-P energy: -32.566
bonds (distance) P-C4' energy: -32.570
flat angles C4'-P-C4' energy: -36.246
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -43.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -489.151428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.151428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.151428 (E_RNA)
where:
Base-Base interactions energy: -330.303
where: short stacking energy: -141.606
Base-Backbone interact. energy: 3.818
local terms energy: -162.666221
where:
bonds (distance) C4'-P energy: -35.209
bonds (distance) P-C4' energy: -40.157
flat angles C4'-P-C4' energy: -32.725
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: -33.091
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: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -509.634416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.634416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.634416 (E_RNA)
where:
Base-Base interactions energy: -341.406
where: short stacking energy: -150.352
Base-Backbone interact. energy: -0.542
local terms energy: -167.686173
where:
bonds (distance) C4'-P energy: -29.576
bonds (distance) P-C4' energy: -35.349
flat angles C4'-P-C4' energy: -32.338
flat angles P-C4'-P energy: -26.200
tors. eta vs tors. theta energy: -44.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -449.608144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.608144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.608144 (E_RNA)
where:
Base-Base interactions energy: -288.782
where: short stacking energy: -123.982
Base-Backbone interact. energy: -0.604
local terms energy: -160.222124
where:
bonds (distance) C4'-P energy: -31.676
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -38.999
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -37.619
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: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -429.511664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.511664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.511664 (E_RNA)
where:
Base-Base interactions energy: -283.814
where: short stacking energy: -128.651
Base-Backbone interact. energy: 0.450
local terms energy: -146.147250
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -30.717
flat angles P-C4'-P energy: -17.788
tors. eta vs tors. theta energy: -34.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -372.882107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.882107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.882107 (E_RNA)
where:
Base-Base interactions energy: -247.800
where: short stacking energy: -113.409
Base-Backbone interact. energy: 0.683
local terms energy: -125.764788
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -33.854
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -304.881093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.881093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.881093 (E_RNA)
where:
Base-Base interactions energy: -166.058
where: short stacking energy: -76.927
Base-Backbone interact. energy: 0.514
local terms energy: -139.336958
where:
bonds (distance) C4'-P energy: -31.042
bonds (distance) P-C4' energy: -39.122
flat angles C4'-P-C4' energy: -30.199
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -205.683469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.683469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.683469 (E_RNA)
where:
Base-Base interactions energy: -104.883
where: short stacking energy: -70.720
Base-Backbone interact. energy: -0.818
local terms energy: -99.982567
where:
bonds (distance) C4'-P energy: -28.567
bonds (distance) P-C4' energy: -29.791
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -165.968245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.968245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.968245 (E_RNA)
where:
Base-Base interactions energy: -65.136
where: short stacking energy: -47.466
Base-Backbone interact. energy: -2.169
local terms energy: -98.663060
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -33.507
flat angles C4'-P-C4' energy: -26.892
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -156.873259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.873259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.873259 (E_RNA)
where:
Base-Base interactions energy: -58.008
where: short stacking energy: -49.630
Base-Backbone interact. energy: -0.799
local terms energy: -98.066026
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -27.319
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: 2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -543.864239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.864239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.864239 (E_RNA)
where:
Base-Base interactions energy: -374.164
where: short stacking energy: -152.270
Base-Backbone interact. energy: -0.195
local terms energy: -169.505885
where:
bonds (distance) C4'-P energy: -33.129
bonds (distance) P-C4' energy: -39.380
flat angles C4'-P-C4' energy: -34.505
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -40.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -520.925721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.925721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.925721 (E_RNA)
where:
Base-Base interactions energy: -347.285
where: short stacking energy: -152.163
Base-Backbone interact. energy: -0.043
local terms energy: -173.597588
where:
bonds (distance) C4'-P energy: -37.979
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -24.530
tors. eta vs tors. theta energy: -48.761
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: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -499.980288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.980288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.980288 (E_RNA)
where:
Base-Base interactions energy: -336.531
where: short stacking energy: -148.113
Base-Backbone interact. energy: -0.481
local terms energy: -165.207085
where:
bonds (distance) C4'-P energy: -31.051
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -34.316
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -42.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.238 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -461.162021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.162021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.162021 (E_RNA)
where:
Base-Base interactions energy: -312.926
where: short stacking energy: -134.963
Base-Backbone interact. energy: 2.778
local terms energy: -151.014135
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -31.434
flat angles C4'-P-C4' energy: -31.135
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -32.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -422.065701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.065701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.065701 (E_RNA)
where:
Base-Base interactions energy: -268.213
where: short stacking energy: -120.216
Base-Backbone interact. energy: -0.445
local terms energy: -153.407809
where:
bonds (distance) C4'-P energy: -34.530
bonds (distance) P-C4' energy: -31.149
flat angles C4'-P-C4' energy: -35.344
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -33.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -302.157064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.157064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.157064 (E_RNA)
where:
Base-Base interactions energy: -173.406
where: short stacking energy: -81.887
Base-Backbone interact. energy: -0.583
local terms energy: -128.167898
where:
bonds (distance) C4'-P energy: -31.212
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -330.372952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.372952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.372952 (E_RNA)
where:
Base-Base interactions energy: -198.176
where: short stacking energy: -87.929
Base-Backbone interact. energy: -1.024
local terms energy: -131.173596
where:
bonds (distance) C4'-P energy: -34.291
bonds (distance) P-C4' energy: -31.347
flat angles C4'-P-C4' energy: -29.295
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -187.150930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.150930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.150930 (E_RNA)
where:
Base-Base interactions energy: -65.829
where: short stacking energy: -51.767
Base-Backbone interact. energy: -1.656
local terms energy: -119.666478
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -30.578
flat angles C4'-P-C4' energy: -28.454
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -10.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -163.793159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.793159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.793159 (E_RNA)
where:
Base-Base interactions energy: -81.524
where: short stacking energy: -47.838
Base-Backbone interact. energy: -1.722
local terms energy: -80.546880
where:
bonds (distance) C4'-P energy: -25.362
bonds (distance) P-C4' energy: -28.109
flat angles C4'-P-C4' energy: -25.941
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: 1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -147.448333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.448333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.448333 (E_RNA)
where:
Base-Base interactions energy: -55.607
where: short stacking energy: -41.229
Base-Backbone interact. energy: 2.433
local terms energy: -94.274398
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -30.203
flat angles C4'-P-C4' energy: -26.649
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: 0.212
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: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -552.244550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.244550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.244550 (E_RNA)
where:
Base-Base interactions energy: -388.254
where: short stacking energy: -150.213
Base-Backbone interact. energy: 0.081
local terms energy: -164.071269
where:
bonds (distance) C4'-P energy: -33.121
bonds (distance) P-C4' energy: -35.938
flat angles C4'-P-C4' energy: -31.495
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -43.581
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: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -522.824395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.824395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.824395 (E_RNA)
where:
Base-Base interactions energy: -350.051
where: short stacking energy: -145.667
Base-Backbone interact. energy: -0.307
local terms energy: -172.466510
where:
bonds (distance) C4'-P energy: -32.381
bonds (distance) P-C4' energy: -35.565
flat angles C4'-P-C4' energy: -36.945
flat angles P-C4'-P energy: -18.382
tors. eta vs tors. theta energy: -49.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -472.620739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.620739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.620739 (E_RNA)
where:
Base-Base interactions energy: -312.139
where: short stacking energy: -148.689
Base-Backbone interact. energy: -0.126
local terms energy: -160.356555
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -38.015
flat angles P-C4'-P energy: -23.663
tors. eta vs tors. theta energy: -35.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -486.580902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.580902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.580902 (E_RNA)
where:
Base-Base interactions energy: -321.971
where: short stacking energy: -149.212
Base-Backbone interact. energy: -0.877
local terms energy: -163.733456
where:
bonds (distance) C4'-P energy: -26.348
bonds (distance) P-C4' energy: -36.678
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -27.651
tors. eta vs tors. theta energy: -43.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -416.230066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.230066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.230066 (E_RNA)
where:
Base-Base interactions energy: -266.274
where: short stacking energy: -128.350
Base-Backbone interact. energy: -1.198
local terms energy: -148.757877
where:
bonds (distance) C4'-P energy: -35.115
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -33.530
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -38.609
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: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -332.793980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.793980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.793980 (E_RNA)
where:
Base-Base interactions energy: -209.097
where: short stacking energy: -88.352
Base-Backbone interact. energy: -0.419
local terms energy: -123.277694
where:
bonds (distance) C4'-P energy: -32.483
bonds (distance) P-C4' energy: -29.807
flat angles C4'-P-C4' energy: -36.035
flat angles P-C4'-P energy: -17.603
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: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -309.766086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.766086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.766086 (E_RNA)
where:
Base-Base interactions energy: -176.800
where: short stacking energy: -74.396
Base-Backbone interact. energy: -0.403
local terms energy: -132.563218
where:
bonds (distance) C4'-P energy: -26.204
bonds (distance) P-C4' energy: -36.372
flat angles C4'-P-C4' energy: -35.428
flat angles P-C4'-P energy: -25.799
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -162.888979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.888979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.888979 (E_RNA)
where:
Base-Base interactions energy: -62.598
where: short stacking energy: -27.994
Base-Backbone interact. energy: -0.540
local terms energy: -99.750641
where:
bonds (distance) C4'-P energy: -36.448
bonds (distance) P-C4' energy: -25.568
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: 4.532
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: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -148.926453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.926453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.926453 (E_RNA)
where:
Base-Base interactions energy: -42.250
where: short stacking energy: -40.075
Base-Backbone interact. energy: -1.067
local terms energy: -105.609321
where:
bonds (distance) C4'-P energy: -30.783
bonds (distance) P-C4' energy: -31.939
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -23.780
tors. eta vs tors. theta energy: 2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -142.947638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.947638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.947638 (E_RNA)
where:
Base-Base interactions energy: -51.900
where: short stacking energy: -46.059
Base-Backbone interact. energy: 0.991
local terms energy: -92.039304
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -38.233
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: 5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -520.116935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.116935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.116935 (E_RNA)
where:
Base-Base interactions energy: -361.029
where: short stacking energy: -141.572
Base-Backbone interact. energy: 0.397
local terms energy: -159.485271
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -37.082
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -18.858
tors. eta vs tors. theta energy: -40.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -531.463957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.463957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.463957 (E_RNA)
where:
Base-Base interactions energy: -355.520
where: short stacking energy: -154.230
Base-Backbone interact. energy: 0.144
local terms energy: -176.087857
where:
bonds (distance) C4'-P energy: -31.965
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -37.564
flat angles P-C4'-P energy: -24.942
tors. eta vs tors. theta energy: -47.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -472.043958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.043958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.043958 (E_RNA)
where:
Base-Base interactions energy: -313.751
where: short stacking energy: -138.210
Base-Backbone interact. energy: -1.272
local terms energy: -157.020798
where:
bonds (distance) C4'-P energy: -30.292
bonds (distance) P-C4' energy: -34.518
flat angles C4'-P-C4' energy: -31.153
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -36.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -481.026466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.026466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.026466 (E_RNA)
where:
Base-Base interactions energy: -313.962
where: short stacking energy: -145.877
Base-Backbone interact. energy: -1.435
local terms energy: -165.629008
where:
bonds (distance) C4'-P energy: -33.613
bonds (distance) P-C4' energy: -28.831
flat angles C4'-P-C4' energy: -34.397
flat angles P-C4'-P energy: -28.321
tors. eta vs tors. theta energy: -40.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -411.060391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.060391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.060391 (E_RNA)
where:
Base-Base interactions energy: -255.646
where: short stacking energy: -123.531
Base-Backbone interact. energy: -0.703
local terms energy: -154.710936
where:
bonds (distance) C4'-P energy: -30.888
bonds (distance) P-C4' energy: -28.634
flat angles C4'-P-C4' energy: -34.312
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -36.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -329.161202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.161202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.161202 (E_RNA)
where:
Base-Base interactions energy: -197.776
where: short stacking energy: -85.242
Base-Backbone interact. energy: -0.648
local terms energy: -130.737068
where:
bonds (distance) C4'-P energy: -37.397
bonds (distance) P-C4' energy: -28.296
flat angles C4'-P-C4' energy: -33.696
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -9.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -315.134036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.134036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.134036 (E_RNA)
where:
Base-Base interactions energy: -203.639
where: short stacking energy: -82.986
Base-Backbone interact. energy: 0.656
local terms energy: -112.151569
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -27.482
flat angles C4'-P-C4' energy: -33.598
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -17.691
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: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -195.916119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.916119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.916119 (E_RNA)
where:
Base-Base interactions energy: -75.121
where: short stacking energy: -44.960
Base-Backbone interact. energy: 0.044
local terms energy: -120.839389
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -37.435
flat angles C4'-P-C4' energy: -33.419
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -178.248107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.248107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.248107 (E_RNA)
where:
Base-Base interactions energy: -79.330
where: short stacking energy: -60.311
Base-Backbone interact. energy: -0.384
local terms energy: -98.534456
where:
bonds (distance) C4'-P energy: -31.356
bonds (distance) P-C4' energy: -32.743
flat angles C4'-P-C4' energy: -25.500
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -3.508
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: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -149.677520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.677520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.677520 (E_RNA)
where:
Base-Base interactions energy: -60.371
where: short stacking energy: -36.222
Base-Backbone interact. energy: -0.327
local terms energy: -88.979360
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -27.304
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -16.422
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: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -536.308438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.308438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.308438 (E_RNA)
where:
Base-Base interactions energy: -361.395
where: short stacking energy: -153.038
Base-Backbone interact. energy: -0.951
local terms energy: -173.962052
where:
bonds (distance) C4'-P energy: -34.496
bonds (distance) P-C4' energy: -37.306
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -47.409
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: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -535.076433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.076433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.076433 (E_RNA)
where:
Base-Base interactions energy: -371.002
where: short stacking energy: -142.749
Base-Backbone interact. energy: 0.342
local terms energy: -164.416301
where:
bonds (distance) C4'-P energy: -33.551
bonds (distance) P-C4' energy: -33.684
flat angles C4'-P-C4' energy: -37.572
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -37.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -465.969089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.969089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.969089 (E_RNA)
where:
Base-Base interactions energy: -306.465
where: short stacking energy: -130.169
Base-Backbone interact. energy: -1.282
local terms energy: -158.222049
where:
bonds (distance) C4'-P energy: -29.936
bonds (distance) P-C4' energy: -32.486
flat angles C4'-P-C4' energy: -35.457
flat angles P-C4'-P energy: -25.711
tors. eta vs tors. theta energy: -34.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -466.042679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.042679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.042679 (E_RNA)
where:
Base-Base interactions energy: -309.762
where: short stacking energy: -137.997
Base-Backbone interact. energy: -1.279
local terms energy: -155.001615
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -27.029
flat angles C4'-P-C4' energy: -34.348
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -40.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -349.163513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.163513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.163513 (E_RNA)
where:
Base-Base interactions energy: -213.377
where: short stacking energy: -115.389
Base-Backbone interact. energy: 0.964
local terms energy: -136.750619
where:
bonds (distance) C4'-P energy: -23.136
bonds (distance) P-C4' energy: -33.836
flat angles C4'-P-C4' energy: -29.510
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -26.527
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: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -411.417335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.417335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.417335 (E_RNA)
where:
Base-Base interactions energy: -263.359
where: short stacking energy: -116.591
Base-Backbone interact. energy: -0.925
local terms energy: -147.133910
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -33.429
flat angles P-C4'-P energy: -21.429
tors. eta vs tors. theta energy: -36.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -169.753672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.753672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.753672 (E_RNA)
where:
Base-Base interactions energy: -73.791
where: short stacking energy: -54.699
Base-Backbone interact. energy: 0.022
local terms energy: -95.984793
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -34.634
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -269.591818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.591818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.591818 (E_RNA)
where:
Base-Base interactions energy: -147.131
where: short stacking energy: -63.762
Base-Backbone interact. energy: -0.971
local terms energy: -121.565591
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -31.660
flat angles C4'-P-C4' energy: -28.926
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.076 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -168.524500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.524500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.524500 (E_RNA)
where:
Base-Base interactions energy: -59.497
where: short stacking energy: -36.913
Base-Backbone interact. energy: -0.838
local terms energy: -108.716298
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -35.051
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: 4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.527 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -149.911394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.911394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.911394 (E_RNA)
where:
Base-Base interactions energy: -44.775
where: short stacking energy: -35.099
Base-Backbone interact. energy: -0.233
local terms energy: -104.903436
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -37.281
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: 5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -531.825792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.825792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.825792 (E_RNA)
where:
Base-Base interactions energy: -359.984
where: short stacking energy: -145.876
Base-Backbone interact. energy: -0.314
local terms energy: -171.528466
where:
bonds (distance) C4'-P energy: -35.331
bonds (distance) P-C4' energy: -35.002
flat angles C4'-P-C4' energy: -35.171
flat angles P-C4'-P energy: -23.486
tors. eta vs tors. theta energy: -42.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -542.442056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.442056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.442056 (E_RNA)
where:
Base-Base interactions energy: -387.165
where: short stacking energy: -137.841
Base-Backbone interact. energy: -0.831
local terms energy: -154.445873
where:
bonds (distance) C4'-P energy: -34.034
bonds (distance) P-C4' energy: -30.462
flat angles C4'-P-C4' energy: -31.636
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -35.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -477.579732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.579732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.579732 (E_RNA)
where:
Base-Base interactions energy: -320.692
where: short stacking energy: -134.668
Base-Backbone interact. energy: -1.414
local terms energy: -155.473446
where:
bonds (distance) C4'-P energy: -32.069
bonds (distance) P-C4' energy: -33.832
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -20.733
tors. eta vs tors. theta energy: -32.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -456.508592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.508592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.508592 (E_RNA)
where:
Base-Base interactions energy: -304.869
where: short stacking energy: -132.332
Base-Backbone interact. energy: -0.930
local terms energy: -150.710023
where:
bonds (distance) C4'-P energy: -28.474
bonds (distance) P-C4' energy: -33.833
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -24.156
tors. eta vs tors. theta energy: -35.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -327.650289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.650289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.650289 (E_RNA)
where:
Base-Base interactions energy: -203.200
where: short stacking energy: -89.935
Base-Backbone interact. energy: -0.970
local terms energy: -123.480108
where:
bonds (distance) C4'-P energy: -27.725
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -28.737
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -12.359
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: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -422.398253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.398253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.398253 (E_RNA)
where:
Base-Base interactions energy: -288.724
where: short stacking energy: -112.569
Base-Backbone interact. energy: 0.747
local terms energy: -134.421512
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -16.660
tors. eta vs tors. theta energy: -30.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -226.150292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.150292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.150292 (E_RNA)
where:
Base-Base interactions energy: -118.739
where: short stacking energy: -68.846
Base-Backbone interact. energy: -0.463
local terms energy: -106.947615
where:
bonds (distance) C4'-P energy: -27.742
bonds (distance) P-C4' energy: -28.592
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -16.870
tors. eta vs tors. theta energy: -11.591
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: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -260.874567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.874567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.874567 (E_RNA)
where:
Base-Base interactions energy: -149.627
where: short stacking energy: -80.312
Base-Backbone interact. energy: -0.665
local terms energy: -111.508220
where:
bonds (distance) C4'-P energy: -23.589
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -5.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.926 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -164.447626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.447626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.447626 (E_RNA)
where:
Base-Base interactions energy: -81.605
where: short stacking energy: -32.149
Base-Backbone interact. energy: 2.791
local terms energy: -85.634218
where:
bonds (distance) C4'-P energy: -27.393
bonds (distance) P-C4' energy: -32.883
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: 7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -164.052516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.052516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.052516 (E_RNA)
where:
Base-Base interactions energy: -57.131
where: short stacking energy: -55.902
Base-Backbone interact. energy: 0.786
local terms energy: -107.707617
where:
bonds (distance) C4'-P energy: -26.376
bonds (distance) P-C4' energy: -36.140
flat angles C4'-P-C4' energy: -26.758
flat angles P-C4'-P energy: -17.488
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -562.457543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.457543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.457543 (E_RNA)
where:
Base-Base interactions energy: -396.907
where: short stacking energy: -146.981
Base-Backbone interact. energy: -0.166
local terms energy: -165.384219
where:
bonds (distance) C4'-P energy: -37.663
bonds (distance) P-C4' energy: -30.175
flat angles C4'-P-C4' energy: -35.615
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -41.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -529.894327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.894327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.894327 (E_RNA)
where:
Base-Base interactions energy: -367.712
where: short stacking energy: -158.008
Base-Backbone interact. energy: -0.160
local terms energy: -162.022239
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -34.989
flat angles C4'-P-C4' energy: -34.559
flat angles P-C4'-P energy: -17.301
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: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -479.750393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.750393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.750393 (E_RNA)
where:
Base-Base interactions energy: -312.876
where: short stacking energy: -127.869
Base-Backbone interact. energy: -1.618
local terms energy: -165.257126
where:
bonds (distance) C4'-P energy: -35.139
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -40.232
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -35.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -456.343132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.343132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.343132 (E_RNA)
where:
Base-Base interactions energy: -314.678
where: short stacking energy: -132.291
Base-Backbone interact. energy: 0.069
local terms energy: -141.734665
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -30.233
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -33.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -459.059783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.059783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.059783 (E_RNA)
where:
Base-Base interactions energy: -307.703
where: short stacking energy: -132.771
Base-Backbone interact. energy: -0.370
local terms energy: -151.110188
where:
bonds (distance) C4'-P energy: -29.642
bonds (distance) P-C4' energy: -34.487
flat angles C4'-P-C4' energy: -29.714
flat angles P-C4'-P energy: -21.475
tors. eta vs tors. theta energy: -35.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.123 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -317.005655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.005655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.005655 (E_RNA)
where:
Base-Base interactions energy: -189.010
where: short stacking energy: -100.576
Base-Backbone interact. energy: 1.340
local terms energy: -129.334959
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -27.301
flat angles C4'-P-C4' energy: -29.138
flat angles P-C4'-P energy: -26.040
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -265.463881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.463881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.463881 (E_RNA)
where:
Base-Base interactions energy: -144.476
where: short stacking energy: -82.019
Base-Backbone interact. energy: 0.093
local terms energy: -121.325869
where:
bonds (distance) C4'-P energy: -26.193
bonds (distance) P-C4' energy: -32.959
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.244 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -206.388584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.388584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.388584 (E_RNA)
where:
Base-Base interactions energy: -91.332
where: short stacking energy: -65.254
Base-Backbone interact. energy: -0.703
local terms energy: -114.353490
where:
bonds (distance) C4'-P energy: -28.949
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -31.820
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -168.621868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.621868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.621868 (E_RNA)
where:
Base-Base interactions energy: -61.108
where: short stacking energy: -48.357
Base-Backbone interact. energy: -0.124
local terms energy: -107.989850
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -34.304
flat angles C4'-P-C4' energy: -34.863
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.600 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -169.544639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.544639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.544639 (E_RNA)
where:
Base-Base interactions energy: -56.820
where: short stacking energy: -48.270
Base-Backbone interact. energy: -0.292
local terms energy: -112.432625
where:
bonds (distance) C4'-P energy: -29.068
bonds (distance) P-C4' energy: -29.911
flat angles C4'-P-C4' energy: -28.330
flat angles P-C4'-P energy: -27.099
tors. eta vs tors. theta energy: 1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -558.158859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.158859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.158859 (E_RNA)
where:
Base-Base interactions energy: -380.067
where: short stacking energy: -143.144
Base-Backbone interact. energy: -1.453
local terms energy: -176.638378
where:
bonds (distance) C4'-P energy: -38.109
bonds (distance) P-C4' energy: -38.402
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -45.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -502.722700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.722700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.722700 (E_RNA)
where:
Base-Base interactions energy: -335.775
where: short stacking energy: -145.195
Base-Backbone interact. energy: -0.738
local terms energy: -166.700550
where:
bonds (distance) C4'-P energy: -35.453
bonds (distance) P-C4' energy: -35.602
flat angles C4'-P-C4' energy: -31.881
flat angles P-C4'-P energy: -25.207
tors. eta vs tors. theta energy: -38.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.490 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -502.794774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.794774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.794774 (E_RNA)
where:
Base-Base interactions energy: -338.511
where: short stacking energy: -141.714
Base-Backbone interact. energy: -0.741
local terms energy: -163.542938
where:
bonds (distance) C4'-P energy: -29.576
bonds (distance) P-C4' energy: -36.023
flat angles C4'-P-C4' energy: -35.457
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -41.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -461.055857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.055857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.055857 (E_RNA)
where:
Base-Base interactions energy: -318.947
where: short stacking energy: -136.094
Base-Backbone interact. energy: -0.781
local terms energy: -141.328420
where:
bonds (distance) C4'-P energy: -29.592
bonds (distance) P-C4' energy: -29.635
flat angles C4'-P-C4' energy: -28.305
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -32.388
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: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -436.478144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.478144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.478144 (E_RNA)
where:
Base-Base interactions energy: -276.278
where: short stacking energy: -132.031
Base-Backbone interact. energy: -0.363
local terms energy: -159.837100
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -36.782
flat angles C4'-P-C4' energy: -33.272
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: -39.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -309.464603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.464603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.464603 (E_RNA)
where:
Base-Base interactions energy: -182.285
where: short stacking energy: -90.940
Base-Backbone interact. energy: -0.202
local terms energy: -126.976952
where:
bonds (distance) C4'-P energy: -28.454
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -21.925
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -25.760
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: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -282.988657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.988657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.988657 (E_RNA)
where:
Base-Base interactions energy: -168.063
where: short stacking energy: -82.623
Base-Backbone interact. energy: -0.712
local terms energy: -114.213804
where:
bonds (distance) C4'-P energy: -25.674
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -31.700
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -184.103307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.103307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.103307 (E_RNA)
where:
Base-Base interactions energy: -72.966
where: short stacking energy: -55.046
Base-Backbone interact. energy: -0.395
local terms energy: -110.741937
where:
bonds (distance) C4'-P energy: -34.740
bonds (distance) P-C4' energy: -26.796
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -176.732361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.732361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.732361 (E_RNA)
where:
Base-Base interactions energy: -61.823
where: short stacking energy: -36.236
Base-Backbone interact. energy: 0.497
local terms energy: -115.406593
where:
bonds (distance) C4'-P energy: -35.575
bonds (distance) P-C4' energy: -32.000
flat angles C4'-P-C4' energy: -26.748
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -140.917305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.917305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.917305 (E_RNA)
where:
Base-Base interactions energy: -48.964
where: short stacking energy: -39.151
Base-Backbone interact. energy: -0.287
local terms energy: -91.666313
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -33.088
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: 5.343
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: 6
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -555.556546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.556546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.556546 (E_RNA)
where:
Base-Base interactions energy: -389.981
where: short stacking energy: -151.563
Base-Backbone interact. energy: 0.053
local terms energy: -165.628534
where:
bonds (distance) C4'-P energy: -28.488
bonds (distance) P-C4' energy: -37.671
flat angles C4'-P-C4' energy: -31.479
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -43.032
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: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -492.982757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.982757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.982757 (E_RNA)
where:
Base-Base interactions energy: -317.221
where: short stacking energy: -137.641
Base-Backbone interact. energy: 0.129
local terms energy: -175.891311
where:
bonds (distance) C4'-P energy: -37.968
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -35.918
flat angles P-C4'-P energy: -30.820
tors. eta vs tors. theta energy: -32.632
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: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -513.044857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.044857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.044857 (E_RNA)
where:
Base-Base interactions energy: -358.313
where: short stacking energy: -141.767
Base-Backbone interact. energy: -0.868
local terms energy: -153.864027
where:
bonds (distance) C4'-P energy: -30.222
bonds (distance) P-C4' energy: -33.541
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -43.863
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: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -449.621641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.621641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.621641 (E_RNA)
where:
Base-Base interactions energy: -296.225
where: short stacking energy: -128.455
Base-Backbone interact. energy: -0.707
local terms energy: -152.689694
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -35.630
flat angles C4'-P-C4' energy: -36.919
flat angles P-C4'-P energy: -25.246
tors. eta vs tors. theta energy: -29.786
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: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -466.275122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.275122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.275122 (E_RNA)
where:
Base-Base interactions energy: -304.465
where: short stacking energy: -148.729
Base-Backbone interact. energy: -0.187
local terms energy: -161.623640
where:
bonds (distance) C4'-P energy: -32.376
bonds (distance) P-C4' energy: -33.223
flat angles C4'-P-C4' energy: -33.809
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -40.551
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: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -340.860586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.860586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.860586 (E_RNA)
where:
Base-Base interactions energy: -201.354
where: short stacking energy: -96.678
Base-Backbone interact. energy: 0.629
local terms energy: -140.268108
where:
bonds (distance) C4'-P energy: -23.425
bonds (distance) P-C4' energy: -35.828
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -22.445
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.132 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -287.412822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.412822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.412822 (E_RNA)
where:
Base-Base interactions energy: -170.838
where: short stacking energy: -86.879
Base-Backbone interact. energy: -0.829
local terms energy: -115.745863
where:
bonds (distance) C4'-P energy: -24.770
bonds (distance) P-C4' energy: -33.724
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -167.682290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.682290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.682290 (E_RNA)
where:
Base-Base interactions energy: -81.811
where: short stacking energy: -59.902
Base-Backbone interact. energy: 3.023
local terms energy: -88.893931
where:
bonds (distance) C4'-P energy: -25.818
bonds (distance) P-C4' energy: -37.018
flat angles C4'-P-C4' energy: -22.306
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: 4.368
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: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -163.010765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.010765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.010765 (E_RNA)
where:
Base-Base interactions energy: -51.608
where: short stacking energy: -43.288
Base-Backbone interact. energy: -2.695
local terms energy: -108.707201
where:
bonds (distance) C4'-P energy: -36.623
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -27.882
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: 2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -157.733662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.733662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.733662 (E_RNA)
where:
Base-Base interactions energy: -69.593
where: short stacking energy: -42.002
Base-Backbone interact. energy: -1.195
local terms energy: -86.945777
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -32.980
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: 6.193
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: 1, replica: 6
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -553.623761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.623761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.623761 (E_RNA)
where:
Base-Base interactions energy: -389.239
where: short stacking energy: -150.320
Base-Backbone interact. energy: 1.392
local terms energy: -165.777088
where:
bonds (distance) C4'-P energy: -30.258
bonds (distance) P-C4' energy: -34.555
flat angles C4'-P-C4' energy: -37.432
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -44.239
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: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -518.608142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.608142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.608142 (E_RNA)
where:
Base-Base interactions energy: -342.273
where: short stacking energy: -156.676
Base-Backbone interact. energy: -0.207
local terms energy: -176.128323
where:
bonds (distance) C4'-P energy: -27.073
bonds (distance) P-C4' energy: -32.820
flat angles C4'-P-C4' energy: -38.433
flat angles P-C4'-P energy: -27.194
tors. eta vs tors. theta energy: -50.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -499.386369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.386369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.386369 (E_RNA)
where:
Base-Base interactions energy: -332.942
where: short stacking energy: -139.906
Base-Backbone interact. energy: -1.552
local terms energy: -164.892486
where:
bonds (distance) C4'-P energy: -28.917
bonds (distance) P-C4' energy: -32.377
flat angles C4'-P-C4' energy: -35.372
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -45.248
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: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -440.547422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.547422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.547422 (E_RNA)
where:
Base-Base interactions energy: -295.922
where: short stacking energy: -111.857
Base-Backbone interact. energy: -0.609
local terms energy: -144.016383
where:
bonds (distance) C4'-P energy: -29.109
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -30.797
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -31.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -427.993470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.993470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.993470 (E_RNA)
where:
Base-Base interactions energy: -265.198
where: short stacking energy: -123.345
Base-Backbone interact. energy: 0.639
local terms energy: -163.433888
where:
bonds (distance) C4'-P energy: -35.917
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -34.780
flat angles P-C4'-P energy: -26.059
tors. eta vs tors. theta energy: -35.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -363.363727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.363727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.363727 (E_RNA)
where:
Base-Base interactions energy: -229.184
where: short stacking energy: -118.165
Base-Backbone interact. energy: -0.505
local terms energy: -133.674158
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -37.361
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -24.152
tors. eta vs tors. theta energy: -23.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -278.955936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.955936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.955936 (E_RNA)
where:
Base-Base interactions energy: -167.555
where: short stacking energy: -77.585
Base-Backbone interact. energy: 2.540
local terms energy: -113.941186
where:
bonds (distance) C4'-P energy: -29.842
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -25.717
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -188.194972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.194972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.194972 (E_RNA)
where:
Base-Base interactions energy: -72.887
where: short stacking energy: -64.633
Base-Backbone interact. energy: -1.805
local terms energy: -114.110777
where:
bonds (distance) C4'-P energy: -29.176
bonds (distance) P-C4' energy: -31.291
flat angles C4'-P-C4' energy: -29.144
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.607 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -161.690382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.690382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.690382 (E_RNA)
where:
Base-Base interactions energy: -55.079
where: short stacking energy: -47.462
Base-Backbone interact. energy: -0.557
local terms energy: -106.738321
where:
bonds (distance) C4'-P energy: -30.525
bonds (distance) P-C4' energy: -36.144
flat angles C4'-P-C4' energy: -29.519
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: 0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.684 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -153.351210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.351210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.351210 (E_RNA)
where:
Base-Base interactions energy: -64.821
where: short stacking energy: -46.720
Base-Backbone interact. energy: -1.166
local terms energy: -87.363983
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -33.753
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: 3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -551.436247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.436247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.436247 (E_RNA)
where:
Base-Base interactions energy: -392.469
where: short stacking energy: -141.706
Base-Backbone interact. energy: -0.334
local terms energy: -158.632619
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -36.043
flat angles C4'-P-C4' energy: -28.391
flat angles P-C4'-P energy: -19.985
tors. eta vs tors. theta energy: -39.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -509.928983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.928983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.928983 (E_RNA)
where:
Base-Base interactions energy: -341.196
where: short stacking energy: -144.167
Base-Backbone interact. energy: 1.572
local terms energy: -170.305621
where:
bonds (distance) C4'-P energy: -25.747
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -27.021
tors. eta vs tors. theta energy: -47.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -520.227996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.227996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.227996 (E_RNA)
where:
Base-Base interactions energy: -350.010
where: short stacking energy: -162.246
Base-Backbone interact. energy: -0.580
local terms energy: -169.637303
where:
bonds (distance) C4'-P energy: -27.710
bonds (distance) P-C4' energy: -34.422
flat angles C4'-P-C4' energy: -37.600
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -46.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -431.580327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.580327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.580327 (E_RNA)
where:
Base-Base interactions energy: -280.412
where: short stacking energy: -113.291
Base-Backbone interact. energy: -0.219
local terms energy: -150.948452
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -32.452
flat angles C4'-P-C4' energy: -36.448
flat angles P-C4'-P energy: -22.991
tors. eta vs tors. theta energy: -26.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -428.629504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.629504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.629504 (E_RNA)
where:
Base-Base interactions energy: -278.689
where: short stacking energy: -146.356
Base-Backbone interact. energy: 0.210
local terms energy: -150.150226
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -36.633
flat angles C4'-P-C4' energy: -41.684
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -38.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -338.240799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.240799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.240799 (E_RNA)
where:
Base-Base interactions energy: -203.614
where: short stacking energy: -112.450
Base-Backbone interact. energy: -0.608
local terms energy: -135.442823
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -32.220
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -22.449
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: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -277.110404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.110404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.110404 (E_RNA)
where:
Base-Base interactions energy: -140.724
where: short stacking energy: -76.593
Base-Backbone interact. energy: -0.373
local terms energy: -136.013680
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -22.195
flat angles P-C4'-P energy: -20.829
tors. eta vs tors. theta energy: -24.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -164.235854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.235854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.235854 (E_RNA)
where:
Base-Base interactions energy: -60.285
where: short stacking energy: -53.789
Base-Backbone interact. energy: 1.299
local terms energy: -105.249827
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -29.981
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -0.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -164.023407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.023407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.023407 (E_RNA)
where:
Base-Base interactions energy: -62.898
where: short stacking energy: -45.037
Base-Backbone interact. energy: 1.788
local terms energy: -102.913429
where:
bonds (distance) C4'-P energy: -23.805
bonds (distance) P-C4' energy: -34.720
flat angles C4'-P-C4' energy: -27.698
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -0.309
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: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -137.717761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.717761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.717761 (E_RNA)
where:
Base-Base interactions energy: -45.206
where: short stacking energy: -34.315
Base-Backbone interact. energy: 0.119
local terms energy: -92.693378
where:
bonds (distance) C4'-P energy: -26.236
bonds (distance) P-C4' energy: -30.349
flat angles C4'-P-C4' energy: -25.857
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: 5.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -555.040028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.040028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.040028 (E_RNA)
where:
Base-Base interactions energy: -391.218
where: short stacking energy: -155.025
Base-Backbone interact. energy: -1.180
local terms energy: -162.641980
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -33.038
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -41.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -516.716224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.716224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.716224 (E_RNA)
where:
Base-Base interactions energy: -335.607
where: short stacking energy: -151.606
Base-Backbone interact. energy: 0.112
local terms energy: -181.221214
where:
bonds (distance) C4'-P energy: -34.586
bonds (distance) P-C4' energy: -33.835
flat angles C4'-P-C4' energy: -36.264
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -48.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -493.998157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.998157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.998157 (E_RNA)
where:
Base-Base interactions energy: -319.104
where: short stacking energy: -145.152
Base-Backbone interact. energy: -0.381
local terms energy: -174.772194
where:
bonds (distance) C4'-P energy: -35.450
bonds (distance) P-C4' energy: -34.021
flat angles C4'-P-C4' energy: -36.552
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -43.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.259 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -439.060812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.060812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.060812 (E_RNA)
where:
Base-Base interactions energy: -286.024
where: short stacking energy: -133.768
Base-Backbone interact. energy: -0.435
local terms energy: -152.601810
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -29.835
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -34.454
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: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -428.239189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.239189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.239189 (E_RNA)
where:
Base-Base interactions energy: -285.489
where: short stacking energy: -105.009
Base-Backbone interact. energy: -0.237
local terms energy: -142.513512
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -35.096
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -26.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -342.628418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.628418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.628418 (E_RNA)
where:
Base-Base interactions energy: -211.098
where: short stacking energy: -105.300
Base-Backbone interact. energy: -0.944
local terms energy: -130.587321
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -18.782
tors. eta vs tors. theta energy: -28.525
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: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -288.840772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.840772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.840772 (E_RNA)
where:
Base-Base interactions energy: -152.424
where: short stacking energy: -72.878
Base-Backbone interact. energy: 0.438
local terms energy: -137.433085
where:
bonds (distance) C4'-P energy: -32.050
bonds (distance) P-C4' energy: -33.580
flat angles C4'-P-C4' energy: -33.978
flat angles P-C4'-P energy: -20.664
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.579 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -173.118287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.118287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.118287 (E_RNA)
where:
Base-Base interactions energy: -62.680
where: short stacking energy: -34.943
Base-Backbone interact. energy: -1.270
local terms energy: -109.168122
where:
bonds (distance) C4'-P energy: -27.406
bonds (distance) P-C4' energy: -32.974
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -158.869548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.869548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.869548 (E_RNA)
where:
Base-Base interactions energy: -52.901
where: short stacking energy: -42.910
Base-Backbone interact. energy: -1.599
local terms energy: -104.370392
where:
bonds (distance) C4'-P energy: -27.538
bonds (distance) P-C4' energy: -31.682
flat angles C4'-P-C4' energy: -33.204
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: 1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -156.730465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.730465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.730465 (E_RNA)
where:
Base-Base interactions energy: -60.622
where: short stacking energy: -44.206
Base-Backbone interact. energy: 1.525
local terms energy: -97.633668
where:
bonds (distance) C4'-P energy: -25.306
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -27.455
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -3.048
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: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -554.358891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.358891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.358891 (E_RNA)
where:
Base-Base interactions energy: -371.204
where: short stacking energy: -142.044
Base-Backbone interact. energy: -1.121
local terms energy: -182.033964
where:
bonds (distance) C4'-P energy: -36.320
bonds (distance) P-C4' energy: -40.206
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -27.933
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: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -541.635689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.635689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.635689 (E_RNA)
where:
Base-Base interactions energy: -370.206
where: short stacking energy: -157.833
Base-Backbone interact. energy: -0.893
local terms energy: -170.536873
where:
bonds (distance) C4'-P energy: -34.057
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -48.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -499.096757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.096757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.096757 (E_RNA)
where:
Base-Base interactions energy: -346.406
where: short stacking energy: -153.165
Base-Backbone interact. energy: -0.491
local terms energy: -152.199505
where:
bonds (distance) C4'-P energy: -31.263
bonds (distance) P-C4' energy: -35.011
flat angles C4'-P-C4' energy: -34.604
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -36.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -466.852591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.852591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.852591 (E_RNA)
where:
Base-Base interactions energy: -308.289
where: short stacking energy: -133.030
Base-Backbone interact. energy: -1.215
local terms energy: -157.348991
where:
bonds (distance) C4'-P energy: -30.021
bonds (distance) P-C4' energy: -30.708
flat angles C4'-P-C4' energy: -35.647
flat angles P-C4'-P energy: -21.452
tors. eta vs tors. theta energy: -39.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -436.698353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.698353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.698353 (E_RNA)
where:
Base-Base interactions energy: -288.240
where: short stacking energy: -115.193
Base-Backbone interact. energy: -0.144
local terms energy: -148.314272
where:
bonds (distance) C4'-P energy: -31.208
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -34.166
flat angles P-C4'-P energy: -21.516
tors. eta vs tors. theta energy: -31.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -333.667180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.667180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.667180 (E_RNA)
where:
Base-Base interactions energy: -206.660
where: short stacking energy: -89.339
Base-Backbone interact. energy: -1.039
local terms energy: -125.968085
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -28.621
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -29.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -312.640287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.640287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.640287 (E_RNA)
where:
Base-Base interactions energy: -192.830
where: short stacking energy: -90.117
Base-Backbone interact. energy: 0.460
local terms energy: -120.270691
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -30.275
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -162.299841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.299841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.299841 (E_RNA)
where:
Base-Base interactions energy: -56.323
where: short stacking energy: -53.545
Base-Backbone interact. energy: -1.101
local terms energy: -104.875398
where:
bonds (distance) C4'-P energy: -31.191
bonds (distance) P-C4' energy: -27.052
flat angles C4'-P-C4' energy: -25.195
flat angles P-C4'-P energy: -24.180
tors. eta vs tors. theta energy: 2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -157.314016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.314016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.314016 (E_RNA)
where:
Base-Base interactions energy: -51.670
where: short stacking energy: -47.251
Base-Backbone interact. energy: -0.557
local terms energy: -105.087397
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -21.480
tors. eta vs tors. theta energy: -7.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -163.894643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.894643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.894643 (E_RNA)
where:
Base-Base interactions energy: -64.601
where: short stacking energy: -49.499
Base-Backbone interact. energy: -0.608
local terms energy: -98.720252
where:
bonds (distance) C4'-P energy: -22.436
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.034 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -546.336608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.336608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.336608 (E_RNA)
where:
Base-Base interactions energy: -388.844
where: short stacking energy: -149.748
Base-Backbone interact. energy: 0.420
local terms energy: -157.912298
where:
bonds (distance) C4'-P energy: -32.902
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -29.316
flat angles P-C4'-P energy: -24.541
tors. eta vs tors. theta energy: -40.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -534.420942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.420942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.420942 (E_RNA)
where:
Base-Base interactions energy: -367.018
where: short stacking energy: -165.143
Base-Backbone interact. energy: -0.790
local terms energy: -166.613027
where:
bonds (distance) C4'-P energy: -32.647
bonds (distance) P-C4' energy: -29.012
flat angles C4'-P-C4' energy: -39.181
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -43.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -480.599971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.599971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.599971 (E_RNA)
where:
Base-Base interactions energy: -326.770
where: short stacking energy: -136.328
Base-Backbone interact. energy: 1.092
local terms energy: -154.922342
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -35.116
flat angles C4'-P-C4' energy: -33.280
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -34.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -475.585440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.585440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.585440 (E_RNA)
where:
Base-Base interactions energy: -312.221
where: short stacking energy: -140.248
Base-Backbone interact. energy: -1.021
local terms energy: -162.343525
where:
bonds (distance) C4'-P energy: -32.536
bonds (distance) P-C4' energy: -31.031
flat angles C4'-P-C4' energy: -34.736
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -41.930
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: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -418.935300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.935300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.935300 (E_RNA)
where:
Base-Base interactions energy: -282.678
where: short stacking energy: -109.779
Base-Backbone interact. energy: -0.305
local terms energy: -135.952416
where:
bonds (distance) C4'-P energy: -25.863
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -29.370
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -25.010
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: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -383.219617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.219617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.219617 (E_RNA)
where:
Base-Base interactions energy: -240.020
where: short stacking energy: -107.980
Base-Backbone interact. energy: -0.645
local terms energy: -142.554285
where:
bonds (distance) C4'-P energy: -28.277
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -35.308
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: -27.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -321.167119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.167119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.167119 (E_RNA)
where:
Base-Base interactions energy: -205.948
where: short stacking energy: -99.007
Base-Backbone interact. energy: 0.988
local terms energy: -116.207137
where:
bonds (distance) C4'-P energy: -28.401
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -31.592
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -200.604897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.604897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.604897 (E_RNA)
where:
Base-Base interactions energy: -89.784
where: short stacking energy: -54.720
Base-Backbone interact. energy: 0.423
local terms energy: -111.243834
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -27.578
flat angles C4'-P-C4' energy: -36.505
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -145.982579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.982579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.982579 (E_RNA)
where:
Base-Base interactions energy: -48.345
where: short stacking energy: -37.418
Base-Backbone interact. energy: -0.977
local terms energy: -96.660304
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -35.282
flat angles C4'-P-C4' energy: -29.609
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: 4.390
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: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -168.853945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.853945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.853945 (E_RNA)
where:
Base-Base interactions energy: -85.361
where: short stacking energy: -55.543
Base-Backbone interact. energy: 0.670
local terms energy: -84.162742
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -26.733
flat angles C4'-P-C4' energy: -25.779
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -6.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -562.596186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.596186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.596186 (E_RNA)
where:
Base-Base interactions energy: -404.456
where: short stacking energy: -157.646
Base-Backbone interact. energy: -0.984
local terms energy: -157.155829
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -34.758
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -43.265
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: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -567.101416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.101416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.101416 (E_RNA)
where:
Base-Base interactions energy: -388.686
where: short stacking energy: -153.138
Base-Backbone interact. energy: -1.506
local terms energy: -176.909061
where:
bonds (distance) C4'-P energy: -34.320
bonds (distance) P-C4' energy: -34.238
flat angles C4'-P-C4' energy: -35.774
flat angles P-C4'-P energy: -28.337
tors. eta vs tors. theta energy: -44.239
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: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -472.979610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.979610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.979610 (E_RNA)
where:
Base-Base interactions energy: -317.552
where: short stacking energy: -126.268
Base-Backbone interact. energy: -0.866
local terms energy: -154.561562
where:
bonds (distance) C4'-P energy: -28.633
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -34.597
flat angles P-C4'-P energy: -18.782
tors. eta vs tors. theta energy: -35.781
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: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -475.804907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.804907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.804907 (E_RNA)
where:
Base-Base interactions energy: -320.560
where: short stacking energy: -133.739
Base-Backbone interact. energy: -0.879
local terms energy: -154.366507
where:
bonds (distance) C4'-P energy: -34.758
bonds (distance) P-C4' energy: -31.618
flat angles C4'-P-C4' energy: -35.348
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -27.289
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: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -432.602676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.602676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.602676 (E_RNA)
where:
Base-Base interactions energy: -294.326
where: short stacking energy: -115.232
Base-Backbone interact. energy: -0.363
local terms energy: -137.912825
where:
bonds (distance) C4'-P energy: -32.384
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -20.430
tors. eta vs tors. theta energy: -23.577
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: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -345.665696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.665696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.665696 (E_RNA)
where:
Base-Base interactions energy: -203.352
where: short stacking energy: -97.439
Base-Backbone interact. energy: -1.206
local terms energy: -141.107798
where:
bonds (distance) C4'-P energy: -31.783
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -282.545213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.545213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.545213 (E_RNA)
where:
Base-Base interactions energy: -158.829
where: short stacking energy: -77.844
Base-Backbone interact. energy: 0.014
local terms energy: -123.730850
where:
bonds (distance) C4'-P energy: -29.385
bonds (distance) P-C4' energy: -29.222
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -20.065
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -282.727660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.727660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.727660 (E_RNA)
where:
Base-Base interactions energy: -171.275
where: short stacking energy: -88.577
Base-Backbone interact. energy: -1.645
local terms energy: -109.807677
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -28.732
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -152.127880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.127880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.127880 (E_RNA)
where:
Base-Base interactions energy: -50.179
where: short stacking energy: -33.976
Base-Backbone interact. energy: -0.021
local terms energy: -101.927572
where:
bonds (distance) C4'-P energy: -27.558
bonds (distance) P-C4' energy: -30.439
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -153.307566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.307566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.307566 (E_RNA)
where:
Base-Base interactions energy: -52.832
where: short stacking energy: -33.707
Base-Backbone interact. energy: -0.104
local terms energy: -100.370785
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -35.313
flat angles P-C4'-P energy: -17.769
tors. eta vs tors. theta energy: 2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -560.250008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.250008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.250008 (E_RNA)
where:
Base-Base interactions energy: -394.833
where: short stacking energy: -142.504
Base-Backbone interact. energy: -1.643
local terms energy: -163.773377
where:
bonds (distance) C4'-P energy: -38.569
bonds (distance) P-C4' energy: -33.623
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -38.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -558.310894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.310894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.310894 (E_RNA)
where:
Base-Base interactions energy: -398.045
where: short stacking energy: -157.085
Base-Backbone interact. energy: 0.658
local terms energy: -160.924454
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -27.807
flat angles C4'-P-C4' energy: -39.260
flat angles P-C4'-P energy: -22.126
tors. eta vs tors. theta energy: -45.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -476.589132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.589132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.589132 (E_RNA)
where:
Base-Base interactions energy: -316.806
where: short stacking energy: -139.299
Base-Backbone interact. energy: -0.702
local terms energy: -159.081347
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -27.697
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: -46.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -471.918355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.918355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.918355 (E_RNA)
where:
Base-Base interactions energy: -315.354
where: short stacking energy: -140.591
Base-Backbone interact. energy: 1.119
local terms energy: -157.683952
where:
bonds (distance) C4'-P energy: -31.171
bonds (distance) P-C4' energy: -32.442
flat angles C4'-P-C4' energy: -31.573
flat angles P-C4'-P energy: -25.197
tors. eta vs tors. theta energy: -37.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -458.329914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.329914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.329914 (E_RNA)
where:
Base-Base interactions energy: -303.418
where: short stacking energy: -131.043
Base-Backbone interact. energy: -0.934
local terms energy: -153.977937
where:
bonds (distance) C4'-P energy: -26.059
bonds (distance) P-C4' energy: -37.094
flat angles C4'-P-C4' energy: -30.528
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -32.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -376.848829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.848829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.848829 (E_RNA)
where:
Base-Base interactions energy: -234.644
where: short stacking energy: -90.984
Base-Backbone interact. energy: -0.698
local terms energy: -141.507290
where:
bonds (distance) C4'-P energy: -29.081
bonds (distance) P-C4' energy: -34.219
flat angles C4'-P-C4' energy: -32.105
flat angles P-C4'-P energy: -27.276
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -277.258428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.258428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.258428 (E_RNA)
where:
Base-Base interactions energy: -150.988
where: short stacking energy: -81.075
Base-Backbone interact. energy: -0.013
local terms energy: -126.257246
where:
bonds (distance) C4'-P energy: -28.619
bonds (distance) P-C4' energy: -35.336
flat angles C4'-P-C4' energy: -25.969
flat angles P-C4'-P energy: -20.976
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -342.813004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.813004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.813004 (E_RNA)
where:
Base-Base interactions energy: -212.250
where: short stacking energy: -88.384
Base-Backbone interact. energy: -0.685
local terms energy: -129.877565
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -29.069
flat angles C4'-P-C4' energy: -31.901
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -186.990598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.990598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.990598 (E_RNA)
where:
Base-Base interactions energy: -80.446
where: short stacking energy: -47.461
Base-Backbone interact. energy: -0.172
local terms energy: -106.373276
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -32.743
flat angles C4'-P-C4' energy: -28.686
flat angles P-C4'-P energy: -20.922
tors. eta vs tors. theta energy: 1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -144.132607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.132607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.132607 (E_RNA)
where:
Base-Base interactions energy: -68.748
where: short stacking energy: -44.728
Base-Backbone interact. energy: -0.290
local terms energy: -77.658700
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: 6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.565 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -540.643615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.643615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.643615 (E_RNA)
where:
Base-Base interactions energy: -377.736
where: short stacking energy: -154.281
Base-Backbone interact. energy: -0.805
local terms energy: -162.102786
where:
bonds (distance) C4'-P energy: -31.133
bonds (distance) P-C4' energy: -35.508
flat angles C4'-P-C4' energy: -35.022
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -40.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -539.128462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.128462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.128462 (E_RNA)
where:
Base-Base interactions energy: -373.133
where: short stacking energy: -147.159
Base-Backbone interact. energy: -0.595
local terms energy: -165.400110
where:
bonds (distance) C4'-P energy: -26.433
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -33.656
flat angles P-C4'-P energy: -25.039
tors. eta vs tors. theta energy: -42.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -475.737245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.737245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.737245 (E_RNA)
where:
Base-Base interactions energy: -333.056
where: short stacking energy: -146.585
Base-Backbone interact. energy: -0.359
local terms energy: -142.322295
where:
bonds (distance) C4'-P energy: -27.528
bonds (distance) P-C4' energy: -36.429
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -40.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -461.696733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.696733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.696733 (E_RNA)
where:
Base-Base interactions energy: -295.006
where: short stacking energy: -137.184
Base-Backbone interact. energy: -0.596
local terms energy: -166.094734
where:
bonds (distance) C4'-P energy: -33.597
bonds (distance) P-C4' energy: -29.232
flat angles C4'-P-C4' energy: -34.921
flat angles P-C4'-P energy: -31.616
tors. eta vs tors. theta energy: -36.729
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: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -477.436723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.436723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.436723 (E_RNA)
where:
Base-Base interactions energy: -319.985
where: short stacking energy: -142.477
Base-Backbone interact. energy: -0.241
local terms energy: -157.211233
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -33.144
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -39.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -371.086394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.086394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.086394 (E_RNA)
where:
Base-Base interactions energy: -227.535
where: short stacking energy: -113.497
Base-Backbone interact. energy: -0.005
local terms energy: -143.546108
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -23.657
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -27.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -376.155334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.155334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.155334 (E_RNA)
where:
Base-Base interactions energy: -242.089
where: short stacking energy: -102.456
Base-Backbone interact. energy: 0.640
local terms energy: -134.707083
where:
bonds (distance) C4'-P energy: -34.369
bonds (distance) P-C4' energy: -30.884
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -15.856
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -276.392491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.392491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.392491 (E_RNA)
where:
Base-Base interactions energy: -147.718
where: short stacking energy: -57.371
Base-Backbone interact. energy: -1.398
local terms energy: -127.276552
where:
bonds (distance) C4'-P energy: -27.025
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -35.356
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -15.608
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: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -181.190189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.190189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.190189 (E_RNA)
where:
Base-Base interactions energy: -83.564
where: short stacking energy: -54.968
Base-Backbone interact. energy: 2.291
local terms energy: -99.916601
where:
bonds (distance) C4'-P energy: -26.297
bonds (distance) P-C4' energy: -27.884
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -6.253
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: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -146.393434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.393434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.393434 (E_RNA)
where:
Base-Base interactions energy: -44.926
where: short stacking energy: -41.050
Base-Backbone interact. energy: -1.813
local terms energy: -99.654777
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: 4.401
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: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -549.237629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.237629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.237629 (E_RNA)
where:
Base-Base interactions energy: -385.898
where: short stacking energy: -153.526
Base-Backbone interact. energy: -0.816
local terms energy: -162.524049
where:
bonds (distance) C4'-P energy: -28.663
bonds (distance) P-C4' energy: -35.821
flat angles C4'-P-C4' energy: -29.938
flat angles P-C4'-P energy: -26.697
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: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -537.842191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.842191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.842191 (E_RNA)
where:
Base-Base interactions energy: -366.626
where: short stacking energy: -152.384
Base-Backbone interact. energy: -0.878
local terms energy: -170.337473
where:
bonds (distance) C4'-P energy: -33.744
bonds (distance) P-C4' energy: -30.723
flat angles C4'-P-C4' energy: -40.919
flat angles P-C4'-P energy: -24.840
tors. eta vs tors. theta energy: -40.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -484.383162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.383162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.383162 (E_RNA)
where:
Base-Base interactions energy: -326.917
where: short stacking energy: -141.867
Base-Backbone interact. energy: -0.588
local terms energy: -156.878274
where:
bonds (distance) C4'-P energy: -32.647
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -38.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -486.979127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.979127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.979127 (E_RNA)
where:
Base-Base interactions energy: -319.266
where: short stacking energy: -135.137
Base-Backbone interact. energy: 1.713
local terms energy: -169.425490
where:
bonds (distance) C4'-P energy: -35.906
bonds (distance) P-C4' energy: -37.515
flat angles C4'-P-C4' energy: -36.273
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -35.924
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: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -451.952821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.952821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.952821 (E_RNA)
where:
Base-Base interactions energy: -302.209
where: short stacking energy: -126.732
Base-Backbone interact. energy: 0.702
local terms energy: -150.445010
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -35.512
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -32.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -362.968833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.968833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.968833 (E_RNA)
where:
Base-Base interactions energy: -231.670
where: short stacking energy: -108.899
Base-Backbone interact. energy: -0.760
local terms energy: -130.538867
where:
bonds (distance) C4'-P energy: -26.155
bonds (distance) P-C4' energy: -27.396
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -28.075
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: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -357.507097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.507097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.507097 (E_RNA)
where:
Base-Base interactions energy: -240.470
where: short stacking energy: -98.747
Base-Backbone interact. energy: 0.776
local terms energy: -119.359124
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -25.581
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.546 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -273.050820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.050820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.050820 (E_RNA)
where:
Base-Base interactions energy: -151.975
where: short stacking energy: -79.988
Base-Backbone interact. energy: -0.689
local terms energy: -120.386870
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -11.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -227.943080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.943080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.943080 (E_RNA)
where:
Base-Base interactions energy: -106.058
where: short stacking energy: -58.066
Base-Backbone interact. energy: 0.839
local terms energy: -123.113284
where:
bonds (distance) C4'-P energy: -35.295
bonds (distance) P-C4' energy: -38.672
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.389 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -151.031114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.031114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.031114 (E_RNA)
where:
Base-Base interactions energy: -65.669
where: short stacking energy: -32.141
Base-Backbone interact. energy: 3.358
local terms energy: -88.720185
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -27.564
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: 2.923
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: 64
Temperature: 0.900000
Total energy: -552.061719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.061719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.061719 (E_RNA)
where:
Base-Base interactions energy: -387.379
where: short stacking energy: -143.727
Base-Backbone interact. energy: -0.958
local terms energy: -163.725362
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -35.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -539.336280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.336280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.336280 (E_RNA)
where:
Base-Base interactions energy: -375.140
where: short stacking energy: -145.716
Base-Backbone interact. energy: -0.394
local terms energy: -163.801541
where:
bonds (distance) C4'-P energy: -27.974
bonds (distance) P-C4' energy: -37.565
flat angles C4'-P-C4' energy: -36.602
flat angles P-C4'-P energy: -24.593
tors. eta vs tors. theta energy: -37.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -501.417433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.417433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.417433 (E_RNA)
where:
Base-Base interactions energy: -342.548
where: short stacking energy: -156.799
Base-Backbone interact. energy: -0.258
local terms energy: -158.611001
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -28.970
flat angles C4'-P-C4' energy: -34.682
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -36.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -474.524877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.524877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.524877 (E_RNA)
where:
Base-Base interactions energy: -307.535
where: short stacking energy: -136.966
Base-Backbone interact. energy: -0.905
local terms energy: -166.084128
where:
bonds (distance) C4'-P energy: -31.602
bonds (distance) P-C4' energy: -34.156
flat angles C4'-P-C4' energy: -36.390
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -42.947
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: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -447.341803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.341803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.341803 (E_RNA)
where:
Base-Base interactions energy: -303.916
where: short stacking energy: -124.696
Base-Backbone interact. energy: -0.877
local terms energy: -142.548348
where:
bonds (distance) C4'-P energy: -30.505
bonds (distance) P-C4' energy: -38.472
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -37.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -365.965116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.965116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.965116 (E_RNA)
where:
Base-Base interactions energy: -225.471
where: short stacking energy: -108.483
Base-Backbone interact. energy: 0.043
local terms energy: -140.537493
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -29.752
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -357.552186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.552186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.552186 (E_RNA)
where:
Base-Base interactions energy: -221.422
where: short stacking energy: -95.498
Base-Backbone interact. energy: -0.268
local terms energy: -135.862312
where:
bonds (distance) C4'-P energy: -36.610
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -270.955308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.955308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.955308 (E_RNA)
where:
Base-Base interactions energy: -161.488
where: short stacking energy: -79.191
Base-Backbone interact. energy: -0.550
local terms energy: -108.917463
where:
bonds (distance) C4'-P energy: -26.013
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -218.417526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.417526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.417526 (E_RNA)
where:
Base-Base interactions energy: -101.024
where: short stacking energy: -49.508
Base-Backbone interact. energy: -0.347
local terms energy: -117.046091
where:
bonds (distance) C4'-P energy: -30.313
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -32.677
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -152.416302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.416302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.416302 (E_RNA)
where:
Base-Base interactions energy: -47.318
where: short stacking energy: -42.415
Base-Backbone interact. energy: 0.480
local terms energy: -105.577505
where:
bonds (distance) C4'-P energy: -31.986
bonds (distance) P-C4' energy: -34.938
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -566.445394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.445394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.445394 (E_RNA)
where:
Base-Base interactions energy: -379.943
where: short stacking energy: -158.038
Base-Backbone interact. energy: -0.535
local terms energy: -185.967376
where:
bonds (distance) C4'-P energy: -37.708
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -36.975
flat angles P-C4'-P energy: -27.027
tors. eta vs tors. theta energy: -47.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -503.277052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.277052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.277052 (E_RNA)
where:
Base-Base interactions energy: -335.007
where: short stacking energy: -136.207
Base-Backbone interact. energy: -1.253
local terms energy: -167.017754
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -39.854
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -37.595
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: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -540.841708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.841708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.841708 (E_RNA)
where:
Base-Base interactions energy: -387.444
where: short stacking energy: -146.858
Base-Backbone interact. energy: -1.434
local terms energy: -151.963546
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -31.913
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -38.542
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: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -474.107893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.107893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.107893 (E_RNA)
where:
Base-Base interactions energy: -308.330
where: short stacking energy: -130.032
Base-Backbone interact. energy: -1.658
local terms energy: -164.120047
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -26.917
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -44.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -441.753188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.753188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.753188 (E_RNA)
where:
Base-Base interactions energy: -288.586
where: short stacking energy: -111.192
Base-Backbone interact. energy: -0.879
local terms energy: -152.287899
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -37.699
flat angles C4'-P-C4' energy: -35.163
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -30.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -388.212117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.212117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.212117 (E_RNA)
where:
Base-Base interactions energy: -254.778
where: short stacking energy: -111.926
Base-Backbone interact. energy: 0.307
local terms energy: -133.741060
where:
bonds (distance) C4'-P energy: -26.116
bonds (distance) P-C4' energy: -35.154
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -18.194
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -342.181066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.181066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.181066 (E_RNA)
where:
Base-Base interactions energy: -227.477
where: short stacking energy: -95.683
Base-Backbone interact. energy: 0.324
local terms energy: -115.027664
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -276.110616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.110616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.110616 (E_RNA)
where:
Base-Base interactions energy: -152.687
where: short stacking energy: -76.768
Base-Backbone interact. energy: -1.310
local terms energy: -122.113300
where:
bonds (distance) C4'-P energy: -29.324
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -179.933540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.933540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.933540 (E_RNA)
where:
Base-Base interactions energy: -87.872
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.372
local terms energy: -91.701519
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: 6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.012 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -139.906558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.906558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.906558 (E_RNA)
where:
Base-Base interactions energy: -63.726
where: short stacking energy: -58.145
Base-Backbone interact. energy: -1.109
local terms energy: -75.071258
where:
bonds (distance) C4'-P energy: -25.461
bonds (distance) P-C4' energy: -26.979
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: 1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -558.035287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.035287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.035287 (E_RNA)
where:
Base-Base interactions energy: -399.528
where: short stacking energy: -160.912
Base-Backbone interact. energy: -0.449
local terms energy: -158.057958
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -34.221
flat angles C4'-P-C4' energy: -28.598
flat angles P-C4'-P energy: -23.204
tors. eta vs tors. theta energy: -42.145
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: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -531.665869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.665869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.665869 (E_RNA)
where:
Base-Base interactions energy: -348.621
where: short stacking energy: -146.153
Base-Backbone interact. energy: -0.015
local terms energy: -183.030298
where:
bonds (distance) C4'-P energy: -35.170
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -39.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -528.401860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.401860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.401860 (E_RNA)
where:
Base-Base interactions energy: -366.525
where: short stacking energy: -146.048
Base-Backbone interact. energy: 0.287
local terms energy: -162.163516
where:
bonds (distance) C4'-P energy: -28.866
bonds (distance) P-C4' energy: -39.467
flat angles C4'-P-C4' energy: -34.350
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -37.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -479.450785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.450785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.450785 (E_RNA)
where:
Base-Base interactions energy: -318.375
where: short stacking energy: -127.749
Base-Backbone interact. energy: -0.269
local terms energy: -160.806630
where:
bonds (distance) C4'-P energy: -29.117
bonds (distance) P-C4' energy: -35.755
flat angles C4'-P-C4' energy: -39.229
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -40.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -399.046928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.046928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.046928 (E_RNA)
where:
Base-Base interactions energy: -245.231
where: short stacking energy: -128.530
Base-Backbone interact. energy: -0.429
local terms energy: -153.386709
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -34.488
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -35.956
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: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -438.286428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.286428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.286428 (E_RNA)
where:
Base-Base interactions energy: -293.034
where: short stacking energy: -124.244
Base-Backbone interact. energy: -0.677
local terms energy: -144.575361
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -36.034
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -20.975
tors. eta vs tors. theta energy: -33.603
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: 2
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -379.242281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.242281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.242281 (E_RNA)
where:
Base-Base interactions energy: -242.912
where: short stacking energy: -99.151
Base-Backbone interact. energy: 0.794
local terms energy: -137.123750
where:
bonds (distance) C4'-P energy: -35.728
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -291.283492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.283492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.283492 (E_RNA)
where:
Base-Base interactions energy: -183.293
where: short stacking energy: -92.175
Base-Backbone interact. energy: -0.215
local terms energy: -107.775001
where:
bonds (distance) C4'-P energy: -29.266
bonds (distance) P-C4' energy: -29.770
flat angles C4'-P-C4' energy: -30.865
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -176.600932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.600932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.600932 (E_RNA)
where:
Base-Base interactions energy: -76.052
where: short stacking energy: -58.056
Base-Backbone interact. energy: -0.494
local terms energy: -100.054903
where:
bonds (distance) C4'-P energy: -27.829
bonds (distance) P-C4' energy: -30.824
flat angles C4'-P-C4' energy: -30.149
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -152.030481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.030481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.030481 (E_RNA)
where:
Base-Base interactions energy: -39.443
where: short stacking energy: -29.582
Base-Backbone interact. energy: -0.327
local terms energy: -112.260376
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -33.223
flat angles C4'-P-C4' energy: -30.753
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -554.221404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.221404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.221404 (E_RNA)
where:
Base-Base interactions energy: -375.775
where: short stacking energy: -138.072
Base-Backbone interact. energy: -0.531
local terms energy: -177.915795
where:
bonds (distance) C4'-P energy: -33.742
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -38.139
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: -44.564
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: 67
Temperature: 0.950000
Total energy: -533.833170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.833170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.833170 (E_RNA)
where:
Base-Base interactions energy: -372.183
where: short stacking energy: -144.353
Base-Backbone interact. energy: 0.018
local terms energy: -161.668165
where:
bonds (distance) C4'-P energy: -32.420
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -36.225
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -36.685
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: 67
Temperature: 1.000000
Total energy: -506.360934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.360934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.360934 (E_RNA)
where:
Base-Base interactions energy: -357.660
where: short stacking energy: -147.256
Base-Backbone interact. energy: -0.488
local terms energy: -148.213312
where:
bonds (distance) C4'-P energy: -32.240
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -36.313
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -32.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -504.438191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.438191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.438191 (E_RNA)
where:
Base-Base interactions energy: -349.204
where: short stacking energy: -145.432
Base-Backbone interact. energy: 1.302
local terms energy: -156.536033
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -34.027
flat angles C4'-P-C4' energy: -29.100
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -41.032
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: 67
Temperature: 1.100000
Total energy: -411.793303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.793303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.793303 (E_RNA)
where:
Base-Base interactions energy: -264.420
where: short stacking energy: -108.532
Base-Backbone interact. energy: -0.407
local terms energy: -146.965738
where:
bonds (distance) C4'-P energy: -32.367
bonds (distance) P-C4' energy: -33.463
flat angles C4'-P-C4' energy: -29.671
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -31.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -410.448905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.448905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.448905 (E_RNA)
where:
Base-Base interactions energy: -252.440
where: short stacking energy: -104.781
Base-Backbone interact. energy: 0.158
local terms energy: -158.827035
where:
bonds (distance) C4'-P energy: -35.059
bonds (distance) P-C4' energy: -36.973
flat angles C4'-P-C4' energy: -38.534
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -27.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.660 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -363.851977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.851977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.851977 (E_RNA)
where:
Base-Base interactions energy: -229.741
where: short stacking energy: -111.724
Base-Backbone interact. energy: -0.288
local terms energy: -133.961401
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -32.208
flat angles C4'-P-C4' energy: -32.724
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -26.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.138 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -275.886325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.886325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.886325 (E_RNA)
where:
Base-Base interactions energy: -142.408
where: short stacking energy: -74.665
Base-Backbone interact. energy: -1.177
local terms energy: -132.300996
where:
bonds (distance) C4'-P energy: -28.619
bonds (distance) P-C4' energy: -34.263
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -154.140862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.140862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.140862 (E_RNA)
where:
Base-Base interactions energy: -55.530
where: short stacking energy: -50.853
Base-Backbone interact. energy: -0.563
local terms energy: -98.047263
where:
bonds (distance) C4'-P energy: -23.917
bonds (distance) P-C4' energy: -29.694
flat angles C4'-P-C4' energy: -26.207
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: 2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -161.996756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.996756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.996756 (E_RNA)
where:
Base-Base interactions energy: -55.661
where: short stacking energy: -51.889
Base-Backbone interact. energy: -0.037
local terms energy: -106.298903
where:
bonds (distance) C4'-P energy: -29.438
bonds (distance) P-C4' energy: -30.051
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -20.943
tors. eta vs tors. theta energy: -2.837
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: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -550.029553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.029553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.029553 (E_RNA)
where:
Base-Base interactions energy: -375.410
where: short stacking energy: -143.969
Base-Backbone interact. energy: -1.299
local terms energy: -173.320510
where:
bonds (distance) C4'-P energy: -36.938
bonds (distance) P-C4' energy: -31.402
flat angles C4'-P-C4' energy: -37.463
flat angles P-C4'-P energy: -26.513
tors. eta vs tors. theta energy: -41.005
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: 68
Temperature: 0.950000
Total energy: -556.190962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.190962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.190962 (E_RNA)
where:
Base-Base interactions energy: -384.406
where: short stacking energy: -156.308
Base-Backbone interact. energy: -1.181
local terms energy: -170.604291
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -38.717
flat angles C4'-P-C4' energy: -33.802
flat angles P-C4'-P energy: -26.517
tors. eta vs tors. theta energy: -49.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -483.389376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.389376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.389376 (E_RNA)
where:
Base-Base interactions energy: -337.388
where: short stacking energy: -142.580
Base-Backbone interact. energy: -0.139
local terms energy: -148.944925
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -32.391
flat angles P-C4'-P energy: -25.875
tors. eta vs tors. theta energy: -37.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.083 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -475.568839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.568839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.568839 (E_RNA)
where:
Base-Base interactions energy: -313.478
where: short stacking energy: -126.657
Base-Backbone interact. energy: -0.278
local terms energy: -161.812182
where:
bonds (distance) C4'-P energy: -31.793
bonds (distance) P-C4' energy: -35.303
flat angles C4'-P-C4' energy: -32.860
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -33.444
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: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -416.950744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.950744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.950744 (E_RNA)
where:
Base-Base interactions energy: -281.523
where: short stacking energy: -102.262
Base-Backbone interact. energy: 0.215
local terms energy: -135.642497
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -35.466
flat angles C4'-P-C4' energy: -26.433
flat angles P-C4'-P energy: -25.785
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -412.153243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.153243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.153243 (E_RNA)
where:
Base-Base interactions energy: -267.379
where: short stacking energy: -115.041
Base-Backbone interact. energy: 0.001
local terms energy: -144.902157
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -34.126
flat angles C4'-P-C4' energy: -26.054
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -24.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.127 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -380.478902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.478902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.478902 (E_RNA)
where:
Base-Base interactions energy: -242.723
where: short stacking energy: -110.077
Base-Backbone interact. energy: -0.934
local terms energy: -138.258595
where:
bonds (distance) C4'-P energy: -31.218
bonds (distance) P-C4' energy: -32.547
flat angles C4'-P-C4' energy: -28.040
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -26.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.437 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -285.180474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.180474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.180474 (E_RNA)
where:
Base-Base interactions energy: -160.898
where: short stacking energy: -77.643
Base-Backbone interact. energy: 0.072
local terms energy: -124.354329
where:
bonds (distance) C4'-P energy: -28.397
bonds (distance) P-C4' energy: -22.562
flat angles C4'-P-C4' energy: -37.534
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -153.382678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.382678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.382678 (E_RNA)
where:
Base-Base interactions energy: -46.982
where: short stacking energy: -45.578
Base-Backbone interact. energy: 0.427
local terms energy: -106.828085
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -9.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -144.880718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.880718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.880718 (E_RNA)
where:
Base-Base interactions energy: -49.469
where: short stacking energy: -37.404
Base-Backbone interact. energy: -0.412
local terms energy: -94.999283
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -34.414
flat angles C4'-P-C4' energy: -27.558
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: 1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -556.943837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.943837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.943837 (E_RNA)
where:
Base-Base interactions energy: -377.944
where: short stacking energy: -154.218
Base-Backbone interact. energy: -0.781
local terms energy: -178.218138
where:
bonds (distance) C4'-P energy: -36.400
bonds (distance) P-C4' energy: -33.386
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -39.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -549.613878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.613878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.613878 (E_RNA)
where:
Base-Base interactions energy: -371.107
where: short stacking energy: -141.804
Base-Backbone interact. energy: -0.455
local terms energy: -178.052257
where:
bonds (distance) C4'-P energy: -32.672
bonds (distance) P-C4' energy: -36.321
flat angles C4'-P-C4' energy: -36.911
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -48.661
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: 69
Temperature: 1.000000
Total energy: -495.707654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.707654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.707654 (E_RNA)
where:
Base-Base interactions energy: -332.620
where: short stacking energy: -149.640
Base-Backbone interact. energy: -1.569
local terms energy: -161.519598
where:
bonds (distance) C4'-P energy: -29.495
bonds (distance) P-C4' energy: -31.582
flat angles C4'-P-C4' energy: -34.089
flat angles P-C4'-P energy: -27.993
tors. eta vs tors. theta energy: -38.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -465.907621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.907621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.907621 (E_RNA)
where:
Base-Base interactions energy: -306.960
where: short stacking energy: -139.318
Base-Backbone interact. energy: -0.594
local terms energy: -158.354540
where:
bonds (distance) C4'-P energy: -29.415
bonds (distance) P-C4' energy: -29.390
flat angles C4'-P-C4' energy: -34.344
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -44.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -418.259293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.259293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.259293 (E_RNA)
where:
Base-Base interactions energy: -270.800
where: short stacking energy: -113.253
Base-Backbone interact. energy: 0.560
local terms energy: -148.020046
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -39.721
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -18.537
tors. eta vs tors. theta energy: -32.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -413.126239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.126239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.126239 (E_RNA)
where:
Base-Base interactions energy: -255.857
where: short stacking energy: -112.995
Base-Backbone interact. energy: -0.351
local terms energy: -156.919034
where:
bonds (distance) C4'-P energy: -33.841
bonds (distance) P-C4' energy: -26.476
flat angles C4'-P-C4' energy: -37.520
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -34.315
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: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -367.040808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.040808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.040808 (E_RNA)
where:
Base-Base interactions energy: -214.517
where: short stacking energy: -99.672
Base-Backbone interact. energy: -0.814
local terms energy: -153.261720
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -39.477
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -24.854
tors. eta vs tors. theta energy: -30.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.552 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -283.086777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.086777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.086777 (E_RNA)
where:
Base-Base interactions energy: -164.396
where: short stacking energy: -69.371
Base-Backbone interact. energy: -2.298
local terms energy: -116.746322
where:
bonds (distance) C4'-P energy: -33.166
bonds (distance) P-C4' energy: -32.922
flat angles C4'-P-C4' energy: -24.636
flat angles P-C4'-P energy: -16.742
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: 0.353 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -160.319325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.319325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.319325 (E_RNA)
where:
Base-Base interactions energy: -53.935
where: short stacking energy: -51.118
Base-Backbone interact. energy: 0.992
local terms energy: -108.084685
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -37.061
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.709 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -225.966613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.966613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.966613 (E_RNA)
where:
Base-Base interactions energy: -130.118
where: short stacking energy: -58.940
Base-Backbone interact. energy: -1.190
local terms energy: -94.658352
where:
bonds (distance) C4'-P energy: -27.347
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -15.823
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: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -559.391786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.391786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.391786 (E_RNA)
where:
Base-Base interactions energy: -388.274
where: short stacking energy: -157.535
Base-Backbone interact. energy: -0.247
local terms energy: -170.871616
where:
bonds (distance) C4'-P energy: -30.045
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -38.500
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: -43.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -541.577575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.577575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.577575 (E_RNA)
where:
Base-Base interactions energy: -390.220
where: short stacking energy: -146.207
Base-Backbone interact. energy: 0.938
local terms energy: -152.295686
where:
bonds (distance) C4'-P energy: -36.485
bonds (distance) P-C4' energy: -33.160
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -37.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -469.411500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.411500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.411500 (E_RNA)
where:
Base-Base interactions energy: -319.599
where: short stacking energy: -138.895
Base-Backbone interact. energy: 0.571
local terms energy: -150.383161
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -30.750
flat angles C4'-P-C4' energy: -31.561
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -39.830
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: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -462.680680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.680680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.680680 (E_RNA)
where:
Base-Base interactions energy: -316.637
where: short stacking energy: -128.449
Base-Backbone interact. energy: 0.089
local terms energy: -146.165721
where:
bonds (distance) C4'-P energy: -29.266
bonds (distance) P-C4' energy: -30.136
flat angles C4'-P-C4' energy: -35.429
flat angles P-C4'-P energy: -19.356
tors. eta vs tors. theta energy: -31.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.033 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -425.875624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.875624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.875624 (E_RNA)
where:
Base-Base interactions energy: -284.094
where: short stacking energy: -122.702
Base-Backbone interact. energy: -0.964
local terms energy: -141.075399
where:
bonds (distance) C4'-P energy: -22.971
bonds (distance) P-C4' energy: -33.616
flat angles C4'-P-C4' energy: -36.105
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -34.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.258 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -392.946469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.946469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.946469 (E_RNA)
where:
Base-Base interactions energy: -249.479
where: short stacking energy: -120.076
Base-Backbone interact. energy: -1.248
local terms energy: -142.219024
where:
bonds (distance) C4'-P energy: -27.384
bonds (distance) P-C4' energy: -31.332
flat angles C4'-P-C4' energy: -34.141
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -36.576
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: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -372.669649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.669649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.669649 (E_RNA)
where:
Base-Base interactions energy: -244.044
where: short stacking energy: -111.222
Base-Backbone interact. energy: 1.000
local terms energy: -129.625377
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -31.558
flat angles C4'-P-C4' energy: -28.851
flat angles P-C4'-P energy: -18.107
tors. eta vs tors. theta energy: -26.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -269.163399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.163399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.163399 (E_RNA)
where:
Base-Base interactions energy: -147.803
where: short stacking energy: -69.914
Base-Backbone interact. energy: -0.143
local terms energy: -121.217071
where:
bonds (distance) C4'-P energy: -36.078
bonds (distance) P-C4' energy: -23.182
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -14.374
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: 9, replica: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -218.772996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.772996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.772996 (E_RNA)
where:
Base-Base interactions energy: -102.597
where: short stacking energy: -59.987
Base-Backbone interact. energy: 4.132
local terms energy: -120.308284
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -33.948
flat angles C4'-P-C4' energy: -35.747
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -10.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -167.934383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.934383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.934383 (E_RNA)
where:
Base-Base interactions energy: -83.911
where: short stacking energy: -50.479
Base-Backbone interact. energy: -2.058
local terms energy: -81.965700
where:
bonds (distance) C4'-P energy: -24.695
bonds (distance) P-C4' energy: -31.322
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: 1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -555.976059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.976059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.976059 (E_RNA)
where:
Base-Base interactions energy: -375.842
where: short stacking energy: -151.749
Base-Backbone interact. energy: -0.675
local terms energy: -179.459041
where:
bonds (distance) C4'-P energy: -32.681
bonds (distance) P-C4' energy: -37.517
flat angles C4'-P-C4' energy: -32.437
flat angles P-C4'-P energy: -29.818
tors. eta vs tors. theta energy: -47.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -539.556544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.556544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.556544 (E_RNA)
where:
Base-Base interactions energy: -367.196
where: short stacking energy: -150.453
Base-Backbone interact. energy: 0.480
local terms energy: -172.840260
where:
bonds (distance) C4'-P energy: -33.840
bonds (distance) P-C4' energy: -35.326
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -28.403
tors. eta vs tors. theta energy: -41.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -497.866671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.866671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.866671 (E_RNA)
where:
Base-Base interactions energy: -324.841
where: short stacking energy: -159.158
Base-Backbone interact. energy: -0.467
local terms energy: -172.558494
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -32.147
flat angles P-C4'-P energy: -26.638
tors. eta vs tors. theta energy: -45.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -473.659091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.659091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.659091 (E_RNA)
where:
Base-Base interactions energy: -309.394
where: short stacking energy: -146.718
Base-Backbone interact. energy: -0.159
local terms energy: -164.106370
where:
bonds (distance) C4'-P energy: -39.278
bonds (distance) P-C4' energy: -36.130
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -39.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -456.235027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.235027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.235027 (E_RNA)
where:
Base-Base interactions energy: -293.351
where: short stacking energy: -137.653
Base-Backbone interact. energy: -0.338
local terms energy: -162.545601
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -28.252
flat angles C4'-P-C4' energy: -35.987
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -44.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -395.576538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.576538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.576538 (E_RNA)
where:
Base-Base interactions energy: -255.822
where: short stacking energy: -119.683
Base-Backbone interact. energy: -0.106
local terms energy: -140.694114
where:
bonds (distance) C4'-P energy: -29.846
bonds (distance) P-C4' energy: -35.683
flat angles C4'-P-C4' energy: -36.338
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -28.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.046 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -362.763956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.763956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.763956 (E_RNA)
where:
Base-Base interactions energy: -223.141
where: short stacking energy: -103.823
Base-Backbone interact. energy: -0.493
local terms energy: -139.130686
where:
bonds (distance) C4'-P energy: -28.512
bonds (distance) P-C4' energy: -32.303
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -25.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -271.670426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.670426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.670426 (E_RNA)
where:
Base-Base interactions energy: -143.050
where: short stacking energy: -74.636
Base-Backbone interact. energy: -0.736
local terms energy: -127.884151
where:
bonds (distance) C4'-P energy: -32.951
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -239.645569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.645569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.645569 (E_RNA)
where:
Base-Base interactions energy: -137.747
where: short stacking energy: -65.450
Base-Backbone interact. energy: -0.800
local terms energy: -101.098524
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -32.937
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -154.831767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.831767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.831767 (E_RNA)
where:
Base-Base interactions energy: -52.347
where: short stacking energy: -50.565
Base-Backbone interact. energy: 2.688
local terms energy: -105.173318
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -37.360
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: 2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -542.974436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.974436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.974436 (E_RNA)
where:
Base-Base interactions energy: -369.937
where: short stacking energy: -156.943
Base-Backbone interact. energy: -1.163
local terms energy: -171.873979
where:
bonds (distance) C4'-P energy: -33.884
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -35.063
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -43.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -538.018785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.018785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.018785 (E_RNA)
where:
Base-Base interactions energy: -373.158
where: short stacking energy: -153.412
Base-Backbone interact. energy: -1.036
local terms energy: -163.825600
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -34.461
flat angles P-C4'-P energy: -28.892
tors. eta vs tors. theta energy: -34.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -504.169928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.169928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.169928 (E_RNA)
where:
Base-Base interactions energy: -332.665
where: short stacking energy: -153.903
Base-Backbone interact. energy: -0.352
local terms energy: -171.152814
where:
bonds (distance) C4'-P energy: -32.910
bonds (distance) P-C4' energy: -39.666
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -43.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -450.170678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.170678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.170678 (E_RNA)
where:
Base-Base interactions energy: -299.856
where: short stacking energy: -128.541
Base-Backbone interact. energy: 1.201
local terms energy: -151.515552
where:
bonds (distance) C4'-P energy: -30.057
bonds (distance) P-C4' energy: -38.323
flat angles C4'-P-C4' energy: -32.399
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -30.479
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: 72
Temperature: 1.100000
Total energy: -463.578024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.578024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.578024 (E_RNA)
where:
Base-Base interactions energy: -298.340
where: short stacking energy: -130.997
Base-Backbone interact. energy: -0.426
local terms energy: -164.811841
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -37.804
flat angles C4'-P-C4' energy: -36.093
flat angles P-C4'-P energy: -23.198
tors. eta vs tors. theta energy: -36.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -411.559817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.559817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.559817 (E_RNA)
where:
Base-Base interactions energy: -267.496
where: short stacking energy: -109.880
Base-Backbone interact. energy: -0.651
local terms energy: -143.412356
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -30.537
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -24.086
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: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -322.652193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.652193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.652193 (E_RNA)
where:
Base-Base interactions energy: -179.332
where: short stacking energy: -70.943
Base-Backbone interact. energy: -0.439
local terms energy: -142.881467
where:
bonds (distance) C4'-P energy: -36.780
bonds (distance) P-C4' energy: -28.655
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -25.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -280.625621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.625621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.625621 (E_RNA)
where:
Base-Base interactions energy: -189.664
where: short stacking energy: -78.116
Base-Backbone interact. energy: -0.168
local terms energy: -90.793177
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -26.421
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -272.543754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.543754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.543754 (E_RNA)
where:
Base-Base interactions energy: -154.318
where: short stacking energy: -89.373
Base-Backbone interact. energy: 1.042
local terms energy: -119.267785
where:
bonds (distance) C4'-P energy: -28.296
bonds (distance) P-C4' energy: -30.736
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -161.424511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.424511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.424511 (E_RNA)
where:
Base-Base interactions energy: -68.686
where: short stacking energy: -45.941
Base-Backbone interact. energy: -0.430
local terms energy: -93.305026
where:
bonds (distance) C4'-P energy: -33.344
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: 5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.996 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -549.660195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.660195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.660195 (E_RNA)
where:
Base-Base interactions energy: -378.478
where: short stacking energy: -156.776
Base-Backbone interact. energy: -1.535
local terms energy: -169.646946
where:
bonds (distance) C4'-P energy: -32.457
bonds (distance) P-C4' energy: -30.642
flat angles C4'-P-C4' energy: -35.885
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -47.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -500.724495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.724495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.724495 (E_RNA)
where:
Base-Base interactions energy: -325.228
where: short stacking energy: -138.170
Base-Backbone interact. energy: -0.248
local terms energy: -175.248173
where:
bonds (distance) C4'-P energy: -35.896
bonds (distance) P-C4' energy: -33.329
flat angles C4'-P-C4' energy: -37.671
flat angles P-C4'-P energy: -26.157
tors. eta vs tors. theta energy: -42.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -522.064948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.064948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.064948 (E_RNA)
where:
Base-Base interactions energy: -366.491
where: short stacking energy: -129.533
Base-Backbone interact. energy: -0.840
local terms energy: -154.733564
where:
bonds (distance) C4'-P energy: -27.723
bonds (distance) P-C4' energy: -33.411
flat angles C4'-P-C4' energy: -35.268
flat angles P-C4'-P energy: -22.099
tors. eta vs tors. theta energy: -36.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -468.657170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.657170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.657170 (E_RNA)
where:
Base-Base interactions energy: -305.827
where: short stacking energy: -145.581
Base-Backbone interact. energy: -0.901
local terms energy: -161.928885
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -35.549
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -22.548
tors. eta vs tors. theta energy: -38.890
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: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -411.042422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.042422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.042422 (E_RNA)
where:
Base-Base interactions energy: -256.014
where: short stacking energy: -114.231
Base-Backbone interact. energy: -1.140
local terms energy: -155.193447
where:
bonds (distance) C4'-P energy: -29.915
bonds (distance) P-C4' energy: -33.984
flat angles C4'-P-C4' energy: -37.493
flat angles P-C4'-P energy: -22.723
tors. eta vs tors. theta energy: -31.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.305 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -405.145323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.145323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.145323 (E_RNA)
where:
Base-Base interactions energy: -264.830
where: short stacking energy: -114.582
Base-Backbone interact. energy: 0.456
local terms energy: -140.771518
where:
bonds (distance) C4'-P energy: -31.788
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -36.989
flat angles P-C4'-P energy: -18.506
tors. eta vs tors. theta energy: -27.476
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: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -359.826116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.826116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.826116 (E_RNA)
where:
Base-Base interactions energy: -215.918
where: short stacking energy: -115.959
Base-Backbone interact. energy: 0.802
local terms energy: -145.697450
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -34.278
flat angles C4'-P-C4' energy: -34.789
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.987 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -298.572068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.572068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.572068 (E_RNA)
where:
Base-Base interactions energy: -182.728
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.420
local terms energy: -115.423449
where:
bonds (distance) C4'-P energy: -24.423
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -29.478
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -274.480380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.480380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.480380 (E_RNA)
where:
Base-Base interactions energy: -157.104
where: short stacking energy: -71.293
Base-Backbone interact. energy: 2.178
local terms energy: -119.554388
where:
bonds (distance) C4'-P energy: -33.289
bonds (distance) P-C4' energy: -32.462
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -10.017
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: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -169.778151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.778151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.778151 (E_RNA)
where:
Base-Base interactions energy: -56.555
where: short stacking energy: -50.399
Base-Backbone interact. energy: -0.935
local terms energy: -112.288370
where:
bonds (distance) C4'-P energy: -26.981
bonds (distance) P-C4' energy: -32.149
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -565.227329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.227329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.227329 (E_RNA)
where:
Base-Base interactions energy: -389.915
where: short stacking energy: -160.031
Base-Backbone interact. energy: 1.229
local terms energy: -176.541159
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -32.414
flat angles C4'-P-C4' energy: -35.457
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: -47.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -522.687790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.687790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.687790 (E_RNA)
where:
Base-Base interactions energy: -352.078
where: short stacking energy: -162.876
Base-Backbone interact. energy: -0.763
local terms energy: -169.846632
where:
bonds (distance) C4'-P energy: -30.353
bonds (distance) P-C4' energy: -37.736
flat angles C4'-P-C4' energy: -33.261
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -44.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -543.585315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.585315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.585315 (E_RNA)
where:
Base-Base interactions energy: -378.630
where: short stacking energy: -147.689
Base-Backbone interact. energy: -0.721
local terms energy: -164.234409
where:
bonds (distance) C4'-P energy: -29.547
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -39.781
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -38.625
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: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -470.843220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.843220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.843220 (E_RNA)
where:
Base-Base interactions energy: -311.560
where: short stacking energy: -132.207
Base-Backbone interact. energy: -1.260
local terms energy: -158.022502
where:
bonds (distance) C4'-P energy: -28.433
bonds (distance) P-C4' energy: -33.558
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -35.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -418.863892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.863892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.863892 (E_RNA)
where:
Base-Base interactions energy: -267.549
where: short stacking energy: -116.971
Base-Backbone interact. energy: -0.572
local terms energy: -150.960150
where:
bonds (distance) C4'-P energy: -31.264
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -24.047
tors. eta vs tors. theta energy: -30.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.217 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -397.531423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.531423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.531423 (E_RNA)
where:
Base-Base interactions energy: -255.620
where: short stacking energy: -119.419
Base-Backbone interact. energy: -0.028
local terms energy: -141.883979
where:
bonds (distance) C4'-P energy: -28.288
bonds (distance) P-C4' energy: -39.331
flat angles C4'-P-C4' energy: -29.674
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -29.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -286.015088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.015088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.015088 (E_RNA)
where:
Base-Base interactions energy: -174.256
where: short stacking energy: -84.802
Base-Backbone interact. energy: 1.201
local terms energy: -112.960228
where:
bonds (distance) C4'-P energy: -35.145
bonds (distance) P-C4' energy: -30.150
flat angles C4'-P-C4' energy: -25.361
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -321.918335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.918335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.918335 (E_RNA)
where:
Base-Base interactions energy: -194.575
where: short stacking energy: -91.414
Base-Backbone interact. energy: -2.108
local terms energy: -125.414083
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -24.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.179 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -277.365893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.365893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.365893 (E_RNA)
where:
Base-Base interactions energy: -160.734
where: short stacking energy: -78.423
Base-Backbone interact. energy: -0.507
local terms energy: -116.124528
where:
bonds (distance) C4'-P energy: -36.269
bonds (distance) P-C4' energy: -31.660
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -157.038011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.038011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.038011 (E_RNA)
where:
Base-Base interactions energy: -48.191
where: short stacking energy: -39.046
Base-Backbone interact. energy: -0.927
local terms energy: -107.920685
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -34.677
flat angles C4'-P-C4' energy: -31.047
flat angles P-C4'-P energy: -18.199
tors. eta vs tors. theta energy: 3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -557.788553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.788553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.788553 (E_RNA)
where:
Base-Base interactions energy: -391.105
where: short stacking energy: -159.366
Base-Backbone interact. energy: -0.381
local terms energy: -166.302871
where:
bonds (distance) C4'-P energy: -31.215
bonds (distance) P-C4' energy: -34.992
flat angles C4'-P-C4' energy: -32.038
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -45.198
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: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -539.754285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.754285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.754285 (E_RNA)
where:
Base-Base interactions energy: -380.116
where: short stacking energy: -153.023
Base-Backbone interact. energy: -1.200
local terms energy: -158.438479
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -36.302
flat angles C4'-P-C4' energy: -31.326
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -44.270
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: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -505.020805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.020805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.020805 (E_RNA)
where:
Base-Base interactions energy: -345.525
where: short stacking energy: -143.034
Base-Backbone interact. energy: -0.915
local terms energy: -158.580872
where:
bonds (distance) C4'-P energy: -31.631
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -31.830
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -38.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -475.729366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.729366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.729366 (E_RNA)
where:
Base-Base interactions energy: -323.785
where: short stacking energy: -130.993
Base-Backbone interact. energy: -0.028
local terms energy: -151.915650
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -36.239
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -33.923
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: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -433.527665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.527665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.527665 (E_RNA)
where:
Base-Base interactions energy: -293.275
where: short stacking energy: -137.082
Base-Backbone interact. energy: -0.522
local terms energy: -139.730707
where:
bonds (distance) C4'-P energy: -28.377
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -34.076
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -28.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -417.784740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.784740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.784740 (E_RNA)
where:
Base-Base interactions energy: -288.477
where: short stacking energy: -116.207
Base-Backbone interact. energy: 0.219
local terms energy: -130.573214
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -28.829
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -31.181
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: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -302.107460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.107460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.107460 (E_RNA)
where:
Base-Base interactions energy: -179.001
where: short stacking energy: -91.049
Base-Backbone interact. energy: -1.454
local terms energy: -121.653057
where:
bonds (distance) C4'-P energy: -30.691
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -27.207
flat angles P-C4'-P energy: -17.526
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -336.189074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.189074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.189074 (E_RNA)
where:
Base-Base interactions energy: -210.858
where: short stacking energy: -104.080
Base-Backbone interact. energy: -0.328
local terms energy: -126.048752
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.046 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -257.200570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.200570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.200570 (E_RNA)
where:
Base-Base interactions energy: -144.470
where: short stacking energy: -79.536
Base-Backbone interact. energy: -0.340
local terms energy: -113.343707
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -27.174
flat angles C4'-P-C4' energy: -31.251
flat angles P-C4'-P energy: -18.764
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: 0.953 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -151.285795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.285795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.285795 (E_RNA)
where:
Base-Base interactions energy: -60.626
where: short stacking energy: -48.169
Base-Backbone interact. energy: -1.197
local terms energy: -89.462609
where:
bonds (distance) C4'-P energy: -27.714
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -556.541679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.541679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.541679 (E_RNA)
where:
Base-Base interactions energy: -394.409
where: short stacking energy: -137.650
Base-Backbone interact. energy: -0.070
local terms energy: -162.062383
where:
bonds (distance) C4'-P energy: -29.985
bonds (distance) P-C4' energy: -34.648
flat angles C4'-P-C4' energy: -32.972
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -35.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -553.815343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.815343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.815343 (E_RNA)
where:
Base-Base interactions energy: -380.277
where: short stacking energy: -162.242
Base-Backbone interact. energy: 1.062
local terms energy: -174.600782
where:
bonds (distance) C4'-P energy: -36.132
bonds (distance) P-C4' energy: -29.169
flat angles C4'-P-C4' energy: -35.142
flat angles P-C4'-P energy: -26.055
tors. eta vs tors. theta energy: -48.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -489.368279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.368279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.368279 (E_RNA)
where:
Base-Base interactions energy: -319.775
where: short stacking energy: -142.348
Base-Backbone interact. energy: -1.041
local terms energy: -168.552811
where:
bonds (distance) C4'-P energy: -33.894
bonds (distance) P-C4' energy: -28.839
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -43.906
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: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -482.335878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.335878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.335878 (E_RNA)
where:
Base-Base interactions energy: -317.366
where: short stacking energy: -140.201
Base-Backbone interact. energy: -0.384
local terms energy: -164.585930
where:
bonds (distance) C4'-P energy: -28.848
bonds (distance) P-C4' energy: -33.669
flat angles C4'-P-C4' energy: -33.653
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: -39.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -431.225011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.225011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.225011 (E_RNA)
where:
Base-Base interactions energy: -296.112
where: short stacking energy: -126.480
Base-Backbone interact. energy: -0.931
local terms energy: -134.241517
where:
bonds (distance) C4'-P energy: -29.071
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -24.135
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.059 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -434.344860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.344860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.344860 (E_RNA)
where:
Base-Base interactions energy: -291.526
where: short stacking energy: -131.478
Base-Backbone interact. energy: -3.047
local terms energy: -139.771907
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -33.786
flat angles C4'-P-C4' energy: -32.908
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -34.075
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: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -344.011686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.011686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.011686 (E_RNA)
where:
Base-Base interactions energy: -213.035
where: short stacking energy: -78.805
Base-Backbone interact. energy: 0.110
local terms energy: -131.086578
where:
bonds (distance) C4'-P energy: -32.159
bonds (distance) P-C4' energy: -25.675
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -269.477947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.477947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.477947 (E_RNA)
where:
Base-Base interactions energy: -155.856
where: short stacking energy: -70.243
Base-Backbone interact. energy: 2.933
local terms energy: -116.569690
where:
bonds (distance) C4'-P energy: -33.451
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -26.787
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.015 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -160.778757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.778757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.778757 (E_RNA)
where:
Base-Base interactions energy: -65.501
where: short stacking energy: -56.653
Base-Backbone interact. energy: 0.305
local terms energy: -95.583391
where:
bonds (distance) C4'-P energy: -31.670
bonds (distance) P-C4' energy: -28.826
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -245.679137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.679137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.679137 (E_RNA)
where:
Base-Base interactions energy: -137.096
where: short stacking energy: -66.348
Base-Backbone interact. energy: -1.662
local terms energy: -107.022787
where:
bonds (distance) C4'-P energy: -30.018
bonds (distance) P-C4' energy: -29.208
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -556.688413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.688413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.688413 (E_RNA)
where:
Base-Base interactions energy: -393.405
where: short stacking energy: -144.927
Base-Backbone interact. energy: -1.230
local terms energy: -162.053821
where:
bonds (distance) C4'-P energy: -35.026
bonds (distance) P-C4' energy: -33.034
flat angles C4'-P-C4' energy: -31.356
flat angles P-C4'-P energy: -19.329
tors. eta vs tors. theta energy: -43.309
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: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -550.368854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.368854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.368854 (E_RNA)
where:
Base-Base interactions energy: -383.220
where: short stacking energy: -151.725
Base-Backbone interact. energy: -1.744
local terms energy: -165.404857
where:
bonds (distance) C4'-P energy: -35.994
bonds (distance) P-C4' energy: -28.723
flat angles C4'-P-C4' energy: -32.552
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -43.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -504.395585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.395585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.395585 (E_RNA)
where:
Base-Base interactions energy: -330.132
where: short stacking energy: -148.360
Base-Backbone interact. energy: -0.432
local terms energy: -173.831432
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -34.281
flat angles C4'-P-C4' energy: -34.756
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -39.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -493.440891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.440891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.440891 (E_RNA)
where:
Base-Base interactions energy: -334.674
where: short stacking energy: -144.686
Base-Backbone interact. energy: -1.114
local terms energy: -157.653577
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -31.746
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -40.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -456.167101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.167101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.167101 (E_RNA)
where:
Base-Base interactions energy: -298.351
where: short stacking energy: -135.158
Base-Backbone interact. energy: 0.362
local terms energy: -158.177376
where:
bonds (distance) C4'-P energy: -35.987
bonds (distance) P-C4' energy: -31.445
flat angles C4'-P-C4' energy: -32.042
flat angles P-C4'-P energy: -21.919
tors. eta vs tors. theta energy: -36.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -415.483251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.483251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.483251 (E_RNA)
where:
Base-Base interactions energy: -272.353
where: short stacking energy: -95.421
Base-Backbone interact. energy: -0.499
local terms energy: -142.631331
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -29.843
flat angles P-C4'-P energy: -28.565
tors. eta vs tors. theta energy: -29.186
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: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -346.942511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.942511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.942511 (E_RNA)
where:
Base-Base interactions energy: -218.480
where: short stacking energy: -98.631
Base-Backbone interact. energy: -0.462
local terms energy: -128.000693
where:
bonds (distance) C4'-P energy: -24.620
bonds (distance) P-C4' energy: -38.010
flat angles C4'-P-C4' energy: -29.239
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -17.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -280.556961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.556961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.556961 (E_RNA)
where:
Base-Base interactions energy: -155.910
where: short stacking energy: -85.224
Base-Backbone interact. energy: -0.286
local terms energy: -124.361109
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -35.981
flat angles C4'-P-C4' energy: -28.498
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -175.684020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.684020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.684020 (E_RNA)
where:
Base-Base interactions energy: -78.409
where: short stacking energy: -59.021
Base-Backbone interact. energy: 1.547
local terms energy: -98.821655
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -24.512
flat angles P-C4'-P energy: -23.196
tors. eta vs tors. theta energy: 1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -145.809062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.809062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.809062 (E_RNA)
where:
Base-Base interactions energy: -44.310
where: short stacking energy: -28.522
Base-Backbone interact. energy: -0.295
local terms energy: -101.722818
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: 2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.519 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -556.013421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.013421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.013421 (E_RNA)
where:
Base-Base interactions energy: -383.686
where: short stacking energy: -158.517
Base-Backbone interact. energy: -1.357
local terms energy: -170.969855
where:
bonds (distance) C4'-P energy: -37.162
bonds (distance) P-C4' energy: -30.546
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -47.440
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: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -546.095021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.095021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.095021 (E_RNA)
where:
Base-Base interactions energy: -386.871
where: short stacking energy: -144.524
Base-Backbone interact. energy: -1.996
local terms energy: -157.228018
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -38.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -502.791063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.791063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.791063 (E_RNA)
where:
Base-Base interactions energy: -329.757
where: short stacking energy: -148.829
Base-Backbone interact. energy: 0.299
local terms energy: -173.333364
where:
bonds (distance) C4'-P energy: -34.482
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -43.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -468.430076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.430076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.430076 (E_RNA)
where:
Base-Base interactions energy: -315.974
where: short stacking energy: -144.159
Base-Backbone interact. energy: -1.269
local terms energy: -151.187817
where:
bonds (distance) C4'-P energy: -24.595
bonds (distance) P-C4' energy: -36.910
flat angles C4'-P-C4' energy: -34.135
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -32.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -481.893713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.893713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.893713 (E_RNA)
where:
Base-Base interactions energy: -326.306
where: short stacking energy: -136.841
Base-Backbone interact. energy: -1.398
local terms energy: -154.190242
where:
bonds (distance) C4'-P energy: -32.834
bonds (distance) P-C4' energy: -31.542
flat angles C4'-P-C4' energy: -31.784
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -41.565
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: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -414.573760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.573760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.573760 (E_RNA)
where:
Base-Base interactions energy: -287.294
where: short stacking energy: -120.563
Base-Backbone interact. energy: 2.190
local terms energy: -129.469095
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -25.806
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -29.217
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: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -335.471269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.471269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.471269 (E_RNA)
where:
Base-Base interactions energy: -199.161
where: short stacking energy: -87.499
Base-Backbone interact. energy: -0.409
local terms energy: -135.901871
where:
bonds (distance) C4'-P energy: -24.056
bonds (distance) P-C4' energy: -35.101
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -287.941583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.941583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.941583 (E_RNA)
where:
Base-Base interactions energy: -177.857
where: short stacking energy: -79.736
Base-Backbone interact. energy: -0.704
local terms energy: -109.380873
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -28.551
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -165.654036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.654036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.654036 (E_RNA)
where:
Base-Base interactions energy: -65.152
where: short stacking energy: -52.016
Base-Backbone interact. energy: 0.197
local terms energy: -100.699823
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -1.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -148.888017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.888017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.888017 (E_RNA)
where:
Base-Base interactions energy: -58.416
where: short stacking energy: -36.155
Base-Backbone interact. energy: -0.983
local terms energy: -89.488846
where:
bonds (distance) C4'-P energy: -31.611
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: 3.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -569.572634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.572634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.572634 (E_RNA)
where:
Base-Base interactions energy: -381.093
where: short stacking energy: -156.321
Base-Backbone interact. energy: -1.324
local terms energy: -187.156081
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -37.280
flat angles C4'-P-C4' energy: -38.212
flat angles P-C4'-P energy: -31.380
tors. eta vs tors. theta energy: -46.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -515.427816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.427816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.427816 (E_RNA)
where:
Base-Base interactions energy: -344.653
where: short stacking energy: -154.397
Base-Backbone interact. energy: -0.650
local terms energy: -170.124288
where:
bonds (distance) C4'-P energy: -33.904
bonds (distance) P-C4' energy: -31.350
flat angles C4'-P-C4' energy: -38.778
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -47.893
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: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -537.480289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.480289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.480289 (E_RNA)
where:
Base-Base interactions energy: -381.330
where: short stacking energy: -144.156
Base-Backbone interact. energy: -0.460
local terms energy: -155.690181
where:
bonds (distance) C4'-P energy: -29.659
bonds (distance) P-C4' energy: -30.548
flat angles C4'-P-C4' energy: -36.958
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -37.688
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: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -480.500338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.500338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.500338 (E_RNA)
where:
Base-Base interactions energy: -329.272
where: short stacking energy: -136.061
Base-Backbone interact. energy: 0.531
local terms energy: -151.760161
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -33.546
flat angles C4'-P-C4' energy: -29.797
flat angles P-C4'-P energy: -26.991
tors. eta vs tors. theta energy: -38.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -451.457511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.457511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.457511 (E_RNA)
where:
Base-Base interactions energy: -297.430
where: short stacking energy: -118.081
Base-Backbone interact. energy: -1.887
local terms energy: -152.140719
where:
bonds (distance) C4'-P energy: -31.682
bonds (distance) P-C4' energy: -35.385
flat angles C4'-P-C4' energy: -32.883
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -29.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -388.716366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.716366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.716366 (E_RNA)
where:
Base-Base interactions energy: -251.306
where: short stacking energy: -119.704
Base-Backbone interact. energy: -0.647
local terms energy: -136.763550
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -28.755
flat angles C4'-P-C4' energy: -35.288
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -384.727194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.727194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.727194 (E_RNA)
where:
Base-Base interactions energy: -236.916
where: short stacking energy: -112.913
Base-Backbone interact. energy: -0.713
local terms energy: -147.656755
where:
bonds (distance) C4'-P energy: -30.211
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -23.387
tors. eta vs tors. theta energy: -32.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.558 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -299.388309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.388309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.388309 (E_RNA)
where:
Base-Base interactions energy: -174.295
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.765
local terms energy: -124.328484
where:
bonds (distance) C4'-P energy: -25.373
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -30.905
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -20.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -201.197652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.197652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.197652 (E_RNA)
where:
Base-Base interactions energy: -92.714
where: short stacking energy: -54.382
Base-Backbone interact. energy: -0.963
local terms energy: -107.520586
where:
bonds (distance) C4'-P energy: -29.240
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -34.802
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -149.310727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.310727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.310727 (E_RNA)
where:
Base-Base interactions energy: -48.269
where: short stacking energy: -41.277
Base-Backbone interact. energy: -1.058
local terms energy: -100.277723
where:
bonds (distance) C4'-P energy: -27.422
bonds (distance) P-C4' energy: -32.382
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: 1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.294 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -542.592519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.592519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.592519 (E_RNA)
where:
Base-Base interactions energy: -366.682
where: short stacking energy: -152.696
Base-Backbone interact. energy: -1.440
local terms energy: -174.470681
where:
bonds (distance) C4'-P energy: -31.348
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -28.017
tors. eta vs tors. theta energy: -47.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -518.422337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.422337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.422337 (E_RNA)
where:
Base-Base interactions energy: -340.601
where: short stacking energy: -161.079
Base-Backbone interact. energy: -0.726
local terms energy: -177.095597
where:
bonds (distance) C4'-P energy: -29.683
bonds (distance) P-C4' energy: -34.961
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -49.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -508.386115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.386115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.386115 (E_RNA)
where:
Base-Base interactions energy: -357.579
where: short stacking energy: -137.462
Base-Backbone interact. energy: -0.995
local terms energy: -149.811894
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -28.039
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: -39.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -499.960933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.960933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.960933 (E_RNA)
where:
Base-Base interactions energy: -348.226
where: short stacking energy: -140.221
Base-Backbone interact. energy: -1.017
local terms energy: -150.717484
where:
bonds (distance) C4'-P energy: -26.755
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -38.827
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: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -476.743809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.743809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.743809 (E_RNA)
where:
Base-Base interactions energy: -315.095
where: short stacking energy: -140.292
Base-Backbone interact. energy: 1.351
local terms energy: -163.864219
where:
bonds (distance) C4'-P energy: -32.054
bonds (distance) P-C4' energy: -32.832
flat angles C4'-P-C4' energy: -34.202
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -37.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.864 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -426.107414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.107414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.107414 (E_RNA)
where:
Base-Base interactions energy: -276.781
where: short stacking energy: -114.383
Base-Backbone interact. energy: -0.551
local terms energy: -148.775483
where:
bonds (distance) C4'-P energy: -36.412
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -16.989
tors. eta vs tors. theta energy: -32.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -360.865975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.865975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.865975 (E_RNA)
where:
Base-Base interactions energy: -229.588
where: short stacking energy: -106.235
Base-Backbone interact. energy: -0.107
local terms energy: -131.171794
where:
bonds (distance) C4'-P energy: -29.128
bonds (distance) P-C4' energy: -24.086
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -26.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -318.934534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.934534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.934534 (E_RNA)
where:
Base-Base interactions energy: -188.664
where: short stacking energy: -87.021
Base-Backbone interact. energy: -0.336
local terms energy: -129.935210
where:
bonds (distance) C4'-P energy: -20.955
bonds (distance) P-C4' energy: -35.350
flat angles C4'-P-C4' energy: -29.709
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -25.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -193.266222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.266222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.266222 (E_RNA)
where:
Base-Base interactions energy: -71.052
where: short stacking energy: -49.427
Base-Backbone interact. energy: -0.455
local terms energy: -121.759351
where:
bonds (distance) C4'-P energy: -31.296
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -152.896739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.896739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.896739 (E_RNA)
where:
Base-Base interactions energy: -52.212
where: short stacking energy: -39.230
Base-Backbone interact. energy: -0.536
local terms energy: -100.148560
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -29.279
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -19.653
tors. eta vs tors. theta energy: 2.357
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: 81
Temperature: 0.900000
Total energy: -529.771176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.771176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.771176 (E_RNA)
where:
Base-Base interactions energy: -365.773
where: short stacking energy: -140.176
Base-Backbone interact. energy: -1.080
local terms energy: -162.918328
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -39.537
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -26.363
tors. eta vs tors. theta energy: -39.718
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: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -497.057124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.057124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.057124 (E_RNA)
where:
Base-Base interactions energy: -347.151
where: short stacking energy: -122.470
Base-Backbone interact. energy: -0.940
local terms energy: -148.966805
where:
bonds (distance) C4'-P energy: -30.538
bonds (distance) P-C4' energy: -34.069
flat angles C4'-P-C4' energy: -34.820
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -35.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -500.021387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.021387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.021387 (E_RNA)
where:
Base-Base interactions energy: -325.314
where: short stacking energy: -149.118
Base-Backbone interact. energy: -0.543
local terms energy: -174.164171
where:
bonds (distance) C4'-P energy: -35.610
bonds (distance) P-C4' energy: -34.913
flat angles C4'-P-C4' energy: -38.444
flat angles P-C4'-P energy: -23.102
tors. eta vs tors. theta energy: -42.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -529.484801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.484801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.484801 (E_RNA)
where:
Base-Base interactions energy: -365.784
where: short stacking energy: -158.706
Base-Backbone interact. energy: -1.540
local terms energy: -162.160677
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -28.691
flat angles C4'-P-C4' energy: -37.043
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -48.618
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: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -465.924328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.924328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.924328 (E_RNA)
where:
Base-Base interactions energy: -310.973
where: short stacking energy: -141.659
Base-Backbone interact. energy: -1.091
local terms energy: -153.860429
where:
bonds (distance) C4'-P energy: -30.156
bonds (distance) P-C4' energy: -38.729
flat angles C4'-P-C4' energy: -32.637
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -36.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -400.066149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.066149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.066149 (E_RNA)
where:
Base-Base interactions energy: -247.578
where: short stacking energy: -118.230
Base-Backbone interact. energy: 0.059
local terms energy: -152.546518
where:
bonds (distance) C4'-P energy: -34.231
bonds (distance) P-C4' energy: -31.166
flat angles C4'-P-C4' energy: -35.413
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -35.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -398.459894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.459894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.459894 (E_RNA)
where:
Base-Base interactions energy: -266.091
where: short stacking energy: -111.710
Base-Backbone interact. energy: -0.279
local terms energy: -132.090557
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -37.157
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -308.558021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.558021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.558021 (E_RNA)
where:
Base-Base interactions energy: -208.248
where: short stacking energy: -77.336
Base-Backbone interact. energy: 0.578
local terms energy: -101.503824
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -29.995
flat angles C4'-P-C4' energy: -23.595
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.616 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -172.643067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.643067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.643067 (E_RNA)
where:
Base-Base interactions energy: -71.588
where: short stacking energy: -44.611
Base-Backbone interact. energy: -0.390
local terms energy: -100.904774
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -30.448
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -23.960
tors. eta vs tors. theta energy: 6.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.240 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -138.934753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.934753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.934753 (E_RNA)
where:
Base-Base interactions energy: -47.455
where: short stacking energy: -47.455
Base-Backbone interact. energy: 0.466
local terms energy: -91.945844
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -35.809
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -540.929194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.929194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.929194 (E_RNA)
where:
Base-Base interactions energy: -372.969
where: short stacking energy: -143.003
Base-Backbone interact. energy: -0.719
local terms energy: -167.241792
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -37.339
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -38.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -495.867197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.867197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.867197 (E_RNA)
where:
Base-Base interactions energy: -343.119
where: short stacking energy: -123.549
Base-Backbone interact. energy: -0.152
local terms energy: -152.596854
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -34.634
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -21.651
tors. eta vs tors. theta energy: -33.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -529.854271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.854271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.854271 (E_RNA)
where:
Base-Base interactions energy: -360.046
where: short stacking energy: -157.375
Base-Backbone interact. energy: -0.198
local terms energy: -169.609655
where:
bonds (distance) C4'-P energy: -37.447
bonds (distance) P-C4' energy: -32.096
flat angles C4'-P-C4' energy: -33.437
flat angles P-C4'-P energy: -25.683
tors. eta vs tors. theta energy: -40.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -448.426411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.426411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.426411 (E_RNA)
where:
Base-Base interactions energy: -296.858
where: short stacking energy: -149.017
Base-Backbone interact. energy: -1.219
local terms energy: -150.348965
where:
bonds (distance) C4'-P energy: -26.479
bonds (distance) P-C4' energy: -26.069
flat angles C4'-P-C4' energy: -37.625
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: -36.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -458.376027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.376027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.376027 (E_RNA)
where:
Base-Base interactions energy: -314.922
where: short stacking energy: -126.095
Base-Backbone interact. energy: 0.067
local terms energy: -143.839115
where:
bonds (distance) C4'-P energy: -32.394
bonds (distance) P-C4' energy: -31.646
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -25.210
tors. eta vs tors. theta energy: -30.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.318 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -373.875781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.875781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.875781 (E_RNA)
where:
Base-Base interactions energy: -236.622
where: short stacking energy: -98.510
Base-Backbone interact. energy: -0.228
local terms energy: -137.025069
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -28.354
flat angles C4'-P-C4' energy: -36.391
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -379.220389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.220389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.220389 (E_RNA)
where:
Base-Base interactions energy: -248.574
where: short stacking energy: -106.778
Base-Backbone interact. energy: -0.739
local terms energy: -129.906927
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -32.209
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -29.432
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: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -253.060396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.060396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.060396 (E_RNA)
where:
Base-Base interactions energy: -125.805
where: short stacking energy: -54.772
Base-Backbone interact. energy: 1.192
local terms energy: -128.515647
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -42.944
flat angles C4'-P-C4' energy: -29.900
flat angles P-C4'-P energy: -23.628
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: 0.068 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -143.161241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.161241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.161241 (E_RNA)
where:
Base-Base interactions energy: -38.864
where: short stacking energy: -30.787
Base-Backbone interact. energy: -0.561
local terms energy: -103.736740
where:
bonds (distance) C4'-P energy: -30.916
bonds (distance) P-C4' energy: -31.524
flat angles C4'-P-C4' energy: -31.576
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: 9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -148.595629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.595629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.595629 (E_RNA)
where:
Base-Base interactions energy: -51.643
where: short stacking energy: -46.303
Base-Backbone interact. energy: -2.098
local terms energy: -94.854801
where:
bonds (distance) C4'-P energy: -32.796
bonds (distance) P-C4' energy: -23.833
flat angles C4'-P-C4' energy: -25.352
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: 8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -549.029055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.029055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.029055 (E_RNA)
where:
Base-Base interactions energy: -370.458
where: short stacking energy: -144.857
Base-Backbone interact. energy: -1.665
local terms energy: -176.905573
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -544.235533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.235533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.235533 (E_RNA)
where:
Base-Base interactions energy: -383.104
where: short stacking energy: -155.955
Base-Backbone interact. energy: -1.296
local terms energy: -159.835694
where:
bonds (distance) C4'-P energy: -31.808
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -36.651
flat angles P-C4'-P energy: -24.313
tors. eta vs tors. theta energy: -42.271
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: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -492.866579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.866579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.866579 (E_RNA)
where:
Base-Base interactions energy: -333.957
where: short stacking energy: -133.414
Base-Backbone interact. energy: -1.610
local terms energy: -157.299318
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -33.084
flat angles C4'-P-C4' energy: -36.737
flat angles P-C4'-P energy: -22.746
tors. eta vs tors. theta energy: -34.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -460.491138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.491138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.491138 (E_RNA)
where:
Base-Base interactions energy: -313.221
where: short stacking energy: -135.176
Base-Backbone interact. energy: -0.345
local terms energy: -146.925420
where:
bonds (distance) C4'-P energy: -32.849
bonds (distance) P-C4' energy: -29.740
flat angles C4'-P-C4' energy: -32.129
flat angles P-C4'-P energy: -21.580
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: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -419.450623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.450623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.450623 (E_RNA)
where:
Base-Base interactions energy: -289.530
where: short stacking energy: -114.549
Base-Backbone interact. energy: -0.075
local terms energy: -129.845849
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -24.423
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -26.667
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: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -409.550768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.550768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.550768 (E_RNA)
where:
Base-Base interactions energy: -272.763
where: short stacking energy: -133.543
Base-Backbone interact. energy: 0.225
local terms energy: -138.205403
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -34.770
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -32.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.193 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -406.430610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.430610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.430610 (E_RNA)
where:
Base-Base interactions energy: -266.369
where: short stacking energy: -111.943
Base-Backbone interact. energy: -0.754
local terms energy: -139.758883
where:
bonds (distance) C4'-P energy: -31.302
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -29.118
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -30.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.451 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -309.746626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.746626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.746626 (E_RNA)
where:
Base-Base interactions energy: -192.431
where: short stacking energy: -88.817
Base-Backbone interact. energy: -0.258
local terms energy: -119.407536
where:
bonds (distance) C4'-P energy: -28.819
bonds (distance) P-C4' energy: -31.492
flat angles C4'-P-C4' energy: -31.138
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.350 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -174.265724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.265724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.265724 (E_RNA)
where:
Base-Base interactions energy: -51.558
where: short stacking energy: -41.746
Base-Backbone interact. energy: 1.766
local terms energy: -127.777042
where:
bonds (distance) C4'-P energy: -34.101
bonds (distance) P-C4' energy: -32.650
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -0.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.303 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -155.448555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.448555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.448555 (E_RNA)
where:
Base-Base interactions energy: -43.537
where: short stacking energy: -40.598
Base-Backbone interact. energy: -0.675
local terms energy: -111.236734
where:
bonds (distance) C4'-P energy: -31.411
bonds (distance) P-C4' energy: -42.209
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -550.348632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.348632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.348632 (E_RNA)
where:
Base-Base interactions energy: -386.118
where: short stacking energy: -156.777
Base-Backbone interact. energy: -0.640
local terms energy: -163.590550
where:
bonds (distance) C4'-P energy: -31.466
bonds (distance) P-C4' energy: -36.594
flat angles C4'-P-C4' energy: -34.177
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -44.512
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: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -554.097836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.097836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.097836 (E_RNA)
where:
Base-Base interactions energy: -378.525
where: short stacking energy: -156.671
Base-Backbone interact. energy: -0.443
local terms energy: -175.129434
where:
bonds (distance) C4'-P energy: -37.602
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -35.426
flat angles P-C4'-P energy: -25.948
tors. eta vs tors. theta energy: -47.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -493.815445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.815445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.815445 (E_RNA)
where:
Base-Base interactions energy: -333.952
where: short stacking energy: -134.960
Base-Backbone interact. energy: 1.409
local terms energy: -161.272369
where:
bonds (distance) C4'-P energy: -36.134
bonds (distance) P-C4' energy: -32.759
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -26.661
tors. eta vs tors. theta energy: -33.444
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: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -479.753306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.753306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.753306 (E_RNA)
where:
Base-Base interactions energy: -315.726
where: short stacking energy: -125.463
Base-Backbone interact. energy: -0.746
local terms energy: -163.280739
where:
bonds (distance) C4'-P energy: -35.770
bonds (distance) P-C4' energy: -32.281
flat angles C4'-P-C4' energy: -36.223
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -38.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -413.338719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.338719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.338719 (E_RNA)
where:
Base-Base interactions energy: -278.282
where: short stacking energy: -138.986
Base-Backbone interact. energy: -0.519
local terms energy: -134.538022
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -31.662
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -31.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -399.792859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.792859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.792859 (E_RNA)
where:
Base-Base interactions energy: -271.055
where: short stacking energy: -107.346
Base-Backbone interact. energy: 3.289
local terms energy: -132.026916
where:
bonds (distance) C4'-P energy: -34.996
bonds (distance) P-C4' energy: -29.202
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -20.600
tors. eta vs tors. theta energy: -18.794
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: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -387.649661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.649661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.649661 (E_RNA)
where:
Base-Base interactions energy: -243.346
where: short stacking energy: -101.515
Base-Backbone interact. energy: -0.436
local terms energy: -143.867562
where:
bonds (distance) C4'-P energy: -33.725
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -19.748
tors. eta vs tors. theta energy: -29.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -256.592564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.592564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.592564 (E_RNA)
where:
Base-Base interactions energy: -140.015
where: short stacking energy: -68.769
Base-Backbone interact. energy: -1.049
local terms energy: -116.735915
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -28.195
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: -12.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.207 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -168.954355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.954355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.954355 (E_RNA)
where:
Base-Base interactions energy: -62.901
where: short stacking energy: -59.486
Base-Backbone interact. energy: 0.273
local terms energy: -107.182781
where:
bonds (distance) C4'-P energy: -31.681
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -23.134
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.856 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -163.471403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.471403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.471403 (E_RNA)
where:
Base-Base interactions energy: -67.463
where: short stacking energy: -54.533
Base-Backbone interact. energy: 0.118
local terms energy: -96.126502
where:
bonds (distance) C4'-P energy: -22.931
bonds (distance) P-C4' energy: -32.285
flat angles C4'-P-C4' energy: -25.090
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: 0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -537.977204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.977204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.977204 (E_RNA)
where:
Base-Base interactions energy: -377.637
where: short stacking energy: -149.214
Base-Backbone interact. energy: 0.019
local terms energy: -160.359073
where:
bonds (distance) C4'-P energy: -35.765
bonds (distance) P-C4' energy: -30.615
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -25.814
tors. eta vs tors. theta energy: -39.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -575.749357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.749357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.749357 (E_RNA)
where:
Base-Base interactions energy: -393.243
where: short stacking energy: -165.940
Base-Backbone interact. energy: -0.721
local terms energy: -181.785150
where:
bonds (distance) C4'-P energy: -37.246
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -39.285
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -46.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -485.961444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.961444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.961444 (E_RNA)
where:
Base-Base interactions energy: -332.795
where: short stacking energy: -137.508
Base-Backbone interact. energy: -0.985
local terms energy: -152.181139
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -36.396
flat angles C4'-P-C4' energy: -39.339
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -34.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -465.732835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.732835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.732835 (E_RNA)
where:
Base-Base interactions energy: -312.682
where: short stacking energy: -115.648
Base-Backbone interact. energy: -0.283
local terms energy: -152.768401
where:
bonds (distance) C4'-P energy: -34.792
bonds (distance) P-C4' energy: -31.793
flat angles C4'-P-C4' energy: -33.544
flat angles P-C4'-P energy: -24.209
tors. eta vs tors. theta energy: -28.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -420.726983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.726983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.726983 (E_RNA)
where:
Base-Base interactions energy: -266.362
where: short stacking energy: -115.725
Base-Backbone interact. energy: -0.069
local terms energy: -154.295882
where:
bonds (distance) C4'-P energy: -28.326
bonds (distance) P-C4' energy: -37.423
flat angles C4'-P-C4' energy: -32.892
flat angles P-C4'-P energy: -26.299
tors. eta vs tors. theta energy: -29.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -403.518619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.518619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.518619 (E_RNA)
where:
Base-Base interactions energy: -269.517
where: short stacking energy: -119.877
Base-Backbone interact. energy: 0.650
local terms energy: -135.224968
where:
bonds (distance) C4'-P energy: -27.900
bonds (distance) P-C4' energy: -35.120
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -33.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.573 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -386.912046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.912046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.912046 (E_RNA)
where:
Base-Base interactions energy: -241.243
where: short stacking energy: -109.543
Base-Backbone interact. energy: -1.952
local terms energy: -143.717766
where:
bonds (distance) C4'-P energy: -30.246
bonds (distance) P-C4' energy: -31.937
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -23.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -272.881637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.881637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.881637 (E_RNA)
where:
Base-Base interactions energy: -155.367
where: short stacking energy: -76.756
Base-Backbone interact. energy: -0.672
local terms energy: -116.842937
where:
bonds (distance) C4'-P energy: -29.495
bonds (distance) P-C4' energy: -28.385
flat angles C4'-P-C4' energy: -26.615
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -162.433435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.433435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.433435 (E_RNA)
where:
Base-Base interactions energy: -56.751
where: short stacking energy: -42.389
Base-Backbone interact. energy: -0.765
local terms energy: -104.950042
where:
bonds (distance) C4'-P energy: -33.351
bonds (distance) P-C4' energy: -30.670
flat angles C4'-P-C4' energy: -32.927
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: 0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.033 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -146.851697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.851697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.851697 (E_RNA)
where:
Base-Base interactions energy: -47.122
where: short stacking energy: -41.019
Base-Backbone interact. energy: 2.071
local terms energy: -101.800688
where:
bonds (distance) C4'-P energy: -28.929
bonds (distance) P-C4' energy: -32.993
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -579.802198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.802198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.802198 (E_RNA)
where:
Base-Base interactions energy: -400.476
where: short stacking energy: -176.720
Base-Backbone interact. energy: -0.772
local terms energy: -178.554026
where:
bonds (distance) C4'-P energy: -29.982
bonds (distance) P-C4' energy: -33.882
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -27.272
tors. eta vs tors. theta energy: -50.937
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: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -532.492982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.492982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.492982 (E_RNA)
where:
Base-Base interactions energy: -370.634
where: short stacking energy: -153.103
Base-Backbone interact. energy: -0.590
local terms energy: -161.268390
where:
bonds (distance) C4'-P energy: -32.060
bonds (distance) P-C4' energy: -30.357
flat angles C4'-P-C4' energy: -33.454
flat angles P-C4'-P energy: -25.948
tors. eta vs tors. theta energy: -39.449
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: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -482.704462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.704462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.704462 (E_RNA)
where:
Base-Base interactions energy: -326.012
where: short stacking energy: -129.946
Base-Backbone interact. energy: -0.784
local terms energy: -155.909129
where:
bonds (distance) C4'-P energy: -27.400
bonds (distance) P-C4' energy: -31.735
flat angles C4'-P-C4' energy: -36.904
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -36.614
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: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -474.315148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.315148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.315148 (E_RNA)
where:
Base-Base interactions energy: -326.140
where: short stacking energy: -139.162
Base-Backbone interact. energy: -0.483
local terms energy: -147.692141
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -35.600
flat angles P-C4'-P energy: -23.336
tors. eta vs tors. theta energy: -37.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -430.250258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.250258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.250258 (E_RNA)
where:
Base-Base interactions energy: -275.979
where: short stacking energy: -128.719
Base-Backbone interact. energy: -0.247
local terms energy: -154.024499
where:
bonds (distance) C4'-P energy: -31.410
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -34.046
flat angles P-C4'-P energy: -19.360
tors. eta vs tors. theta energy: -35.009
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: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -358.178090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.178090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.178090 (E_RNA)
where:
Base-Base interactions energy: -230.116
where: short stacking energy: -102.105
Base-Backbone interact. energy: -0.008
local terms energy: -128.053576
where:
bonds (distance) C4'-P energy: -33.326
bonds (distance) P-C4' energy: -26.117
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -25.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -398.543734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.543734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.543734 (E_RNA)
where:
Base-Base interactions energy: -261.467
where: short stacking energy: -116.582
Base-Backbone interact. energy: -0.158
local terms energy: -136.919270
where:
bonds (distance) C4'-P energy: -29.806
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -30.551
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -24.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -253.916261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.916261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.916261 (E_RNA)
where:
Base-Base interactions energy: -144.216
where: short stacking energy: -70.225
Base-Backbone interact. energy: 1.885
local terms energy: -111.585277
where:
bonds (distance) C4'-P energy: -24.872
bonds (distance) P-C4' energy: -31.818
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -222.812111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.812111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.812111 (E_RNA)
where:
Base-Base interactions energy: -110.583
where: short stacking energy: -68.291
Base-Backbone interact. energy: 0.055
local terms energy: -112.284838
where:
bonds (distance) C4'-P energy: -31.771
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -18.704
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -147.729261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.729261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.729261 (E_RNA)
where:
Base-Base interactions energy: -39.198
where: short stacking energy: -39.898
Base-Backbone interact. energy: -0.900
local terms energy: -107.631661
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -34.485
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -567.472209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.472209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.472209 (E_RNA)
where:
Base-Base interactions energy: -381.042
where: short stacking energy: -150.167
Base-Backbone interact. energy: -0.239
local terms energy: -186.191604
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -35.791
flat angles C4'-P-C4' energy: -38.551
flat angles P-C4'-P energy: -32.592
tors. eta vs tors. theta energy: -46.299
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: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -542.837581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.837581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.837581 (E_RNA)
where:
Base-Base interactions energy: -377.362
where: short stacking energy: -157.921
Base-Backbone interact. energy: -0.289
local terms energy: -165.186787
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -29.917
flat angles C4'-P-C4' energy: -35.416
flat angles P-C4'-P energy: -26.932
tors. eta vs tors. theta energy: -45.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -479.978643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.978643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.978643 (E_RNA)
where:
Base-Base interactions energy: -332.094
where: short stacking energy: -129.192
Base-Backbone interact. energy: 0.192
local terms energy: -148.077126
where:
bonds (distance) C4'-P energy: -28.168
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -32.665
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -34.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -495.872599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.872599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.872599 (E_RNA)
where:
Base-Base interactions energy: -347.073
where: short stacking energy: -158.242
Base-Backbone interact. energy: 0.584
local terms energy: -149.383397
where:
bonds (distance) C4'-P energy: -28.592
bonds (distance) P-C4' energy: -32.486
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -37.813
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: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -450.070092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.070092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.070092 (E_RNA)
where:
Base-Base interactions energy: -295.672
where: short stacking energy: -129.942
Base-Backbone interact. energy: -0.220
local terms energy: -154.178759
where:
bonds (distance) C4'-P energy: -26.434
bonds (distance) P-C4' energy: -32.941
flat angles C4'-P-C4' energy: -33.876
flat angles P-C4'-P energy: -25.275
tors. eta vs tors. theta energy: -35.654
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: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -389.738300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.738300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.738300 (E_RNA)
where:
Base-Base interactions energy: -244.485
where: short stacking energy: -112.554
Base-Backbone interact. energy: 0.235
local terms energy: -145.487897
where:
bonds (distance) C4'-P energy: -34.246
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -34.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -366.658007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.658007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.658007 (E_RNA)
where:
Base-Base interactions energy: -228.797
where: short stacking energy: -94.510
Base-Backbone interact. energy: -1.344
local terms energy: -136.517628
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -27.711
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -23.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -278.103034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.103034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.103034 (E_RNA)
where:
Base-Base interactions energy: -150.162
where: short stacking energy: -75.687
Base-Backbone interact. energy: -0.417
local terms energy: -127.524039
where:
bonds (distance) C4'-P energy: -30.603
bonds (distance) P-C4' energy: -30.467
flat angles C4'-P-C4' energy: -34.140
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -252.375286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.375286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.375286 (E_RNA)
where:
Base-Base interactions energy: -135.193
where: short stacking energy: -74.930
Base-Backbone interact. energy: 6.579
local terms energy: -123.760761
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -151.873518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.873518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.873518 (E_RNA)
where:
Base-Base interactions energy: -55.900
where: short stacking energy: -42.929
Base-Backbone interact. energy: 0.122
local terms energy: -96.095161
where:
bonds (distance) C4'-P energy: -29.614
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: 3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -545.164666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.164666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.164666 (E_RNA)
where:
Base-Base interactions energy: -369.457
where: short stacking energy: -145.799
Base-Backbone interact. energy: 0.550
local terms energy: -176.257363
where:
bonds (distance) C4'-P energy: -34.379
bonds (distance) P-C4' energy: -33.917
flat angles C4'-P-C4' energy: -36.816
flat angles P-C4'-P energy: -26.493
tors. eta vs tors. theta energy: -44.653
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: 10
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -571.991067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.991067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.991067 (E_RNA)
where:
Base-Base interactions energy: -402.314
where: short stacking energy: -168.177
Base-Backbone interact. energy: -0.883
local terms energy: -168.794001
where:
bonds (distance) C4'-P energy: -29.784
bonds (distance) P-C4' energy: -27.871
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -50.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -495.850330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.850330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.850330 (E_RNA)
where:
Base-Base interactions energy: -347.611
where: short stacking energy: -145.885
Base-Backbone interact. energy: 1.407
local terms energy: -149.645962
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -25.328
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -37.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -491.366278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.366278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.366278 (E_RNA)
where:
Base-Base interactions energy: -338.240
where: short stacking energy: -120.690
Base-Backbone interact. energy: -0.397
local terms energy: -152.729663
where:
bonds (distance) C4'-P energy: -32.082
bonds (distance) P-C4' energy: -37.250
flat angles C4'-P-C4' energy: -27.058
flat angles P-C4'-P energy: -23.622
tors. eta vs tors. theta energy: -32.718
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: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -463.233405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.233405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.233405 (E_RNA)
where:
Base-Base interactions energy: -316.830
where: short stacking energy: -149.479
Base-Backbone interact. energy: 1.998
local terms energy: -148.402247
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -30.273
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -36.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -409.916041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.916041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.916041 (E_RNA)
where:
Base-Base interactions energy: -265.088
where: short stacking energy: -106.126
Base-Backbone interact. energy: -0.480
local terms energy: -144.348875
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -27.559
flat angles C4'-P-C4' energy: -33.450
flat angles P-C4'-P energy: -25.812
tors. eta vs tors. theta energy: -33.897
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: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -423.880811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.880811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.880811 (E_RNA)
where:
Base-Base interactions energy: -274.525
where: short stacking energy: -122.445
Base-Backbone interact. energy: -0.152
local terms energy: -149.203362
where:
bonds (distance) C4'-P energy: -30.745
bonds (distance) P-C4' energy: -31.077
flat angles C4'-P-C4' energy: -35.979
flat angles P-C4'-P energy: -18.037
tors. eta vs tors. theta energy: -33.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -274.448083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.448083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.448083 (E_RNA)
where:
Base-Base interactions energy: -141.934
where: short stacking energy: -69.932
Base-Backbone interact. energy: -1.492
local terms energy: -131.021887
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: -30.602
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: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -272.894210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.894210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.894210 (E_RNA)
where:
Base-Base interactions energy: -162.558
where: short stacking energy: -83.051
Base-Backbone interact. energy: -0.197
local terms energy: -110.138601
where:
bonds (distance) C4'-P energy: -28.724
bonds (distance) P-C4' energy: -32.172
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -142.875107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.875107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.875107 (E_RNA)
where:
Base-Base interactions energy: -37.285
where: short stacking energy: -29.563
Base-Backbone interact. energy: 1.654
local terms energy: -107.244081
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -29.934
flat angles C4'-P-C4' energy: -26.226
flat angles P-C4'-P energy: -22.445
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -563.342954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.342954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.342954 (E_RNA)
where:
Base-Base interactions energy: -383.780
where: short stacking energy: -162.708
Base-Backbone interact. energy: -0.018
local terms energy: -179.544771
where:
bonds (distance) C4'-P energy: -37.223
bonds (distance) P-C4' energy: -36.322
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -46.721
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: 10
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -570.102845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.102845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.102845 (E_RNA)
where:
Base-Base interactions energy: -388.211
where: short stacking energy: -159.499
Base-Backbone interact. energy: -1.322
local terms energy: -180.570039
where:
bonds (distance) C4'-P energy: -30.088
bonds (distance) P-C4' energy: -35.495
flat angles C4'-P-C4' energy: -36.498
flat angles P-C4'-P energy: -28.956
tors. eta vs tors. theta energy: -49.533
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: 89
Temperature: 1.000000
Total energy: -515.746052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.746052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.746052 (E_RNA)
where:
Base-Base interactions energy: -354.316
where: short stacking energy: -143.836
Base-Backbone interact. energy: -0.365
local terms energy: -161.065545
where:
bonds (distance) C4'-P energy: -32.208
bonds (distance) P-C4' energy: -30.880
flat angles C4'-P-C4' energy: -34.389
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -39.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -495.368079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.368079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.368079 (E_RNA)
where:
Base-Base interactions energy: -342.538
where: short stacking energy: -127.510
Base-Backbone interact. energy: -1.266
local terms energy: -151.563728
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -32.004
flat angles C4'-P-C4' energy: -27.628
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -41.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -436.032193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.032193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.032193 (E_RNA)
where:
Base-Base interactions energy: -294.771
where: short stacking energy: -127.891
Base-Backbone interact. energy: 1.187
local terms energy: -142.447893
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -30.735
flat angles C4'-P-C4' energy: -30.926
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -34.643
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: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -420.247901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.247901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.247901 (E_RNA)
where:
Base-Base interactions energy: -270.971
where: short stacking energy: -116.899
Base-Backbone interact. energy: -1.969
local terms energy: -147.307685
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -32.606
flat angles C4'-P-C4' energy: -36.013
flat angles P-C4'-P energy: -19.837
tors. eta vs tors. theta energy: -28.228
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: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -401.036511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.036511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.036511 (E_RNA)
where:
Base-Base interactions energy: -254.350
where: short stacking energy: -115.916
Base-Backbone interact. energy: 0.122
local terms energy: -146.807774
where:
bonds (distance) C4'-P energy: -34.379
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -30.771
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -35.716
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: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -239.917964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.917964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.917964 (E_RNA)
where:
Base-Base interactions energy: -127.522
where: short stacking energy: -73.108
Base-Backbone interact. energy: 1.551
local terms energy: -113.946420
where:
bonds (distance) C4'-P energy: -24.833
bonds (distance) P-C4' energy: -33.397
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -239.706544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.706544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.706544 (E_RNA)
where:
Base-Base interactions energy: -125.292
where: short stacking energy: -63.752
Base-Backbone interact. energy: -1.173
local terms energy: -113.242020
where:
bonds (distance) C4'-P energy: -33.291
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -16.160
tors. eta vs tors. theta energy: -0.679
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: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -152.003978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.003978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.003978 (E_RNA)
where:
Base-Base interactions energy: -52.591
where: short stacking energy: -41.263
Base-Backbone interact. energy: -0.353
local terms energy: -99.060803
where:
bonds (distance) C4'-P energy: -30.789
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -29.014
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: 1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -585.242439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.242439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.242439 (E_RNA)
where:
Base-Base interactions energy: -402.619
where: short stacking energy: -165.830
Base-Backbone interact. energy: -0.979
local terms energy: -181.644663
where:
bonds (distance) C4'-P energy: -26.323
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -37.809
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -54.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -548.841408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.841408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.841408 (E_RNA)
where:
Base-Base interactions energy: -371.949
where: short stacking energy: -158.325
Base-Backbone interact. energy: -1.117
local terms energy: -175.775653
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -35.840
flat angles C4'-P-C4' energy: -40.896
flat angles P-C4'-P energy: -23.948
tors. eta vs tors. theta energy: -47.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -513.498128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.498128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.498128 (E_RNA)
where:
Base-Base interactions energy: -354.230
where: short stacking energy: -136.238
Base-Backbone interact. energy: -0.685
local terms energy: -158.582944
where:
bonds (distance) C4'-P energy: -32.404
bonds (distance) P-C4' energy: -30.991
flat angles C4'-P-C4' energy: -35.758
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -41.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -476.917715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.917715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.917715 (E_RNA)
where:
Base-Base interactions energy: -331.464
where: short stacking energy: -129.304
Base-Backbone interact. energy: -0.876
local terms energy: -144.577865
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -32.587
flat angles C4'-P-C4' energy: -35.950
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -448.364869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.364869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.364869 (E_RNA)
where:
Base-Base interactions energy: -299.113
where: short stacking energy: -134.589
Base-Backbone interact. energy: -0.205
local terms energy: -149.046926
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -30.857
flat angles C4'-P-C4' energy: -33.976
flat angles P-C4'-P energy: -21.513
tors. eta vs tors. theta energy: -39.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -429.453886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.453886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.453886 (E_RNA)
where:
Base-Base interactions energy: -280.248
where: short stacking energy: -125.806
Base-Backbone interact. energy: -0.236
local terms energy: -148.969682
where:
bonds (distance) C4'-P energy: -26.348
bonds (distance) P-C4' energy: -32.825
flat angles C4'-P-C4' energy: -28.295
flat angles P-C4'-P energy: -25.689
tors. eta vs tors. theta energy: -35.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -381.705162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.705162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.705162 (E_RNA)
where:
Base-Base interactions energy: -251.988
where: short stacking energy: -101.985
Base-Backbone interact. energy: -0.217
local terms energy: -129.500265
where:
bonds (distance) C4'-P energy: -31.045
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -14.933
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: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -227.869372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.869372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.869372 (E_RNA)
where:
Base-Base interactions energy: -122.576
where: short stacking energy: -81.512
Base-Backbone interact. energy: 1.256
local terms energy: -106.549362
where:
bonds (distance) C4'-P energy: -26.383
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -249.844344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.844344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.844344 (E_RNA)
where:
Base-Base interactions energy: -132.708
where: short stacking energy: -63.598
Base-Backbone interact. energy: -0.216
local terms energy: -116.920060
where:
bonds (distance) C4'-P energy: -29.151
bonds (distance) P-C4' energy: -37.514
flat angles C4'-P-C4' energy: -24.919
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -10.605
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: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -156.134012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.134012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.134012 (E_RNA)
where:
Base-Base interactions energy: -57.188
where: short stacking energy: -24.853
Base-Backbone interact. energy: -2.501
local terms energy: -96.445632
where:
bonds (distance) C4'-P energy: -30.739
bonds (distance) P-C4' energy: -40.006
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: 9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -569.243468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.243468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.243468 (E_RNA)
where:
Base-Base interactions energy: -395.116
where: short stacking energy: -163.073
Base-Backbone interact. energy: -0.711
local terms energy: -173.416852
where:
bonds (distance) C4'-P energy: -30.206
bonds (distance) P-C4' energy: -37.029
flat angles C4'-P-C4' energy: -38.524
flat angles P-C4'-P energy: -20.555
tors. eta vs tors. theta energy: -47.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -536.121438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.121438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.121438 (E_RNA)
where:
Base-Base interactions energy: -380.611
where: short stacking energy: -162.264
Base-Backbone interact. energy: 0.280
local terms energy: -155.790593
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -31.928
flat angles C4'-P-C4' energy: -35.890
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -47.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -501.184299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.184299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.184299 (E_RNA)
where:
Base-Base interactions energy: -353.816
where: short stacking energy: -137.277
Base-Backbone interact. energy: -1.219
local terms energy: -146.149705
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -28.995
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -39.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -478.185164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.185164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.185164 (E_RNA)
where:
Base-Base interactions energy: -326.984
where: short stacking energy: -117.523
Base-Backbone interact. energy: -0.979
local terms energy: -150.221753
where:
bonds (distance) C4'-P energy: -31.150
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -34.002
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -24.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -457.461348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.461348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.461348 (E_RNA)
where:
Base-Base interactions energy: -304.182
where: short stacking energy: -133.107
Base-Backbone interact. energy: 0.285
local terms energy: -153.564470
where:
bonds (distance) C4'-P energy: -32.074
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -35.082
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -36.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -407.288362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.288362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.288362 (E_RNA)
where:
Base-Base interactions energy: -268.813
where: short stacking energy: -101.187
Base-Backbone interact. energy: -0.716
local terms energy: -137.759412
where:
bonds (distance) C4'-P energy: -32.009
bonds (distance) P-C4' energy: -24.998
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -23.768
tors. eta vs tors. theta energy: -28.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -373.615831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.615831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.615831 (E_RNA)
where:
Base-Base interactions energy: -248.938
where: short stacking energy: -108.240
Base-Backbone interact. energy: 5.999
local terms energy: -130.677332
where:
bonds (distance) C4'-P energy: -32.930
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -26.931
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -20.358
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: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -278.869978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.869978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.869978 (E_RNA)
where:
Base-Base interactions energy: -143.127
where: short stacking energy: -72.597
Base-Backbone interact. energy: -0.254
local terms energy: -135.488975
where:
bonds (distance) C4'-P energy: -30.507
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -27.988
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -21.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -227.111710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.111710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.111710 (E_RNA)
where:
Base-Base interactions energy: -115.037
where: short stacking energy: -66.381
Base-Backbone interact. energy: 0.550
local terms energy: -112.625245
where:
bonds (distance) C4'-P energy: -29.199
bonds (distance) P-C4' energy: -28.991
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -143.783912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.783912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.783912 (E_RNA)
where:
Base-Base interactions energy: -41.855
where: short stacking energy: -39.262
Base-Backbone interact. energy: -0.730
local terms energy: -101.198669
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: 0.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -582.300465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.300465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.300465 (E_RNA)
where:
Base-Base interactions energy: -409.690
where: short stacking energy: -167.443
Base-Backbone interact. energy: -0.435
local terms energy: -172.174882
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -38.769
flat angles C4'-P-C4' energy: -33.758
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -53.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -541.062091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.062091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.062091 (E_RNA)
where:
Base-Base interactions energy: -373.805
where: short stacking energy: -141.862
Base-Backbone interact. energy: -0.485
local terms energy: -166.771669
where:
bonds (distance) C4'-P energy: -34.290
bonds (distance) P-C4' energy: -36.323
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -24.520
tors. eta vs tors. theta energy: -37.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -504.262843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.262843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.262843 (E_RNA)
where:
Base-Base interactions energy: -336.569
where: short stacking energy: -145.541
Base-Backbone interact. energy: 0.099
local terms energy: -167.793251
where:
bonds (distance) C4'-P energy: -27.032
bonds (distance) P-C4' energy: -32.902
flat angles C4'-P-C4' energy: -39.703
flat angles P-C4'-P energy: -30.383
tors. eta vs tors. theta energy: -37.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -495.204792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.204792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.204792 (E_RNA)
where:
Base-Base interactions energy: -339.900
where: short stacking energy: -140.767
Base-Backbone interact. energy: 0.773
local terms energy: -156.077520
where:
bonds (distance) C4'-P energy: -25.129
bonds (distance) P-C4' energy: -36.801
flat angles C4'-P-C4' energy: -36.563
flat angles P-C4'-P energy: -21.723
tors. eta vs tors. theta energy: -35.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -460.263050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.263050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.263050 (E_RNA)
where:
Base-Base interactions energy: -293.705
where: short stacking energy: -133.211
Base-Backbone interact. energy: -0.328
local terms energy: -166.230109
where:
bonds (distance) C4'-P energy: -32.781
bonds (distance) P-C4' energy: -28.866
flat angles C4'-P-C4' energy: -34.981
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -43.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -434.213867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.213867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.213867 (E_RNA)
where:
Base-Base interactions energy: -290.228
where: short stacking energy: -129.991
Base-Backbone interact. energy: -0.788
local terms energy: -143.197304
where:
bonds (distance) C4'-P energy: -29.023
bonds (distance) P-C4' energy: -32.688
flat angles C4'-P-C4' energy: -25.287
flat angles P-C4'-P energy: -17.652
tors. eta vs tors. theta energy: -38.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -395.484564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.484564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.484564 (E_RNA)
where:
Base-Base interactions energy: -250.755
where: short stacking energy: -97.868
Base-Backbone interact. energy: 0.511
local terms energy: -145.240848
where:
bonds (distance) C4'-P energy: -39.588
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -34.324
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -25.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -269.975340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.975340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.975340 (E_RNA)
where:
Base-Base interactions energy: -161.728
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.700
local terms energy: -107.547677
where:
bonds (distance) C4'-P energy: -26.439
bonds (distance) P-C4' energy: -32.985
flat angles C4'-P-C4' energy: -27.021
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -176.247382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.247382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.247382 (E_RNA)
where:
Base-Base interactions energy: -64.198
where: short stacking energy: -43.604
Base-Backbone interact. energy: -0.359
local terms energy: -111.690965
where:
bonds (distance) C4'-P energy: -28.932
bonds (distance) P-C4' energy: -37.396
flat angles C4'-P-C4' energy: -27.769
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: 0.494
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: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -199.806036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.806036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.806036 (E_RNA)
where:
Base-Base interactions energy: -102.125
where: short stacking energy: -61.590
Base-Backbone interact. energy: 0.358
local terms energy: -98.039041
where:
bonds (distance) C4'-P energy: -31.501
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -566.513430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.513430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.513430 (E_RNA)
where:
Base-Base interactions energy: -385.715
where: short stacking energy: -170.214
Base-Backbone interact. energy: 0.187
local terms energy: -180.985506
where:
bonds (distance) C4'-P energy: -38.621
bonds (distance) P-C4' energy: -37.555
flat angles C4'-P-C4' energy: -33.451
flat angles P-C4'-P energy: -24.851
tors. eta vs tors. theta energy: -46.508
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: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -552.069642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.069642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.069642 (E_RNA)
where:
Base-Base interactions energy: -380.492
where: short stacking energy: -153.728
Base-Backbone interact. energy: -0.603
local terms energy: -170.974787
where:
bonds (distance) C4'-P energy: -31.779
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -40.582
flat angles P-C4'-P energy: -28.426
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: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -492.533784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.533784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.533784 (E_RNA)
where:
Base-Base interactions energy: -324.375
where: short stacking energy: -151.299
Base-Backbone interact. energy: -0.554
local terms energy: -167.605231
where:
bonds (distance) C4'-P energy: -34.206
bonds (distance) P-C4' energy: -39.222
flat angles C4'-P-C4' energy: -36.323
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -36.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -456.188284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.188284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.188284 (E_RNA)
where:
Base-Base interactions energy: -319.394
where: short stacking energy: -125.081
Base-Backbone interact. energy: 0.868
local terms energy: -137.661796
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -27.628
flat angles C4'-P-C4' energy: -28.696
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -35.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -447.741055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.741055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.741055 (E_RNA)
where:
Base-Base interactions energy: -292.695
where: short stacking energy: -109.815
Base-Backbone interact. energy: -0.984
local terms energy: -154.513927
where:
bonds (distance) C4'-P energy: -30.170
bonds (distance) P-C4' energy: -34.719
flat angles C4'-P-C4' energy: -34.946
flat angles P-C4'-P energy: -23.416
tors. eta vs tors. theta energy: -31.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.452 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -406.801775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.801775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.801775 (E_RNA)
where:
Base-Base interactions energy: -265.784
where: short stacking energy: -129.754
Base-Backbone interact. energy: -0.229
local terms energy: -140.788768
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -34.900
flat angles C4'-P-C4' energy: -29.350
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -35.075
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: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -383.783321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.783321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.783321 (E_RNA)
where:
Base-Base interactions energy: -241.165
where: short stacking energy: -110.623
Base-Backbone interact. energy: -0.944
local terms energy: -141.674487
where:
bonds (distance) C4'-P energy: -29.504
bonds (distance) P-C4' energy: -24.721
flat angles C4'-P-C4' energy: -34.852
flat angles P-C4'-P energy: -24.762
tors. eta vs tors. theta energy: -27.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -273.480767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.480767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.480767 (E_RNA)
where:
Base-Base interactions energy: -150.062
where: short stacking energy: -72.350
Base-Backbone interact. energy: -0.052
local terms energy: -123.366211
where:
bonds (distance) C4'-P energy: -29.304
bonds (distance) P-C4' energy: -37.728
flat angles C4'-P-C4' energy: -28.708
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -11.064
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: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -167.464086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.464086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.464086 (E_RNA)
where:
Base-Base interactions energy: -68.340
where: short stacking energy: -56.040
Base-Backbone interact. energy: -0.849
local terms energy: -99.408995
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -31.267
flat angles C4'-P-C4' energy: -24.390
flat angles P-C4'-P energy: -19.181
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.134 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -160.943968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.943968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.943968 (E_RNA)
where:
Base-Base interactions energy: -81.568
where: short stacking energy: -50.368
Base-Backbone interact. energy: -1.073
local terms energy: -78.302766
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -25.826
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: 2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -570.338674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.338674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.338674 (E_RNA)
where:
Base-Base interactions energy: -390.601
where: short stacking energy: -170.290
Base-Backbone interact. energy: -1.169
local terms energy: -178.568833
where:
bonds (distance) C4'-P energy: -32.992
bonds (distance) P-C4' energy: -34.950
flat angles C4'-P-C4' energy: -33.038
flat angles P-C4'-P energy: -26.000
tors. eta vs tors. theta energy: -51.589
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: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -564.561999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.561999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.561999 (E_RNA)
where:
Base-Base interactions energy: -383.107
where: short stacking energy: -157.360
Base-Backbone interact. energy: -0.316
local terms energy: -181.138048
where:
bonds (distance) C4'-P energy: -33.946
bonds (distance) P-C4' energy: -37.565
flat angles C4'-P-C4' energy: -36.850
flat angles P-C4'-P energy: -24.884
tors. eta vs tors. theta energy: -47.892
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: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -508.349930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.349930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.349930 (E_RNA)
where:
Base-Base interactions energy: -339.043
where: short stacking energy: -150.518
Base-Backbone interact. energy: -1.830
local terms energy: -167.563318
where:
bonds (distance) C4'-P energy: -29.850
bonds (distance) P-C4' energy: -34.710
flat angles C4'-P-C4' energy: -32.698
flat angles P-C4'-P energy: -24.762
tors. eta vs tors. theta energy: -45.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.087 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -456.013084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.013084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.013084 (E_RNA)
where:
Base-Base interactions energy: -293.615
where: short stacking energy: -129.988
Base-Backbone interact. energy: 0.044
local terms energy: -162.441782
where:
bonds (distance) C4'-P energy: -33.453
bonds (distance) P-C4' energy: -35.891
flat angles C4'-P-C4' energy: -37.403
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -38.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -461.077337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.077337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.077337 (E_RNA)
where:
Base-Base interactions energy: -294.931
where: short stacking energy: -146.825
Base-Backbone interact. energy: -0.180
local terms energy: -165.966669
where:
bonds (distance) C4'-P energy: -33.072
bonds (distance) P-C4' energy: -29.919
flat angles C4'-P-C4' energy: -32.518
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -48.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -423.514827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.514827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.514827 (E_RNA)
where:
Base-Base interactions energy: -266.865
where: short stacking energy: -105.076
Base-Backbone interact. energy: 0.444
local terms energy: -157.093873
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -42.442
flat angles C4'-P-C4' energy: -34.411
flat angles P-C4'-P energy: -26.795
tors. eta vs tors. theta energy: -26.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -355.110851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.110851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.110851 (E_RNA)
where:
Base-Base interactions energy: -229.752
where: short stacking energy: -108.173
Base-Backbone interact. energy: -0.224
local terms energy: -125.134774
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -27.276
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -20.005
tors. eta vs tors. theta energy: -27.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -262.595450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.595450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.595450 (E_RNA)
where:
Base-Base interactions energy: -146.149
where: short stacking energy: -89.242
Base-Backbone interact. energy: -0.797
local terms energy: -115.650229
where:
bonds (distance) C4'-P energy: -24.014
bonds (distance) P-C4' energy: -27.256
flat angles C4'-P-C4' energy: -32.584
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -21.074
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: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -157.786161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.786161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.786161 (E_RNA)
where:
Base-Base interactions energy: -53.395
where: short stacking energy: -50.092
Base-Backbone interact. energy: 1.073
local terms energy: -106.009992
where:
bonds (distance) C4'-P energy: -29.870
bonds (distance) P-C4' energy: -28.435
flat angles C4'-P-C4' energy: -28.058
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: 1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.547 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -153.097651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.097651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.097651 (E_RNA)
where:
Base-Base interactions energy: -50.362
where: short stacking energy: -33.141
Base-Backbone interact. energy: 0.400
local terms energy: -103.135610
where:
bonds (distance) C4'-P energy: -27.248
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -566.796456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.796456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.796456 (E_RNA)
where:
Base-Base interactions energy: -387.217
where: short stacking energy: -169.013
Base-Backbone interact. energy: -1.260
local terms energy: -178.319808
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -37.205
flat angles C4'-P-C4' energy: -34.494
flat angles P-C4'-P energy: -24.493
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: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -575.985972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.985972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.985972 (E_RNA)
where:
Base-Base interactions energy: -394.143
where: short stacking energy: -166.500
Base-Backbone interact. energy: -0.227
local terms energy: -181.615845
where:
bonds (distance) C4'-P energy: -34.566
bonds (distance) P-C4' energy: -36.084
flat angles C4'-P-C4' energy: -38.121
flat angles P-C4'-P energy: -22.686
tors. eta vs tors. theta energy: -50.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -507.176506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.176506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.176506 (E_RNA)
where:
Base-Base interactions energy: -338.713
where: short stacking energy: -152.817
Base-Backbone interact. energy: 1.164
local terms energy: -170.211567
where:
bonds (distance) C4'-P energy: -31.928
bonds (distance) P-C4' energy: -33.644
flat angles C4'-P-C4' energy: -34.930
flat angles P-C4'-P energy: -26.157
tors. eta vs tors. theta energy: -43.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.584 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -462.259681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.259681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.259681 (E_RNA)
where:
Base-Base interactions energy: -318.519
where: short stacking energy: -135.234
Base-Backbone interact. energy: -1.180
local terms energy: -142.560969
where:
bonds (distance) C4'-P energy: -33.991
bonds (distance) P-C4' energy: -30.139
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -35.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -453.619552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.619552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.619552 (E_RNA)
where:
Base-Base interactions energy: -299.333
where: short stacking energy: -140.559
Base-Backbone interact. energy: -0.318
local terms energy: -153.968936
where:
bonds (distance) C4'-P energy: -32.030
bonds (distance) P-C4' energy: -37.145
flat angles C4'-P-C4' energy: -25.069
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -38.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -420.670651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.670651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.670651 (E_RNA)
where:
Base-Base interactions energy: -266.118
where: short stacking energy: -119.233
Base-Backbone interact. energy: -1.057
local terms energy: -153.496497
where:
bonds (distance) C4'-P energy: -24.928
bonds (distance) P-C4' energy: -33.320
flat angles C4'-P-C4' energy: -33.751
flat angles P-C4'-P energy: -25.834
tors. eta vs tors. theta energy: -35.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -273.252749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.252749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.252749 (E_RNA)
where:
Base-Base interactions energy: -150.761
where: short stacking energy: -79.124
Base-Backbone interact. energy: -0.103
local terms energy: -126.620263
where:
bonds (distance) C4'-P energy: -25.668
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -29.161
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.231 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -269.596401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.596401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.596401 (E_RNA)
where:
Base-Base interactions energy: -155.032
where: short stacking energy: -85.033
Base-Backbone interact. energy: -0.313
local terms energy: -114.251584
where:
bonds (distance) C4'-P energy: -30.434
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -19.661
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -158.469981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.469981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.469981 (E_RNA)
where:
Base-Base interactions energy: -57.586
where: short stacking energy: -37.326
Base-Backbone interact. energy: 0.181
local terms energy: -101.064740
where:
bonds (distance) C4'-P energy: -26.706
bonds (distance) P-C4' energy: -31.384
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -153.905417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.905417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.905417 (E_RNA)
where:
Base-Base interactions energy: -56.743
where: short stacking energy: -50.423
Base-Backbone interact. energy: 3.749
local terms energy: -100.911077
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -34.335
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: 5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -557.799351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.799351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.799351 (E_RNA)
where:
Base-Base interactions energy: -380.895
where: short stacking energy: -168.470
Base-Backbone interact. energy: -1.029
local terms energy: -175.875767
where:
bonds (distance) C4'-P energy: -36.430
bonds (distance) P-C4' energy: -25.236
flat angles C4'-P-C4' energy: -39.568
flat angles P-C4'-P energy: -25.798
tors. eta vs tors. theta energy: -48.843
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: 10
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -574.564189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.564189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.564189 (E_RNA)
where:
Base-Base interactions energy: -392.894
where: short stacking energy: -157.112
Base-Backbone interact. energy: 0.080
local terms energy: -181.749460
where:
bonds (distance) C4'-P energy: -36.585
bonds (distance) P-C4' energy: -37.868
flat angles C4'-P-C4' energy: -34.764
flat angles P-C4'-P energy: -25.416
tors. eta vs tors. theta energy: -47.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -495.088121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.088121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.088121 (E_RNA)
where:
Base-Base interactions energy: -332.258
where: short stacking energy: -141.468
Base-Backbone interact. energy: -0.895
local terms energy: -162.815715
where:
bonds (distance) C4'-P energy: -32.116
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -38.786
flat angles P-C4'-P energy: -28.790
tors. eta vs tors. theta energy: -34.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.881 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -492.869673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.869673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.869673 (E_RNA)
where:
Base-Base interactions energy: -330.390
where: short stacking energy: -136.237
Base-Backbone interact. energy: -1.890
local terms energy: -160.589600
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -37.846
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -43.118
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: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -455.451477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.451477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.451477 (E_RNA)
where:
Base-Base interactions energy: -304.493
where: short stacking energy: -141.993
Base-Backbone interact. energy: -0.372
local terms energy: -150.586529
where:
bonds (distance) C4'-P energy: -31.828
bonds (distance) P-C4' energy: -25.956
flat angles C4'-P-C4' energy: -33.820
flat angles P-C4'-P energy: -22.356
tors. eta vs tors. theta energy: -36.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -394.907238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.907238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.907238 (E_RNA)
where:
Base-Base interactions energy: -235.654
where: short stacking energy: -117.929
Base-Backbone interact. energy: -0.512
local terms energy: -158.741611
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -41.462
flat angles C4'-P-C4' energy: -33.136
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -36.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -264.982903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.982903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.982903 (E_RNA)
where:
Base-Base interactions energy: -158.591
where: short stacking energy: -90.821
Base-Backbone interact. energy: 0.111
local terms energy: -106.503544
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -26.828
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -261.885673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.885673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.885673 (E_RNA)
where:
Base-Base interactions energy: -146.826
where: short stacking energy: -77.371
Base-Backbone interact. energy: -0.965
local terms energy: -114.094663
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -26.470
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -15.234
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -160.958505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.958505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.958505 (E_RNA)
where:
Base-Base interactions energy: -52.341
where: short stacking energy: -51.411
Base-Backbone interact. energy: -0.359
local terms energy: -108.259189
where:
bonds (distance) C4'-P energy: -30.309
bonds (distance) P-C4' energy: -32.093
flat angles C4'-P-C4' energy: -29.020
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -166.113142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.113142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.113142 (E_RNA)
where:
Base-Base interactions energy: -65.194
where: short stacking energy: -42.531
Base-Backbone interact. energy: -1.093
local terms energy: -99.826096
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -32.657
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -21.559
tors. eta vs tors. theta energy: 4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -561.176349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.176349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.176349 (E_RNA)
where:
Base-Base interactions energy: -390.796
where: short stacking energy: -159.066
Base-Backbone interact. energy: -0.940
local terms energy: -169.440736
where:
bonds (distance) C4'-P energy: -28.031
bonds (distance) P-C4' energy: -31.346
flat angles C4'-P-C4' energy: -37.942
flat angles P-C4'-P energy: -26.317
tors. eta vs tors. theta energy: -45.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -571.906111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.906111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.906111 (E_RNA)
where:
Base-Base interactions energy: -390.416
where: short stacking energy: -159.104
Base-Backbone interact. energy: -0.303
local terms energy: -181.186527
where:
bonds (distance) C4'-P energy: -34.562
bonds (distance) P-C4' energy: -37.795
flat angles C4'-P-C4' energy: -35.593
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -49.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -487.926333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.926333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.926333 (E_RNA)
where:
Base-Base interactions energy: -323.078
where: short stacking energy: -138.921
Base-Backbone interact. energy: -1.010
local terms energy: -163.839142
where:
bonds (distance) C4'-P energy: -30.183
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -32.356
flat angles P-C4'-P energy: -27.580
tors. eta vs tors. theta energy: -37.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -475.508703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.508703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.508703 (E_RNA)
where:
Base-Base interactions energy: -318.492
where: short stacking energy: -140.666
Base-Backbone interact. energy: -0.620
local terms energy: -156.397078
where:
bonds (distance) C4'-P energy: -29.667
bonds (distance) P-C4' energy: -30.411
flat angles C4'-P-C4' energy: -35.897
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -36.552
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: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -434.070360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.070360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.070360 (E_RNA)
where:
Base-Base interactions energy: -285.313
where: short stacking energy: -113.133
Base-Backbone interact. energy: -0.326
local terms energy: -148.430899
where:
bonds (distance) C4'-P energy: -32.637
bonds (distance) P-C4' energy: -31.026
flat angles C4'-P-C4' energy: -39.276
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -31.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -422.637363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.637363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.637363 (E_RNA)
where:
Base-Base interactions energy: -272.441
where: short stacking energy: -128.401
Base-Backbone interact. energy: -1.029
local terms energy: -149.166665
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -34.367
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -38.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -296.966445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.966445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.966445 (E_RNA)
where:
Base-Base interactions energy: -168.569
where: short stacking energy: -76.351
Base-Backbone interact. energy: -0.624
local terms energy: -127.773373
where:
bonds (distance) C4'-P energy: -30.093
bonds (distance) P-C4' energy: -34.871
flat angles C4'-P-C4' energy: -29.046
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -283.042549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.042549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.042549 (E_RNA)
where:
Base-Base interactions energy: -160.479
where: short stacking energy: -76.044
Base-Backbone interact. energy: -1.157
local terms energy: -121.406865
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -36.888
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -18.380
tors. eta vs tors. theta energy: -8.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -163.789572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.789572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.789572 (E_RNA)
where:
Base-Base interactions energy: -61.538
where: short stacking energy: -52.040
Base-Backbone interact. energy: -0.805
local terms energy: -102.009807
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -26.932
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -20.651
tors. eta vs tors. theta energy: -6.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.563 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -155.884166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.884166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.884166 (E_RNA)
where:
Base-Base interactions energy: -57.810
where: short stacking energy: -45.894
Base-Backbone interact. energy: -0.920
local terms energy: -97.153876
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -28.809
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: 7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -583.669256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.669256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.669256 (E_RNA)
where:
Base-Base interactions energy: -400.586
where: short stacking energy: -164.673
Base-Backbone interact. energy: -0.367
local terms energy: -182.716095
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -37.886
flat angles C4'-P-C4' energy: -39.118
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -48.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -567.767244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.767244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.767244 (E_RNA)
where:
Base-Base interactions energy: -390.855
where: short stacking energy: -159.362
Base-Backbone interact. energy: -0.335
local terms energy: -177.063554
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -34.390
flat angles C4'-P-C4' energy: -38.217
flat angles P-C4'-P energy: -25.565
tors. eta vs tors. theta energy: -48.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.486 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -475.157580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.157580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.157580 (E_RNA)
where:
Base-Base interactions energy: -326.298
where: short stacking energy: -148.848
Base-Backbone interact. energy: -2.137
local terms energy: -147.132550
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -36.310
flat angles C4'-P-C4' energy: -26.120
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -35.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.410 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -435.796686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.796686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.796686 (E_RNA)
where:
Base-Base interactions energy: -290.145
where: short stacking energy: -142.496
Base-Backbone interact. energy: 0.023
local terms energy: -145.674571
where:
bonds (distance) C4'-P energy: -26.389
bonds (distance) P-C4' energy: -30.919
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -36.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -438.336716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.336716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.336716 (E_RNA)
where:
Base-Base interactions energy: -281.543
where: short stacking energy: -115.890
Base-Backbone interact. energy: -1.495
local terms energy: -155.298631
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -35.293
flat angles C4'-P-C4' energy: -31.363
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -31.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -436.921943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.921943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.921943 (E_RNA)
where:
Base-Base interactions energy: -294.354
where: short stacking energy: -114.342
Base-Backbone interact. energy: 1.136
local terms energy: -143.703924
where:
bonds (distance) C4'-P energy: -31.427
bonds (distance) P-C4' energy: -32.220
flat angles C4'-P-C4' energy: -30.475
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -33.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -320.074317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.074317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.074317 (E_RNA)
where:
Base-Base interactions energy: -205.167
where: short stacking energy: -101.493
Base-Backbone interact. energy: -0.351
local terms energy: -114.556908
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -30.077
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -245.527664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.527664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.527664 (E_RNA)
where:
Base-Base interactions energy: -142.187
where: short stacking energy: -78.417
Base-Backbone interact. energy: 0.594
local terms energy: -103.934386
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -27.454
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -171.482915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.482915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.482915 (E_RNA)
where:
Base-Base interactions energy: -66.945
where: short stacking energy: -44.266
Base-Backbone interact. energy: 3.451
local terms energy: -107.988757
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -37.371
flat angles C4'-P-C4' energy: -25.901
flat angles P-C4'-P energy: -17.613
tors. eta vs tors. theta energy: 3.540
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: 98
Temperature: 1.350000
Total energy: -150.281023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.281023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.281023 (E_RNA)
where:
Base-Base interactions energy: -55.747
where: short stacking energy: -50.562
Base-Backbone interact. energy: 1.141
local terms energy: -95.675366
where:
bonds (distance) C4'-P energy: -27.442
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -27.048
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -580.930068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.930068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.930068 (E_RNA)
where:
Base-Base interactions energy: -392.643
where: short stacking energy: -162.812
Base-Backbone interact. energy: -0.171
local terms energy: -188.116464
where:
bonds (distance) C4'-P energy: -37.217
bonds (distance) P-C4' energy: -37.748
flat angles C4'-P-C4' energy: -40.135
flat angles P-C4'-P energy: -23.988
tors. eta vs tors. theta energy: -49.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -557.281709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.281709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.281709 (E_RNA)
where:
Base-Base interactions energy: -388.441
where: short stacking energy: -152.977
Base-Backbone interact. energy: -0.717
local terms energy: -168.124028
where:
bonds (distance) C4'-P energy: -31.126
bonds (distance) P-C4' energy: -33.923
flat angles C4'-P-C4' energy: -37.411
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: -46.275
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -456.674238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.674238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.674238 (E_RNA)
where:
Base-Base interactions energy: -300.147
where: short stacking energy: -130.048
Base-Backbone interact. energy: -0.693
local terms energy: -155.834071
where:
bonds (distance) C4'-P energy: -33.483
bonds (distance) P-C4' energy: -31.996
flat angles C4'-P-C4' energy: -35.769
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -32.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -470.415310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.415310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.415310 (E_RNA)
where:
Base-Base interactions energy: -322.204
where: short stacking energy: -135.112
Base-Backbone interact. energy: -0.561
local terms energy: -147.649902
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -24.968
flat angles C4'-P-C4' energy: -32.730
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -35.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -433.013554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.013554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.013554 (E_RNA)
where:
Base-Base interactions energy: -286.905
where: short stacking energy: -133.910
Base-Backbone interact. energy: 2.493
local terms energy: -148.601127
where:
bonds (distance) C4'-P energy: -32.011
bonds (distance) P-C4' energy: -29.689
flat angles C4'-P-C4' energy: -34.940
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -36.722
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: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -426.235670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.235670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.235670 (E_RNA)
where:
Base-Base interactions energy: -292.720
where: short stacking energy: -117.669
Base-Backbone interact. energy: -0.020
local terms energy: -133.495646
where:
bonds (distance) C4'-P energy: -28.477
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -35.967
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: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -306.930012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.930012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.930012 (E_RNA)
where:
Base-Base interactions energy: -195.910
where: short stacking energy: -83.022
Base-Backbone interact. energy: 1.263
local terms energy: -112.283213
where:
bonds (distance) C4'-P energy: -22.972
bonds (distance) P-C4' energy: -32.386
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -272.137700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.137700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.137700 (E_RNA)
where:
Base-Base interactions energy: -151.259
where: short stacking energy: -68.506
Base-Backbone interact. energy: -0.737
local terms energy: -120.141344
where:
bonds (distance) C4'-P energy: -25.759
bonds (distance) P-C4' energy: -38.337
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -16.779
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: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -179.485571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.485571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.485571 (E_RNA)
where:
Base-Base interactions energy: -99.924
where: short stacking energy: -46.246
Base-Backbone interact. energy: -0.660
local terms energy: -78.901024
where:
bonds (distance) C4'-P energy: -36.444
bonds (distance) P-C4' energy: -27.070
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -2.862
tors. eta vs tors. theta energy: 7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -185.071021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.071021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.071021 (E_RNA)
where:
Base-Base interactions energy: -86.203
where: short stacking energy: -39.512
Base-Backbone interact. energy: -1.530
local terms energy: -97.694333
where:
bonds (distance) C4'-P energy: -33.915
bonds (distance) P-C4' energy: -29.762
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: 3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.356 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -571.576449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.576449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.576449 (E_RNA)
where:
Base-Base interactions energy: -406.624
where: short stacking energy: -174.208
Base-Backbone interact. energy: -0.876
local terms energy: -164.076111
where:
bonds (distance) C4'-P energy: -24.710
bonds (distance) P-C4' energy: -35.790
flat angles C4'-P-C4' energy: -33.364
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -46.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -553.716629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.716629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.716629 (E_RNA)
where:
Base-Base interactions energy: -393.767
where: short stacking energy: -146.280
Base-Backbone interact. energy: -1.419
local terms energy: -158.530431
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -30.628
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -44.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -510.992192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.992192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.992192 (E_RNA)
where:
Base-Base interactions energy: -339.365
where: short stacking energy: -137.581
Base-Backbone interact. energy: -0.248
local terms energy: -171.379926
where:
bonds (distance) C4'-P energy: -33.132
bonds (distance) P-C4' energy: -39.312
flat angles C4'-P-C4' energy: -34.011
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -42.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -438.252201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.252201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.252201 (E_RNA)
where:
Base-Base interactions energy: -287.884
where: short stacking energy: -128.869
Base-Backbone interact. energy: -0.424
local terms energy: -149.944290
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -32.397
flat angles C4'-P-C4' energy: -29.588
flat angles P-C4'-P energy: -29.378
tors. eta vs tors. theta energy: -31.287
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: 5, replica: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -423.546980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.546980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.546980 (E_RNA)
where:
Base-Base interactions energy: -270.940
where: short stacking energy: -134.396
Base-Backbone interact. energy: -1.176
local terms energy: -151.431565
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -33.512
flat angles C4'-P-C4' energy: -36.647
flat angles P-C4'-P energy: -17.306
tors. eta vs tors. theta energy: -30.650
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: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -403.171031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.171031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.171031 (E_RNA)
where:
Base-Base interactions energy: -255.587
where: short stacking energy: -101.244
Base-Backbone interact. energy: -1.424
local terms energy: -146.159239
where:
bonds (distance) C4'-P energy: -30.552
bonds (distance) P-C4' energy: -35.793
flat angles C4'-P-C4' energy: -32.774
flat angles P-C4'-P energy: -24.688
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -305.292926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.292926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.292926 (E_RNA)
where:
Base-Base interactions energy: -168.469
where: short stacking energy: -96.962
Base-Backbone interact. energy: 0.057
local terms energy: -136.880620
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -37.518
flat angles C4'-P-C4' energy: -33.490
flat angles P-C4'-P energy: -17.864
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: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -342.503060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.503060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.503060 (E_RNA)
where:
Base-Base interactions energy: -225.831
where: short stacking energy: -90.454
Base-Backbone interact. energy: -1.500
local terms energy: -115.171515
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -32.954
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -169.806705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.806705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.806705 (E_RNA)
where:
Base-Base interactions energy: -81.715
where: short stacking energy: -41.571
Base-Backbone interact. energy: 1.303
local terms energy: -89.393982
where:
bonds (distance) C4'-P energy: -25.043
bonds (distance) P-C4' energy: -31.066
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: 3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -155.208309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.208309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.208309 (E_RNA)
where:
Base-Base interactions energy: -81.566
where: short stacking energy: -48.764
Base-Backbone interact. energy: -0.387
local terms energy: -73.254850
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: 1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -577.952446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.952446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.952446 (E_RNA)
where:
Base-Base interactions energy: -389.461
where: short stacking energy: -171.871
Base-Backbone interact. energy: -0.892
local terms energy: -187.599160
where:
bonds (distance) C4'-P energy: -37.520
bonds (distance) P-C4' energy: -36.759
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -50.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -534.642556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.642556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.642556 (E_RNA)
where:
Base-Base interactions energy: -375.795
where: short stacking energy: -145.313
Base-Backbone interact. energy: -1.717
local terms energy: -157.130615
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -36.602
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -33.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -512.948546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.948546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.948546 (E_RNA)
where:
Base-Base interactions energy: -359.012
where: short stacking energy: -143.696
Base-Backbone interact. energy: -0.781
local terms energy: -153.155481
where:
bonds (distance) C4'-P energy: -34.035
bonds (distance) P-C4' energy: -32.727
flat angles C4'-P-C4' energy: -23.589
flat angles P-C4'-P energy: -22.692
tors. eta vs tors. theta energy: -40.112
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: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -428.011293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.011293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.011293 (E_RNA)
where:
Base-Base interactions energy: -282.708
where: short stacking energy: -126.664
Base-Backbone interact. energy: -0.641
local terms energy: -144.661969
where:
bonds (distance) C4'-P energy: -24.497
bonds (distance) P-C4' energy: -39.060
flat angles C4'-P-C4' energy: -29.252
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -30.121
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: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -382.607983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.607983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.607983 (E_RNA)
where:
Base-Base interactions energy: -247.504
where: short stacking energy: -103.198
Base-Backbone interact. energy: 0.427
local terms energy: -135.530464
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -38.344
flat angles C4'-P-C4' energy: -37.034
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -287.993514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.993514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.993514 (E_RNA)
where:
Base-Base interactions energy: -158.695
where: short stacking energy: -78.227
Base-Backbone interact. energy: -0.206
local terms energy: -129.092104
where:
bonds (distance) C4'-P energy: -24.876
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -34.344
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -421.436187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.436187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.436187 (E_RNA)
where:
Base-Base interactions energy: -282.441
where: short stacking energy: -109.328
Base-Backbone interact. energy: -0.608
local terms energy: -138.388098
where:
bonds (distance) C4'-P energy: -30.442
bonds (distance) P-C4' energy: -27.581
flat angles C4'-P-C4' energy: -30.949
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -30.584
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: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -335.443917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.443917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.443917 (E_RNA)
where:
Base-Base interactions energy: -225.790
where: short stacking energy: -100.674
Base-Backbone interact. energy: 1.143
local terms energy: -110.796895
where:
bonds (distance) C4'-P energy: -23.129
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -25.746
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -206.092169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.092169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.092169 (E_RNA)
where:
Base-Base interactions energy: -86.275
where: short stacking energy: -60.808
Base-Backbone interact. energy: 0.407
local terms energy: -123.373638
where:
bonds (distance) C4'-P energy: -36.337
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -30.567
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.149 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -147.209407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.209407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.209407 (E_RNA)
where:
Base-Base interactions energy: -53.117
where: short stacking energy: -50.201
Base-Backbone interact. energy: -0.052
local terms energy: -94.040536
where:
bonds (distance) C4'-P energy: -31.760
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -26.042
flat angles P-C4'-P energy: -20.233
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: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -570.097156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.097156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.097156 (E_RNA)
where:
Base-Base interactions energy: -387.885
where: short stacking energy: -167.711
Base-Backbone interact. energy: -0.401
local terms energy: -181.810320
where:
bonds (distance) C4'-P energy: -32.185
bonds (distance) P-C4' energy: -34.837
flat angles C4'-P-C4' energy: -39.233
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -46.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -541.599185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.599185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.599185 (E_RNA)
where:
Base-Base interactions energy: -378.361
where: short stacking energy: -135.831
Base-Backbone interact. energy: -1.300
local terms energy: -161.937694
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -38.318
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: -31.278
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: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -504.326602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.326602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.326602 (E_RNA)
where:
Base-Base interactions energy: -350.366
where: short stacking energy: -153.353
Base-Backbone interact. energy: -0.392
local terms energy: -153.568029
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -34.240
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: -45.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -484.438170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.438170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.438170 (E_RNA)
where:
Base-Base interactions energy: -333.289
where: short stacking energy: -141.709
Base-Backbone interact. energy: 0.011
local terms energy: -152.638714
where:
bonds (distance) C4'-P energy: -32.739
bonds (distance) P-C4' energy: -26.060
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -41.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.478 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -380.698793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.698793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.698793 (E_RNA)
where:
Base-Base interactions energy: -239.292
where: short stacking energy: -109.645
Base-Backbone interact. energy: 0.901
local terms energy: -142.307440
where:
bonds (distance) C4'-P energy: -34.709
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -39.124
flat angles P-C4'-P energy: -18.115
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -285.489303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.489303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.489303 (E_RNA)
where:
Base-Base interactions energy: -160.546
where: short stacking energy: -82.084
Base-Backbone interact. energy: -1.353
local terms energy: -123.589938
where:
bonds (distance) C4'-P energy: -34.047
bonds (distance) P-C4' energy: -32.525
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -350.542151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.542151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.542151 (E_RNA)
where:
Base-Base interactions energy: -223.615
where: short stacking energy: -75.137
Base-Backbone interact. energy: -0.484
local terms energy: -126.443931
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -32.470
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -20.392
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: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -308.967654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.967654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.967654 (E_RNA)
where:
Base-Base interactions energy: -194.457
where: short stacking energy: -79.104
Base-Backbone interact. energy: -0.852
local terms energy: -113.659071
where:
bonds (distance) C4'-P energy: -25.932
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -163.880537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.880537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.880537 (E_RNA)
where:
Base-Base interactions energy: -65.896
where: short stacking energy: -43.393
Base-Backbone interact. energy: 0.618
local terms energy: -98.602155
where:
bonds (distance) C4'-P energy: -30.955
bonds (distance) P-C4' energy: -25.939
flat angles C4'-P-C4' energy: -27.847
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -0.334
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: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -149.366961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.366961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.366961 (E_RNA)
where:
Base-Base interactions energy: -69.581
where: short stacking energy: -39.455
Base-Backbone interact. energy: 0.033
local terms energy: -79.819317
where:
bonds (distance) C4'-P energy: -26.080
bonds (distance) P-C4' energy: -34.521
flat angles C4'-P-C4' energy: -6.060
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: 2.910
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: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -575.211065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.211065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.211065 (E_RNA)
where:
Base-Base interactions energy: -396.258
where: short stacking energy: -161.018
Base-Backbone interact. energy: 1.450
local terms energy: -180.402444
where:
bonds (distance) C4'-P energy: -30.412
bonds (distance) P-C4' energy: -36.980
flat angles C4'-P-C4' energy: -36.386
flat angles P-C4'-P energy: -28.666
tors. eta vs tors. theta energy: -47.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -547.685773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.685773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.685773 (E_RNA)
where:
Base-Base interactions energy: -376.437
where: short stacking energy: -141.767
Base-Backbone interact. energy: -0.575
local terms energy: -170.673088
where:
bonds (distance) C4'-P energy: -34.456
bonds (distance) P-C4' energy: -38.009
flat angles C4'-P-C4' energy: -36.577
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -40.725
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: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -529.895322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.895322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.895322 (E_RNA)
where:
Base-Base interactions energy: -365.598
where: short stacking energy: -144.106
Base-Backbone interact. energy: -0.697
local terms energy: -163.600425
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -28.682
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -25.208
tors. eta vs tors. theta energy: -43.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -485.991137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.991137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.991137 (E_RNA)
where:
Base-Base interactions energy: -334.002
where: short stacking energy: -139.218
Base-Backbone interact. energy: -0.647
local terms energy: -151.707451
where:
bonds (distance) C4'-P energy: -36.503
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -33.588
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.365 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -404.176764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.176764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.176764 (E_RNA)
where:
Base-Base interactions energy: -268.220
where: short stacking energy: -133.696
Base-Backbone interact. energy: 0.018
local terms energy: -135.974737
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -25.812
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: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -375.543250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.543250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.543250 (E_RNA)
where:
Base-Base interactions energy: -237.906
where: short stacking energy: -97.327
Base-Backbone interact. energy: 0.988
local terms energy: -138.625394
where:
bonds (distance) C4'-P energy: -29.071
bonds (distance) P-C4' energy: -25.281
flat angles C4'-P-C4' energy: -34.645
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: -24.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -293.146775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.146775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.146775 (E_RNA)
where:
Base-Base interactions energy: -166.088
where: short stacking energy: -83.670
Base-Backbone interact. energy: 0.146
local terms energy: -127.652167
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -35.701
flat angles C4'-P-C4' energy: -30.223
flat angles P-C4'-P energy: -21.517
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: 0.448 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -280.652528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.652528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.652528 (E_RNA)
where:
Base-Base interactions energy: -148.927
where: short stacking energy: -74.705
Base-Backbone interact. energy: -1.419
local terms energy: -130.306809
where:
bonds (distance) C4'-P energy: -26.112
bonds (distance) P-C4' energy: -38.040
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -155.975382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.975382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.975382 (E_RNA)
where:
Base-Base interactions energy: -58.452
where: short stacking energy: -49.604
Base-Backbone interact. energy: -0.912
local terms energy: -96.611570
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -26.276
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: 4.846
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: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -164.337498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.337498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.337498 (E_RNA)
where:
Base-Base interactions energy: -65.616
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.554
local terms energy: -98.167758
where:
bonds (distance) C4'-P energy: -23.797
bonds (distance) P-C4' energy: -31.825
flat angles C4'-P-C4' energy: -25.528
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: 1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -568.749915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.749915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.749915 (E_RNA)
where:
Base-Base interactions energy: -396.183
where: short stacking energy: -154.811
Base-Backbone interact. energy: -0.168
local terms energy: -172.399317
where:
bonds (distance) C4'-P energy: -34.784
bonds (distance) P-C4' energy: -30.436
flat angles C4'-P-C4' energy: -40.271
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -42.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -536.180557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.180557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.180557 (E_RNA)
where:
Base-Base interactions energy: -358.177
where: short stacking energy: -154.351
Base-Backbone interact. energy: -0.991
local terms energy: -177.012651
where:
bonds (distance) C4'-P energy: -31.546
bonds (distance) P-C4' energy: -38.076
flat angles C4'-P-C4' energy: -38.601
flat angles P-C4'-P energy: -27.990
tors. eta vs tors. theta energy: -40.799
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: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -510.825890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.825890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.825890 (E_RNA)
where:
Base-Base interactions energy: -350.132
where: short stacking energy: -133.807
Base-Backbone interact. energy: -0.990
local terms energy: -159.703699
where:
bonds (distance) C4'-P energy: -28.288
bonds (distance) P-C4' energy: -31.391
flat angles C4'-P-C4' energy: -39.190
flat angles P-C4'-P energy: -22.150
tors. eta vs tors. theta energy: -38.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -508.467465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.467465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.467465 (E_RNA)
where:
Base-Base interactions energy: -352.740
where: short stacking energy: -150.505
Base-Backbone interact. energy: -1.663
local terms energy: -154.064704
where:
bonds (distance) C4'-P energy: -36.624
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -28.595
tors. eta vs tors. theta energy: -35.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -404.481159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.481159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.481159 (E_RNA)
where:
Base-Base interactions energy: -268.712
where: short stacking energy: -101.744
Base-Backbone interact. energy: -0.726
local terms energy: -135.043738
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -35.376
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -21.779
tors. eta vs tors. theta energy: -21.441
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: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -381.840511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.840511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.840511 (E_RNA)
where:
Base-Base interactions energy: -244.689
where: short stacking energy: -106.494
Base-Backbone interact. energy: -0.105
local terms energy: -137.046480
where:
bonds (distance) C4'-P energy: -25.637
bonds (distance) P-C4' energy: -33.068
flat angles C4'-P-C4' energy: -34.498
flat angles P-C4'-P energy: -19.529
tors. eta vs tors. theta energy: -24.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -294.511692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.511692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.511692 (E_RNA)
where:
Base-Base interactions energy: -173.674
where: short stacking energy: -79.392
Base-Backbone interact. energy: -0.874
local terms energy: -120.236368
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -32.558
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -12.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.273 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -271.943247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.943247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.943247 (E_RNA)
where:
Base-Base interactions energy: -155.187
where: short stacking energy: -74.602
Base-Backbone interact. energy: -0.341
local terms energy: -116.415527
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -34.016
flat angles C4'-P-C4' energy: -35.525
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: -16.110
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: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -167.966062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.966062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.966062 (E_RNA)
where:
Base-Base interactions energy: -66.606
where: short stacking energy: -39.558
Base-Backbone interact. energy: 1.225
local terms energy: -102.584506
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -34.205
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: 1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -154.918709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.918709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.918709 (E_RNA)
where:
Base-Base interactions energy: -57.448
where: short stacking energy: -41.377
Base-Backbone interact. energy: -0.001
local terms energy: -97.469319
where:
bonds (distance) C4'-P energy: -27.901
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -5.438
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: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -571.125120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.125120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.125120 (E_RNA)
where:
Base-Base interactions energy: -389.634
where: short stacking energy: -162.751
Base-Backbone interact. energy: -0.501
local terms energy: -180.989759
where:
bonds (distance) C4'-P energy: -33.521
bonds (distance) P-C4' energy: -34.120
flat angles C4'-P-C4' energy: -37.521
flat angles P-C4'-P energy: -31.098
tors. eta vs tors. theta energy: -44.730
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: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -549.729602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.729602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.729602 (E_RNA)
where:
Base-Base interactions energy: -381.673
where: short stacking energy: -152.310
Base-Backbone interact. energy: -1.284
local terms energy: -167.188913
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -37.386
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -24.609
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: 0.417 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -498.636634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.636634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.636634 (E_RNA)
where:
Base-Base interactions energy: -343.615
where: short stacking energy: -135.710
Base-Backbone interact. energy: 0.924
local terms energy: -155.945295
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -40.340
flat angles C4'-P-C4' energy: -38.531
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -33.301
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: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -478.963052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.963052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.963052 (E_RNA)
where:
Base-Base interactions energy: -318.495
where: short stacking energy: -120.813
Base-Backbone interact. energy: -1.137
local terms energy: -159.330972
where:
bonds (distance) C4'-P energy: -32.038
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -30.985
tors. eta vs tors. theta energy: -35.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -420.012336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.012336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.012336 (E_RNA)
where:
Base-Base interactions energy: -284.768
where: short stacking energy: -128.029
Base-Backbone interact. energy: -1.486
local terms energy: -133.758670
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -25.530
flat angles C4'-P-C4' energy: -32.763
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -30.021
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: 105
Temperature: 1.150000
Total energy: -410.263171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.263171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.263171 (E_RNA)
where:
Base-Base interactions energy: -265.897
where: short stacking energy: -113.254
Base-Backbone interact. energy: -1.146
local terms energy: -143.220145
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -24.443
flat angles P-C4'-P energy: -26.309
tors. eta vs tors. theta energy: -32.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -307.309473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.309473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.309473 (E_RNA)
where:
Base-Base interactions energy: -173.893
where: short stacking energy: -96.325
Base-Backbone interact. energy: 1.283
local terms energy: -134.698693
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -32.427
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -266.200084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.200084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.200084 (E_RNA)
where:
Base-Base interactions energy: -164.472
where: short stacking energy: -85.197
Base-Backbone interact. energy: 3.066
local terms energy: -104.794360
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -35.217
flat angles C4'-P-C4' energy: -22.382
flat angles P-C4'-P energy: -11.345
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: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -165.807780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.807780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.807780 (E_RNA)
where:
Base-Base interactions energy: -67.910
where: short stacking energy: -47.143
Base-Backbone interact. energy: 0.422
local terms energy: -98.319730
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: 1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -155.756530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.756530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.756530 (E_RNA)
where:
Base-Base interactions energy: -70.160
where: short stacking energy: -47.870
Base-Backbone interact. energy: 0.052
local terms energy: -85.648618
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -26.097
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -18.579
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -583.186896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.186896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.186896 (E_RNA)
where:
Base-Base interactions energy: -404.239
where: short stacking energy: -169.187
Base-Backbone interact. energy: -0.432
local terms energy: -178.515612
where:
bonds (distance) C4'-P energy: -36.368
bonds (distance) P-C4' energy: -29.450
flat angles C4'-P-C4' energy: -35.750
flat angles P-C4'-P energy: -28.858
tors. eta vs tors. theta energy: -48.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -563.887114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.887114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.887114 (E_RNA)
where:
Base-Base interactions energy: -392.964
where: short stacking energy: -150.957
Base-Backbone interact. energy: -0.259
local terms energy: -170.664836
where:
bonds (distance) C4'-P energy: -34.517
bonds (distance) P-C4' energy: -31.648
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: -43.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -491.652497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.652497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.652497 (E_RNA)
where:
Base-Base interactions energy: -337.699
where: short stacking energy: -134.940
Base-Backbone interact. energy: 0.052
local terms energy: -154.005298
where:
bonds (distance) C4'-P energy: -29.856
bonds (distance) P-C4' energy: -40.001
flat angles C4'-P-C4' energy: -29.289
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -31.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -488.932252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.932252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.932252 (E_RNA)
where:
Base-Base interactions energy: -325.994
where: short stacking energy: -138.557
Base-Backbone interact. energy: -0.674
local terms energy: -162.264619
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -31.697
flat angles C4'-P-C4' energy: -37.619
flat angles P-C4'-P energy: -22.803
tors. eta vs tors. theta energy: -43.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -435.111047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.111047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.111047 (E_RNA)
where:
Base-Base interactions energy: -300.447
where: short stacking energy: -120.996
Base-Backbone interact. energy: -1.066
local terms energy: -133.598096
where:
bonds (distance) C4'-P energy: -30.416
bonds (distance) P-C4' energy: -35.402
flat angles C4'-P-C4' energy: -27.092
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -24.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -426.752452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.752452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.752452 (E_RNA)
where:
Base-Base interactions energy: -263.370
where: short stacking energy: -116.711
Base-Backbone interact. energy: -0.169
local terms energy: -163.213410
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -36.846
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -41.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -305.168275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.168275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.168275 (E_RNA)
where:
Base-Base interactions energy: -164.911
where: short stacking energy: -82.815
Base-Backbone interact. energy: -0.314
local terms energy: -139.943112
where:
bonds (distance) C4'-P energy: -39.442
bonds (distance) P-C4' energy: -32.325
flat angles C4'-P-C4' energy: -34.413
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -287.481816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.481816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.481816 (E_RNA)
where:
Base-Base interactions energy: -149.398
where: short stacking energy: -84.518
Base-Backbone interact. energy: -0.072
local terms energy: -138.011037
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -161.850148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.850148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.850148 (E_RNA)
where:
Base-Base interactions energy: -64.655
where: short stacking energy: -58.553
Base-Backbone interact. energy: -0.159
local terms energy: -97.036925
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -28.592
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -14.486
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: 7
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -169.355935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.355935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.355935 (E_RNA)
where:
Base-Base interactions energy: -81.706
where: short stacking energy: -30.958
Base-Backbone interact. energy: -1.873
local terms energy: -85.776650
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -24.731
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: 0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -575.724063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.724063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.724063 (E_RNA)
where:
Base-Base interactions energy: -394.149
where: short stacking energy: -165.280
Base-Backbone interact. energy: 0.641
local terms energy: -182.216290
where:
bonds (distance) C4'-P energy: -31.600
bonds (distance) P-C4' energy: -41.389
flat angles C4'-P-C4' energy: -37.600
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -46.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -559.046765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.046765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.046765 (E_RNA)
where:
Base-Base interactions energy: -391.758
where: short stacking energy: -156.832
Base-Backbone interact. energy: -0.102
local terms energy: -167.187015
where:
bonds (distance) C4'-P energy: -24.844
bonds (distance) P-C4' energy: -31.643
flat angles C4'-P-C4' energy: -40.321
flat angles P-C4'-P energy: -26.335
tors. eta vs tors. theta energy: -44.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -489.283774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.283774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.283774 (E_RNA)
where:
Base-Base interactions energy: -325.101
where: short stacking energy: -136.525
Base-Backbone interact. energy: -2.691
local terms energy: -161.491580
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -32.066
flat angles P-C4'-P energy: -29.886
tors. eta vs tors. theta energy: -40.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -499.136291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.136291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.136291 (E_RNA)
where:
Base-Base interactions energy: -348.837
where: short stacking energy: -132.091
Base-Backbone interact. energy: -0.809
local terms energy: -149.489788
where:
bonds (distance) C4'-P energy: -32.390
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -32.623
flat angles P-C4'-P energy: -20.197
tors. eta vs tors. theta energy: -37.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -396.636262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.636262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.636262 (E_RNA)
where:
Base-Base interactions energy: -271.646
where: short stacking energy: -100.637
Base-Backbone interact. energy: 1.893
local terms energy: -126.883050
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -30.890
flat angles C4'-P-C4' energy: -36.009
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -24.711
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: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -366.667999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.667999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.667999 (E_RNA)
where:
Base-Base interactions energy: -224.193
where: short stacking energy: -105.030
Base-Backbone interact. energy: 1.040
local terms energy: -143.515115
where:
bonds (distance) C4'-P energy: -23.147
bonds (distance) P-C4' energy: -37.592
flat angles C4'-P-C4' energy: -35.220
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -24.316
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: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -278.927576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.927576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.927576 (E_RNA)
where:
Base-Base interactions energy: -148.140
where: short stacking energy: -81.510
Base-Backbone interact. energy: -0.483
local terms energy: -130.304904
where:
bonds (distance) C4'-P energy: -21.953
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -34.840
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -290.988758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.988758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.988758 (E_RNA)
where:
Base-Base interactions energy: -171.758
where: short stacking energy: -81.599
Base-Backbone interact. energy: -1.167
local terms energy: -118.063792
where:
bonds (distance) C4'-P energy: -34.118
bonds (distance) P-C4' energy: -31.048
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -20.807
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -165.753036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.753036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.753036 (E_RNA)
where:
Base-Base interactions energy: -75.791
where: short stacking energy: -63.498
Base-Backbone interact. energy: 0.667
local terms energy: -92.563576
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.934 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -147.323341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.323341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.323341 (E_RNA)
where:
Base-Base interactions energy: -52.380
where: short stacking energy: -46.664
Base-Backbone interact. energy: -0.817
local terms energy: -94.126382
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -32.059
flat angles C4'-P-C4' energy: -24.162
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -4.895
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: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -578.648629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.648629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.648629 (E_RNA)
where:
Base-Base interactions energy: -406.432
where: short stacking energy: -168.860
Base-Backbone interact. energy: 0.582
local terms energy: -172.799205
where:
bonds (distance) C4'-P energy: -30.054
bonds (distance) P-C4' energy: -29.524
flat angles C4'-P-C4' energy: -38.426
flat angles P-C4'-P energy: -23.626
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: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -558.304774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.304774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.304774 (E_RNA)
where:
Base-Base interactions energy: -392.392
where: short stacking energy: -156.398
Base-Backbone interact. energy: 1.233
local terms energy: -167.146266
where:
bonds (distance) C4'-P energy: -33.908
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -36.689
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -40.260
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: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -489.530949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.530949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.530949 (E_RNA)
where:
Base-Base interactions energy: -324.416
where: short stacking energy: -134.196
Base-Backbone interact. energy: -0.189
local terms energy: -164.925949
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -34.180
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -24.157
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: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -493.330365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.330365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.330365 (E_RNA)
where:
Base-Base interactions energy: -339.169
where: short stacking energy: -140.426
Base-Backbone interact. energy: -1.303
local terms energy: -152.858412
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -33.874
flat angles C4'-P-C4' energy: -36.150
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -414.269046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.269046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.269046 (E_RNA)
where:
Base-Base interactions energy: -277.191
where: short stacking energy: -124.372
Base-Backbone interact. energy: 0.099
local terms energy: -137.176412
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -35.781
flat angles P-C4'-P energy: -20.471
tors. eta vs tors. theta energy: -32.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -381.259311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.259311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.259311 (E_RNA)
where:
Base-Base interactions energy: -251.736
where: short stacking energy: -113.618
Base-Backbone interact. energy: 0.438
local terms energy: -129.961254
where:
bonds (distance) C4'-P energy: -30.998
bonds (distance) P-C4' energy: -24.115
flat angles C4'-P-C4' energy: -31.747
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -24.364
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: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -293.375650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.375650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.375650 (E_RNA)
where:
Base-Base interactions energy: -160.700
where: short stacking energy: -67.558
Base-Backbone interact. energy: -0.337
local terms energy: -132.338859
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -37.922
flat angles C4'-P-C4' energy: -31.094
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -256.984778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.984778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.984778 (E_RNA)
where:
Base-Base interactions energy: -134.850
where: short stacking energy: -61.147
Base-Backbone interact. energy: -1.033
local terms energy: -121.102271
where:
bonds (distance) C4'-P energy: -32.781
bonds (distance) P-C4' energy: -29.355
flat angles C4'-P-C4' energy: -26.077
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -165.209632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.209632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.209632 (E_RNA)
where:
Base-Base interactions energy: -67.145
where: short stacking energy: -50.240
Base-Backbone interact. energy: 0.216
local terms energy: -98.280462
where:
bonds (distance) C4'-P energy: -36.515
bonds (distance) P-C4' energy: -37.190
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: 8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -160.925821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.925821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.925821 (E_RNA)
where:
Base-Base interactions energy: -70.130
where: short stacking energy: -50.528
Base-Backbone interact. energy: 0.039
local terms energy: -90.835594
where:
bonds (distance) C4'-P energy: -25.149
bonds (distance) P-C4' energy: -30.091
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -569.683153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.683153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.683153 (E_RNA)
where:
Base-Base interactions energy: -383.635
where: short stacking energy: -159.457
Base-Backbone interact. energy: 1.326
local terms energy: -187.373795
where:
bonds (distance) C4'-P energy: -31.009
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -40.946
flat angles P-C4'-P energy: -31.870
tors. eta vs tors. theta energy: -50.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -552.902109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.902109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.902109 (E_RNA)
where:
Base-Base interactions energy: -381.816
where: short stacking energy: -154.972
Base-Backbone interact. energy: -0.372
local terms energy: -170.806697
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -35.542
flat angles C4'-P-C4' energy: -32.965
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -46.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.092 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -508.656314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.656314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.656314 (E_RNA)
where:
Base-Base interactions energy: -329.940
where: short stacking energy: -147.569
Base-Backbone interact. energy: -1.279
local terms energy: -177.436430
where:
bonds (distance) C4'-P energy: -32.144
bonds (distance) P-C4' energy: -34.911
flat angles C4'-P-C4' energy: -42.611
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -41.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -510.753113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.753113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.753113 (E_RNA)
where:
Base-Base interactions energy: -343.052
where: short stacking energy: -151.030
Base-Backbone interact. energy: -3.075
local terms energy: -164.626326
where:
bonds (distance) C4'-P energy: -30.717
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -23.963
tors. eta vs tors. theta energy: -40.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -393.424307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.424307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.424307 (E_RNA)
where:
Base-Base interactions energy: -244.896
where: short stacking energy: -102.066
Base-Backbone interact. energy: -1.716
local terms energy: -146.813056
where:
bonds (distance) C4'-P energy: -33.448
bonds (distance) P-C4' energy: -33.730
flat angles C4'-P-C4' energy: -30.688
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -23.218
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: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -401.737768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.737768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.737768 (E_RNA)
where:
Base-Base interactions energy: -267.566
where: short stacking energy: -121.585
Base-Backbone interact. energy: -0.142
local terms energy: -134.030095
where:
bonds (distance) C4'-P energy: -24.668
bonds (distance) P-C4' energy: -31.294
flat angles C4'-P-C4' energy: -28.980
flat angles P-C4'-P energy: -22.528
tors. eta vs tors. theta energy: -26.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -280.976152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.976152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.976152 (E_RNA)
where:
Base-Base interactions energy: -167.331
where: short stacking energy: -94.566
Base-Backbone interact. energy: 1.925
local terms energy: -115.569560
where:
bonds (distance) C4'-P energy: -28.286
bonds (distance) P-C4' energy: -22.252
flat angles C4'-P-C4' energy: -34.380
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -259.772588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.772588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.772588 (E_RNA)
where:
Base-Base interactions energy: -147.987
where: short stacking energy: -66.905
Base-Backbone interact. energy: -0.432
local terms energy: -111.353527
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -33.062
flat angles C4'-P-C4' energy: -27.549
flat angles P-C4'-P energy: -15.864
tors. eta vs tors. theta energy: -6.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -184.923829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.923829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.923829 (E_RNA)
where:
Base-Base interactions energy: -76.752
where: short stacking energy: -56.824
Base-Backbone interact. energy: -0.666
local terms energy: -107.506078
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -33.027
flat angles C4'-P-C4' energy: -28.660
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -6.824
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: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -150.532594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.532594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.532594 (E_RNA)
where:
Base-Base interactions energy: -63.471
where: short stacking energy: -30.485
Base-Backbone interact. energy: -0.177
local terms energy: -86.884622
where:
bonds (distance) C4'-P energy: -30.202
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: 6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -581.546588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.546588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.546588 (E_RNA)
where:
Base-Base interactions energy: -399.198
where: short stacking energy: -165.632
Base-Backbone interact. energy: -1.841
local terms energy: -180.507572
where:
bonds (distance) C4'-P energy: -37.520
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -34.870
flat angles P-C4'-P energy: -23.186
tors. eta vs tors. theta energy: -52.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -558.231074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.231074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.231074 (E_RNA)
where:
Base-Base interactions energy: -388.263
where: short stacking energy: -155.795
Base-Backbone interact. energy: -1.500
local terms energy: -168.467883
where:
bonds (distance) C4'-P energy: -26.136
bonds (distance) P-C4' energy: -36.619
flat angles C4'-P-C4' energy: -39.543
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -43.656
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: 110
Temperature: 1.000000
Total energy: -527.948164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.948164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.948164 (E_RNA)
where:
Base-Base interactions energy: -354.279
where: short stacking energy: -148.809
Base-Backbone interact. energy: -1.438
local terms energy: -173.196991
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -37.117
flat angles P-C4'-P energy: -26.334
tors. eta vs tors. theta energy: -41.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.966 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -506.543215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.543215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.543215 (E_RNA)
where:
Base-Base interactions energy: -339.799
where: short stacking energy: -147.128
Base-Backbone interact. energy: -0.682
local terms energy: -166.061699
where:
bonds (distance) C4'-P energy: -34.256
bonds (distance) P-C4' energy: -34.158
flat angles C4'-P-C4' energy: -36.970
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -44.241
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: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -399.820443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.820443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.820443 (E_RNA)
where:
Base-Base interactions energy: -251.526
where: short stacking energy: -115.408
Base-Backbone interact. energy: -0.449
local terms energy: -147.845273
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -34.250
flat angles C4'-P-C4' energy: -38.077
flat angles P-C4'-P energy: -19.135
tors. eta vs tors. theta energy: -31.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -367.916996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.916996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.916996 (E_RNA)
where:
Base-Base interactions energy: -230.051
where: short stacking energy: -105.925
Base-Backbone interact. energy: -1.039
local terms energy: -136.826518
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -19.548
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -272.476372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.476372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.476372 (E_RNA)
where:
Base-Base interactions energy: -148.061
where: short stacking energy: -81.346
Base-Backbone interact. energy: 0.245
local terms energy: -124.660206
where:
bonds (distance) C4'-P energy: -32.133
bonds (distance) P-C4' energy: -29.255
flat angles C4'-P-C4' energy: -24.950
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -249.555601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.555601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.555601 (E_RNA)
where:
Base-Base interactions energy: -148.094
where: short stacking energy: -65.320
Base-Backbone interact. energy: 0.229
local terms energy: -101.690258
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -33.217
flat angles C4'-P-C4' energy: -31.511
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -8.847
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: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -184.407224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.407224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.407224 (E_RNA)
where:
Base-Base interactions energy: -69.890
where: short stacking energy: -48.361
Base-Backbone interact. energy: -1.034
local terms energy: -113.483229
where:
bonds (distance) C4'-P energy: -36.863
bonds (distance) P-C4' energy: -32.585
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -157.934458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.934458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.934458 (E_RNA)
where:
Base-Base interactions energy: -59.615
where: short stacking energy: -58.373
Base-Backbone interact. energy: -0.262
local terms energy: -98.057283
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -32.523
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -590.881192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.881192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.881192 (E_RNA)
where:
Base-Base interactions energy: -406.752
where: short stacking energy: -176.325
Base-Backbone interact. energy: -1.651
local terms energy: -182.477719
where:
bonds (distance) C4'-P energy: -38.630
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -40.212
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -51.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -561.328308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.328308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.328308 (E_RNA)
where:
Base-Base interactions energy: -387.286
where: short stacking energy: -148.225
Base-Backbone interact. energy: 1.081
local terms energy: -175.123512
where:
bonds (distance) C4'-P energy: -32.890
bonds (distance) P-C4' energy: -38.648
flat angles C4'-P-C4' energy: -36.401
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -39.548
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: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -517.312825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.312825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.312825 (E_RNA)
where:
Base-Base interactions energy: -358.124
where: short stacking energy: -137.896
Base-Backbone interact. energy: -0.262
local terms energy: -158.926572
where:
bonds (distance) C4'-P energy: -34.868
bonds (distance) P-C4' energy: -32.784
flat angles C4'-P-C4' energy: -33.255
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -34.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -496.017211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.017211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.017211 (E_RNA)
where:
Base-Base interactions energy: -338.620
where: short stacking energy: -148.595
Base-Backbone interact. energy: -0.037
local terms energy: -157.360332
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -30.361
flat angles P-C4'-P energy: -23.735
tors. eta vs tors. theta energy: -43.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -435.166112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.166112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.166112 (E_RNA)
where:
Base-Base interactions energy: -284.786
where: short stacking energy: -128.366
Base-Backbone interact. energy: -0.178
local terms energy: -150.203001
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -30.878
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -32.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -361.770984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.770984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.770984 (E_RNA)
where:
Base-Base interactions energy: -232.454
where: short stacking energy: -96.053
Base-Backbone interact. energy: -1.371
local terms energy: -127.946227
where:
bonds (distance) C4'-P energy: -28.917
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -22.625
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -268.941049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.941049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.941049 (E_RNA)
where:
Base-Base interactions energy: -143.533
where: short stacking energy: -73.601
Base-Backbone interact. energy: -0.681
local terms energy: -124.726588
where:
bonds (distance) C4'-P energy: -32.098
bonds (distance) P-C4' energy: -31.453
flat angles C4'-P-C4' energy: -31.382
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -167.251872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.251872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.251872 (E_RNA)
where:
Base-Base interactions energy: -53.638
where: short stacking energy: -45.576
Base-Backbone interact. energy: 1.954
local terms energy: -115.567666
where:
bonds (distance) C4'-P energy: -26.670
bonds (distance) P-C4' energy: -34.670
flat angles C4'-P-C4' energy: -32.843
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -269.396897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.396897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.396897 (E_RNA)
where:
Base-Base interactions energy: -153.624
where: short stacking energy: -80.883
Base-Backbone interact. energy: -0.924
local terms energy: -114.848442
where:
bonds (distance) C4'-P energy: -24.754
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -30.725
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -177.490802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.490802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.490802 (E_RNA)
where:
Base-Base interactions energy: -68.130
where: short stacking energy: -44.426
Base-Backbone interact. energy: -0.928
local terms energy: -108.432076
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -38.619
flat angles C4'-P-C4' energy: -21.623
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -8.437
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: 112
Temperature: 0.900000
Total energy: -581.229111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.229111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.229111 (E_RNA)
where:
Base-Base interactions energy: -404.567
where: short stacking energy: -162.771
Base-Backbone interact. energy: -0.643
local terms energy: -176.019312
where:
bonds (distance) C4'-P energy: -37.273
bonds (distance) P-C4' energy: -38.376
flat angles C4'-P-C4' energy: -25.756
flat angles P-C4'-P energy: -28.536
tors. eta vs tors. theta energy: -46.078
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: 10
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -575.674095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.674095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.674095 (E_RNA)
where:
Base-Base interactions energy: -412.119
where: short stacking energy: -157.137
Base-Backbone interact. energy: 0.272
local terms energy: -163.827681
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -32.259
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -28.016
tors. eta vs tors. theta energy: -45.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -497.176760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.176760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.176760 (E_RNA)
where:
Base-Base interactions energy: -350.943
where: short stacking energy: -141.134
Base-Backbone interact. energy: -0.811
local terms energy: -145.422537
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -29.988
flat angles C4'-P-C4' energy: -35.597
flat angles P-C4'-P energy: -24.717
tors. eta vs tors. theta energy: -30.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -489.751239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.751239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.751239 (E_RNA)
where:
Base-Base interactions energy: -325.822
where: short stacking energy: -137.770
Base-Backbone interact. energy: -0.671
local terms energy: -163.258561
where:
bonds (distance) C4'-P energy: -33.953
bonds (distance) P-C4' energy: -36.316
flat angles C4'-P-C4' energy: -26.193
flat angles P-C4'-P energy: -26.569
tors. eta vs tors. theta energy: -40.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -463.072195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.072195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.072195 (E_RNA)
where:
Base-Base interactions energy: -307.223
where: short stacking energy: -136.014
Base-Backbone interact. energy: -0.580
local terms energy: -155.268436
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -26.903
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -26.630
tors. eta vs tors. theta energy: -38.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -412.948838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.948838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.948838 (E_RNA)
where:
Base-Base interactions energy: -282.913
where: short stacking energy: -120.793
Base-Backbone interact. energy: -0.289
local terms energy: -129.747213
where:
bonds (distance) C4'-P energy: -26.746
bonds (distance) P-C4' energy: -27.706
flat angles C4'-P-C4' energy: -26.544
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -30.279
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: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -288.684546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.684546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.684546 (E_RNA)
where:
Base-Base interactions energy: -160.616
where: short stacking energy: -92.961
Base-Backbone interact. energy: 0.847
local terms energy: -130.075436
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -27.211
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -19.772
tors. eta vs tors. theta energy: -22.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.159 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -162.905758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.905758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.905758 (E_RNA)
where:
Base-Base interactions energy: -52.697
where: short stacking energy: -30.644
Base-Backbone interact. energy: -1.670
local terms energy: -108.538919
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -29.870
flat angles C4'-P-C4' energy: -33.364
flat angles P-C4'-P energy: -22.659
tors. eta vs tors. theta energy: 1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -241.161755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.161755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.161755 (E_RNA)
where:
Base-Base interactions energy: -132.331
where: short stacking energy: -72.189
Base-Backbone interact. energy: -0.859
local terms energy: -107.971622
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -36.109
flat angles C4'-P-C4' energy: -32.831
flat angles P-C4'-P energy: -3.298
tors. eta vs tors. theta energy: -9.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -138.051110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.051110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.051110 (E_RNA)
where:
Base-Base interactions energy: -52.738
where: short stacking energy: -39.039
Base-Backbone interact. energy: -0.073
local terms energy: -85.622997
where:
bonds (distance) C4'-P energy: -32.612
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.383 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -583.116108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.116108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.116108 (E_RNA)
where:
Base-Base interactions energy: -411.778
where: short stacking energy: -167.705
Base-Backbone interact. energy: -0.573
local terms energy: -170.765493
where:
bonds (distance) C4'-P energy: -30.631
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -38.341
flat angles P-C4'-P energy: -27.603
tors. eta vs tors. theta energy: -42.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -576.189123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.189123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.189123 (E_RNA)
where:
Base-Base interactions energy: -407.993
where: short stacking energy: -170.000
Base-Backbone interact. energy: -1.770
local terms energy: -166.426207
where:
bonds (distance) C4'-P energy: -34.367
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -36.718
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -45.739
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: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -510.653916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.653916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.653916 (E_RNA)
where:
Base-Base interactions energy: -345.399
where: short stacking energy: -148.804
Base-Backbone interact. energy: -0.788
local terms energy: -164.467288
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -33.792
flat angles C4'-P-C4' energy: -37.494
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -38.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -525.778665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.778665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.778665 (E_RNA)
where:
Base-Base interactions energy: -361.230
where: short stacking energy: -153.767
Base-Backbone interact. energy: -0.878
local terms energy: -163.670440
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -35.697
flat angles C4'-P-C4' energy: -30.799
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -45.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -448.145635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.145635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.145635 (E_RNA)
where:
Base-Base interactions energy: -297.094
where: short stacking energy: -133.318
Base-Backbone interact. energy: -0.784
local terms energy: -150.268013
where:
bonds (distance) C4'-P energy: -26.030
bonds (distance) P-C4' energy: -26.410
flat angles C4'-P-C4' energy: -34.891
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -38.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -366.649683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.649683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.649683 (E_RNA)
where:
Base-Base interactions energy: -226.607
where: short stacking energy: -115.415
Base-Backbone interact. energy: 0.897
local terms energy: -140.939561
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -35.326
flat angles C4'-P-C4' energy: -31.638
flat angles P-C4'-P energy: -25.616
tors. eta vs tors. theta energy: -30.529
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: 113
Temperature: 1.200000
Total energy: -292.858426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.858426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.858426 (E_RNA)
where:
Base-Base interactions energy: -164.889
where: short stacking energy: -77.828
Base-Backbone interact. energy: -0.633
local terms energy: -127.336302
where:
bonds (distance) C4'-P energy: -30.812
bonds (distance) P-C4' energy: -32.860
flat angles C4'-P-C4' energy: -29.903
flat angles P-C4'-P energy: -23.393
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -278.485364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.485364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.485364 (E_RNA)
where:
Base-Base interactions energy: -156.639
where: short stacking energy: -85.217
Base-Backbone interact. energy: -0.692
local terms energy: -123.018755
where:
bonds (distance) C4'-P energy: -30.864
bonds (distance) P-C4' energy: -33.907
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -19.828
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.864 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -160.446899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.446899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.446899 (E_RNA)
where:
Base-Base interactions energy: -61.354
where: short stacking energy: -43.299
Base-Backbone interact. energy: -1.195
local terms energy: -97.897598
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -32.404
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -139.241750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.241750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.241750 (E_RNA)
where:
Base-Base interactions energy: -59.132
where: short stacking energy: -42.164
Base-Backbone interact. energy: -0.212
local terms energy: -79.897334
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -29.476
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: 3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -587.232549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.232549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.232549 (E_RNA)
where:
Base-Base interactions energy: -412.694
where: short stacking energy: -170.296
Base-Backbone interact. energy: -2.202
local terms energy: -172.336648
where:
bonds (distance) C4'-P energy: -29.878
bonds (distance) P-C4' energy: -29.644
flat angles C4'-P-C4' energy: -36.754
flat angles P-C4'-P energy: -28.976
tors. eta vs tors. theta energy: -47.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -562.923606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.923606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.923606 (E_RNA)
where:
Base-Base interactions energy: -387.196
where: short stacking energy: -154.508
Base-Backbone interact. energy: -0.584
local terms energy: -175.143749
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -41.339
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -43.404
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: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -543.753340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.753340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.753340 (E_RNA)
where:
Base-Base interactions energy: -365.526
where: short stacking energy: -156.620
Base-Backbone interact. energy: -0.237
local terms energy: -177.990008
where:
bonds (distance) C4'-P energy: -34.797
bonds (distance) P-C4' energy: -33.309
flat angles C4'-P-C4' energy: -37.820
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: -49.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -492.857813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.857813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.857813 (E_RNA)
where:
Base-Base interactions energy: -333.989
where: short stacking energy: -145.846
Base-Backbone interact. energy: -0.653
local terms energy: -158.216016
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -38.313
flat angles C4'-P-C4' energy: -33.635
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -30.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -452.012786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.012786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.012786 (E_RNA)
where:
Base-Base interactions energy: -313.540
where: short stacking energy: -135.255
Base-Backbone interact. energy: -0.520
local terms energy: -137.952090
where:
bonds (distance) C4'-P energy: -25.334
bonds (distance) P-C4' energy: -32.347
flat angles C4'-P-C4' energy: -23.852
flat angles P-C4'-P energy: -20.355
tors. eta vs tors. theta energy: -36.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -362.911849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.911849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.911849 (E_RNA)
where:
Base-Base interactions energy: -224.381
where: short stacking energy: -100.610
Base-Backbone interact. energy: -0.348
local terms energy: -138.182815
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -35.216
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -299.172008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.172008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.172008 (E_RNA)
where:
Base-Base interactions energy: -154.010
where: short stacking energy: -80.115
Base-Backbone interact. energy: 1.096
local terms energy: -146.257408
where:
bonds (distance) C4'-P energy: -28.112
bonds (distance) P-C4' energy: -36.471
flat angles C4'-P-C4' energy: -34.645
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: -24.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -277.024369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.024369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.024369 (E_RNA)
where:
Base-Base interactions energy: -160.788
where: short stacking energy: -78.966
Base-Backbone interact. energy: -0.233
local terms energy: -116.003782
where:
bonds (distance) C4'-P energy: -31.891
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -28.808
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -156.962518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.962518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.962518 (E_RNA)
where:
Base-Base interactions energy: -50.040
where: short stacking energy: -33.025
Base-Backbone interact. energy: -1.767
local terms energy: -105.667075
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -39.399
flat angles C4'-P-C4' energy: -27.519
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: 9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.512 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -165.446244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.446244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.446244 (E_RNA)
where:
Base-Base interactions energy: -65.535
where: short stacking energy: -43.383
Base-Backbone interact. energy: 1.071
local terms energy: -100.982232
where:
bonds (distance) C4'-P energy: -26.967
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -31.490
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -2.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -568.080764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.080764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.080764 (E_RNA)
where:
Base-Base interactions energy: -393.442
where: short stacking energy: -166.844
Base-Backbone interact. energy: 1.639
local terms energy: -176.277411
where:
bonds (distance) C4'-P energy: -31.373
bonds (distance) P-C4' energy: -35.572
flat angles C4'-P-C4' energy: -41.782
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -45.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -548.120370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.120370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.120370 (E_RNA)
where:
Base-Base interactions energy: -371.721
where: short stacking energy: -163.324
Base-Backbone interact. energy: -0.883
local terms energy: -175.516657
where:
bonds (distance) C4'-P energy: -31.626
bonds (distance) P-C4' energy: -36.880
flat angles C4'-P-C4' energy: -33.691
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: -50.985
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: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -554.386631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.386631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.386631 (E_RNA)
where:
Base-Base interactions energy: -391.498
where: short stacking energy: -155.438
Base-Backbone interact. energy: -0.403
local terms energy: -163.165211
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -24.858
tors. eta vs tors. theta energy: -41.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.680 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -468.553988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.553988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.553988 (E_RNA)
where:
Base-Base interactions energy: -327.667
where: short stacking energy: -129.263
Base-Backbone interact. energy: -1.021
local terms energy: -139.865663
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -29.477
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -33.191
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: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -473.681239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.681239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.681239 (E_RNA)
where:
Base-Base interactions energy: -328.367
where: short stacking energy: -131.173
Base-Backbone interact. energy: -2.214
local terms energy: -143.100034
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -30.739
flat angles P-C4'-P energy: -25.479
tors. eta vs tors. theta energy: -28.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -379.208044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.208044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.208044 (E_RNA)
where:
Base-Base interactions energy: -248.800
where: short stacking energy: -105.389
Base-Backbone interact. energy: -1.725
local terms energy: -128.682982
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -31.243
flat angles C4'-P-C4' energy: -27.158
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -27.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -270.793962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.793962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.793962 (E_RNA)
where:
Base-Base interactions energy: -148.356
where: short stacking energy: -77.457
Base-Backbone interact. energy: -0.304
local terms energy: -122.133709
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -231.863192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.863192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.863192 (E_RNA)
where:
Base-Base interactions energy: -140.654
where: short stacking energy: -61.722
Base-Backbone interact. energy: 4.690
local terms energy: -95.899413
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -30.122
flat angles C4'-P-C4' energy: -24.453
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: 5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -152.854810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.854810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.854810 (E_RNA)
where:
Base-Base interactions energy: -53.953
where: short stacking energy: -34.680
Base-Backbone interact. energy: 0.763
local terms energy: -99.665254
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -29.329
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: 2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -157.875360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.875360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.875360 (E_RNA)
where:
Base-Base interactions energy: -55.016
where: short stacking energy: -48.233
Base-Backbone interact. energy: -0.339
local terms energy: -102.520212
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -564.201968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.201968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.201968 (E_RNA)
where:
Base-Base interactions energy: -370.084
where: short stacking energy: -167.128
Base-Backbone interact. energy: -0.132
local terms energy: -193.985214
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -35.913
flat angles C4'-P-C4' energy: -39.657
flat angles P-C4'-P energy: -27.605
tors. eta vs tors. theta energy: -53.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -570.563470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.563470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.563470 (E_RNA)
where:
Base-Base interactions energy: -387.782
where: short stacking energy: -160.677
Base-Backbone interact. energy: -0.022
local terms energy: -182.759379
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -38.789
flat angles P-C4'-P energy: -28.481
tors. eta vs tors. theta energy: -46.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -541.285462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.285462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.285462 (E_RNA)
where:
Base-Base interactions energy: -379.418
where: short stacking energy: -156.827
Base-Backbone interact. energy: -0.417
local terms energy: -161.450170
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -32.562
flat angles C4'-P-C4' energy: -33.897
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: -41.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -508.138458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.138458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.138458 (E_RNA)
where:
Base-Base interactions energy: -361.617
where: short stacking energy: -137.065
Base-Backbone interact. energy: -1.729
local terms energy: -144.791979
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -33.128
flat angles C4'-P-C4' energy: -27.945
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -40.010
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: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -453.641440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.641440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.641440 (E_RNA)
where:
Base-Base interactions energy: -322.669
where: short stacking energy: -120.395
Base-Backbone interact. energy: 0.116
local terms energy: -131.088039
where:
bonds (distance) C4'-P energy: -33.584
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -32.343
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -26.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -388.200601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.200601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.200601 (E_RNA)
where:
Base-Base interactions energy: -260.838
where: short stacking energy: -104.806
Base-Backbone interact. energy: -0.836
local terms energy: -126.527331
where:
bonds (distance) C4'-P energy: -29.980
bonds (distance) P-C4' energy: -33.765
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -232.078977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.078977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.078977 (E_RNA)
where:
Base-Base interactions energy: -125.814
where: short stacking energy: -77.332
Base-Backbone interact. energy: -0.335
local terms energy: -106.994165
where:
bonds (distance) C4'-P energy: -26.620
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: -14.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.065 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -301.670429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.670429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.670429 (E_RNA)
where:
Base-Base interactions energy: -179.111
where: short stacking energy: -81.479
Base-Backbone interact. energy: -0.692
local terms energy: -121.866979
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -30.124
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -23.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -158.361839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.361839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.361839 (E_RNA)
where:
Base-Base interactions energy: -50.166
where: short stacking energy: -49.239
Base-Backbone interact. energy: 0.187
local terms energy: -108.891183
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -35.723
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.508 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -148.388200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.388200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.388200 (E_RNA)
where:
Base-Base interactions energy: -45.404
where: short stacking energy: -41.731
Base-Backbone interact. energy: -1.202
local terms energy: -102.183145
where:
bonds (distance) C4'-P energy: -23.552
bonds (distance) P-C4' energy: -31.521
flat angles C4'-P-C4' energy: -34.918
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -3.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.401 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -569.991499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.991499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.991499 (E_RNA)
where:
Base-Base interactions energy: -387.300
where: short stacking energy: -163.550
Base-Backbone interact. energy: -0.137
local terms energy: -182.554586
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -35.636
flat angles C4'-P-C4' energy: -36.955
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -51.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -564.202463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.202463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.202463 (E_RNA)
where:
Base-Base interactions energy: -387.051
where: short stacking energy: -155.913
Base-Backbone interact. energy: -0.513
local terms energy: -176.638602
where:
bonds (distance) C4'-P energy: -37.322
bonds (distance) P-C4' energy: -36.357
flat angles C4'-P-C4' energy: -34.179
flat angles P-C4'-P energy: -28.940
tors. eta vs tors. theta energy: -39.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -563.199721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.199721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.199721 (E_RNA)
where:
Base-Base interactions energy: -383.828
where: short stacking energy: -161.362
Base-Backbone interact. energy: 0.315
local terms energy: -179.686760
where:
bonds (distance) C4'-P energy: -35.779
bonds (distance) P-C4' energy: -34.863
flat angles C4'-P-C4' energy: -38.004
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -46.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -493.675425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.675425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.675425 (E_RNA)
where:
Base-Base interactions energy: -332.305
where: short stacking energy: -133.545
Base-Backbone interact. energy: -0.448
local terms energy: -160.922113
where:
bonds (distance) C4'-P energy: -27.387
bonds (distance) P-C4' energy: -33.818
flat angles C4'-P-C4' energy: -34.481
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -36.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -451.902419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.902419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.902419 (E_RNA)
where:
Base-Base interactions energy: -305.868
where: short stacking energy: -124.633
Base-Backbone interact. energy: -2.900
local terms energy: -143.952865
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -34.796
flat angles C4'-P-C4' energy: -27.592
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -31.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.818 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -409.857077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.857077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.857077 (E_RNA)
where:
Base-Base interactions energy: -269.198
where: short stacking energy: -117.891
Base-Backbone interact. energy: -0.212
local terms energy: -140.447049
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -30.495
flat angles C4'-P-C4' energy: -27.108
flat angles P-C4'-P energy: -25.756
tors. eta vs tors. theta energy: -32.288
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: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -264.225039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.225039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.225039 (E_RNA)
where:
Base-Base interactions energy: -124.712
where: short stacking energy: -72.155
Base-Backbone interact. energy: -1.339
local terms energy: -138.173773
where:
bonds (distance) C4'-P energy: -32.979
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -35.736
flat angles P-C4'-P energy: -26.634
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -255.032929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.032929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.032929 (E_RNA)
where:
Base-Base interactions energy: -151.233
where: short stacking energy: -76.076
Base-Backbone interact. energy: -0.072
local terms energy: -103.727936
where:
bonds (distance) C4'-P energy: -33.932
bonds (distance) P-C4' energy: -21.248
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -165.592521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.592521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.592521 (E_RNA)
where:
Base-Base interactions energy: -57.249
where: short stacking energy: -34.100
Base-Backbone interact. energy: -0.692
local terms energy: -108.495841
where:
bonds (distance) C4'-P energy: -37.373
bonds (distance) P-C4' energy: -35.893
flat angles C4'-P-C4' energy: -23.279
flat angles P-C4'-P energy: -16.238
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: 0.845 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -137.909288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.909288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.909288 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.152
local terms energy: -97.876013
where:
bonds (distance) C4'-P energy: -30.705
bonds (distance) P-C4' energy: -26.244
flat angles C4'-P-C4' energy: -27.704
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: 6.632
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: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -571.770992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.770992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.770992 (E_RNA)
where:
Base-Base interactions energy: -395.231
where: short stacking energy: -157.357
Base-Backbone interact. energy: -1.134
local terms energy: -175.406300
where:
bonds (distance) C4'-P energy: -35.585
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -38.671
flat angles P-C4'-P energy: -28.136
tors. eta vs tors. theta energy: -41.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -545.108783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.108783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.108783 (E_RNA)
where:
Base-Base interactions energy: -368.394
where: short stacking energy: -149.154
Base-Backbone interact. energy: 0.179
local terms energy: -176.894118
where:
bonds (distance) C4'-P energy: -39.587
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -50.055
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: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -540.855060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.855060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.855060 (E_RNA)
where:
Base-Base interactions energy: -376.255
where: short stacking energy: -149.625
Base-Backbone interact. energy: -0.447
local terms energy: -164.153426
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -36.909
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -40.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -486.837567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.837567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.837567 (E_RNA)
where:
Base-Base interactions energy: -339.160
where: short stacking energy: -130.413
Base-Backbone interact. energy: -0.292
local terms energy: -147.385062
where:
bonds (distance) C4'-P energy: -30.802
bonds (distance) P-C4' energy: -31.007
flat angles C4'-P-C4' energy: -33.519
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -33.763
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: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -456.666365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.666365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.666365 (E_RNA)
where:
Base-Base interactions energy: -309.904
where: short stacking energy: -127.328
Base-Backbone interact. energy: 0.013
local terms energy: -146.775505
where:
bonds (distance) C4'-P energy: -25.941
bonds (distance) P-C4' energy: -35.555
flat angles C4'-P-C4' energy: -26.725
flat angles P-C4'-P energy: -26.649
tors. eta vs tors. theta energy: -31.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -397.787557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.787557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.787557 (E_RNA)
where:
Base-Base interactions energy: -245.581
where: short stacking energy: -113.715
Base-Backbone interact. energy: -0.290
local terms energy: -152.861324
where:
bonds (distance) C4'-P energy: -30.574
bonds (distance) P-C4' energy: -33.857
flat angles C4'-P-C4' energy: -30.955
flat angles P-C4'-P energy: -27.962
tors. eta vs tors. theta energy: -29.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.944 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -282.506076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.506076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.506076 (E_RNA)
where:
Base-Base interactions energy: -160.197
where: short stacking energy: -79.505
Base-Backbone interact. energy: -0.956
local terms energy: -121.352599
where:
bonds (distance) C4'-P energy: -27.944
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -33.138
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -259.398638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.398638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.398638 (E_RNA)
where:
Base-Base interactions energy: -141.277
where: short stacking energy: -77.541
Base-Backbone interact. energy: 1.886
local terms energy: -120.007793
where:
bonds (distance) C4'-P energy: -28.195
bonds (distance) P-C4' energy: -33.796
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -14.366
tors. eta vs tors. theta energy: -14.156
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: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -167.481364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.481364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.481364 (E_RNA)
where:
Base-Base interactions energy: -62.514
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.341
local terms energy: -104.626685
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -36.594
flat angles C4'-P-C4' energy: -30.520
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -0.064
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: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -154.988900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.988900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.988900 (E_RNA)
where:
Base-Base interactions energy: -55.584
where: short stacking energy: -41.684
Base-Backbone interact. energy: -1.088
local terms energy: -98.317501
where:
bonds (distance) C4'-P energy: -31.446
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -28.424
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: 6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -584.353879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.353879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.353879 (E_RNA)
where:
Base-Base interactions energy: -407.925
where: short stacking energy: -157.525
Base-Backbone interact. energy: 0.487
local terms energy: -176.914958
where:
bonds (distance) C4'-P energy: -36.933
bonds (distance) P-C4' energy: -33.345
flat angles C4'-P-C4' energy: -35.556
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -48.172
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: 119
Temperature: 0.950000
Total energy: -561.927178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.927178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.927178 (E_RNA)
where:
Base-Base interactions energy: -388.541
where: short stacking energy: -169.575
Base-Backbone interact. energy: -0.122
local terms energy: -173.264486
where:
bonds (distance) C4'-P energy: -32.703
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -38.575
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -53.312
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: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -536.591996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.591996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.591996 (E_RNA)
where:
Base-Base interactions energy: -375.726
where: short stacking energy: -151.305
Base-Backbone interact. energy: -0.152
local terms energy: -160.713229
where:
bonds (distance) C4'-P energy: -29.448
bonds (distance) P-C4' energy: -29.785
flat angles C4'-P-C4' energy: -34.520
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -43.658
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: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -494.181718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.181718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.181718 (E_RNA)
where:
Base-Base interactions energy: -328.684
where: short stacking energy: -138.271
Base-Backbone interact. energy: -1.264
local terms energy: -164.233680
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -31.620
flat angles C4'-P-C4' energy: -34.526
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -40.381
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: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -450.117981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.117981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.117981 (E_RNA)
where:
Base-Base interactions energy: -299.708
where: short stacking energy: -123.926
Base-Backbone interact. energy: -0.883
local terms energy: -149.526931
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -30.066
flat angles C4'-P-C4' energy: -36.660
flat angles P-C4'-P energy: -22.546
tors. eta vs tors. theta energy: -28.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -447.291128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.291128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.291128 (E_RNA)
where:
Base-Base interactions energy: -300.171
where: short stacking energy: -123.286
Base-Backbone interact. energy: -0.250
local terms energy: -146.869670
where:
bonds (distance) C4'-P energy: -28.693
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -33.193
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -33.260
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: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -283.967746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.967746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.967746 (E_RNA)
where:
Base-Base interactions energy: -158.157
where: short stacking energy: -69.915
Base-Backbone interact. energy: -0.240
local terms energy: -125.570764
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -33.360
flat angles P-C4'-P energy: -22.220
tors. eta vs tors. theta energy: -10.220
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: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -238.035873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.035873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.035873 (E_RNA)
where:
Base-Base interactions energy: -135.220
where: short stacking energy: -68.073
Base-Backbone interact. energy: 0.482
local terms energy: -103.298032
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -31.410
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -1.683
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: 119
Temperature: 1.300000
Total energy: -162.603591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.603591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.603591 (E_RNA)
where:
Base-Base interactions energy: -64.282
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.172
local terms energy: -98.150051
where:
bonds (distance) C4'-P energy: -28.728
bonds (distance) P-C4' energy: -37.080
flat angles C4'-P-C4' energy: -20.079
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -2.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -161.999496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.999496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.999496 (E_RNA)
where:
Base-Base interactions energy: -60.393
where: short stacking energy: -45.493
Base-Backbone interact. energy: -0.765
local terms energy: -100.841523
where:
bonds (distance) C4'-P energy: -35.651
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -577.269219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.269219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.269219 (E_RNA)
where:
Base-Base interactions energy: -405.250
where: short stacking energy: -164.341
Base-Backbone interact. energy: 0.623
local terms energy: -172.642102
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -36.232
flat angles C4'-P-C4' energy: -39.174
flat angles P-C4'-P energy: -26.388
tors. eta vs tors. theta energy: -44.022
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: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -551.619153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.619153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.619153 (E_RNA)
where:
Base-Base interactions energy: -363.286
where: short stacking energy: -165.974
Base-Backbone interact. energy: -0.789
local terms energy: -187.544195
where:
bonds (distance) C4'-P energy: -32.840
bonds (distance) P-C4' energy: -39.401
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -54.028
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: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -558.138894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.138894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.138894 (E_RNA)
where:
Base-Base interactions energy: -389.953
where: short stacking energy: -157.645
Base-Backbone interact. energy: -1.002
local terms energy: -167.183960
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -34.678
flat angles C4'-P-C4' energy: -34.175
flat angles P-C4'-P energy: -22.708
tors. eta vs tors. theta energy: -48.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -475.514264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.514264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.514264 (E_RNA)
where:
Base-Base interactions energy: -327.484
where: short stacking energy: -136.198
Base-Backbone interact. energy: -1.788
local terms energy: -146.242115
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -32.389
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -37.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -443.653861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.653861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.653861 (E_RNA)
where:
Base-Base interactions energy: -304.025
where: short stacking energy: -115.844
Base-Backbone interact. energy: -1.996
local terms energy: -137.632590
where:
bonds (distance) C4'-P energy: -26.541
bonds (distance) P-C4' energy: -34.159
flat angles C4'-P-C4' energy: -31.460
flat angles P-C4'-P energy: -21.967
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -437.633316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.633316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.633316 (E_RNA)
where:
Base-Base interactions energy: -292.368
where: short stacking energy: -121.729
Base-Backbone interact. energy: 1.119
local terms energy: -146.384617
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -29.615
flat angles C4'-P-C4' energy: -36.540
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -27.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -274.614194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.614194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.614194 (E_RNA)
where:
Base-Base interactions energy: -147.426
where: short stacking energy: -79.250
Base-Backbone interact. energy: -0.666
local terms energy: -126.521744
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -29.751
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -288.757098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.757098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.757098 (E_RNA)
where:
Base-Base interactions energy: -162.556
where: short stacking energy: -73.162
Base-Backbone interact. energy: 0.221
local terms energy: -126.422066
where:
bonds (distance) C4'-P energy: -28.981
bonds (distance) P-C4' energy: -36.545
flat angles C4'-P-C4' energy: -24.524
flat angles P-C4'-P energy: -27.591
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -147.025115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.025115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.025115 (E_RNA)
where:
Base-Base interactions energy: -51.955
where: short stacking energy: -41.991
Base-Backbone interact. energy: -1.385
local terms energy: -93.685871
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -35.010
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: 10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -150.763591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.763591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.763591 (E_RNA)
where:
Base-Base interactions energy: -43.252
where: short stacking energy: -26.915
Base-Backbone interact. energy: -0.693
local terms energy: -108.185021
where:
bonds (distance) C4'-P energy: -32.316
bonds (distance) P-C4' energy: -32.873
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: 4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.366 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -581.014966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.014966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.014966 (E_RNA)
where:
Base-Base interactions energy: -410.789
where: short stacking energy: -162.048
Base-Backbone interact. energy: -0.727
local terms energy: -169.498475
where:
bonds (distance) C4'-P energy: -33.945
bonds (distance) P-C4' energy: -34.293
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -42.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -570.930904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.930904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.930904 (E_RNA)
where:
Base-Base interactions energy: -396.572
where: short stacking energy: -165.932
Base-Backbone interact. energy: 1.152
local terms energy: -175.510943
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -38.164
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -49.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -509.690120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.690120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.690120 (E_RNA)
where:
Base-Base interactions energy: -349.968
where: short stacking energy: -148.470
Base-Backbone interact. energy: -0.413
local terms energy: -159.309323
where:
bonds (distance) C4'-P energy: -33.016
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -31.404
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -46.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -492.219463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.219463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.219463 (E_RNA)
where:
Base-Base interactions energy: -341.496
where: short stacking energy: -148.591
Base-Backbone interact. energy: 0.684
local terms energy: -151.407633
where:
bonds (distance) C4'-P energy: -32.539
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -32.809
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -37.947
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: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -439.937394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.937394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.937394 (E_RNA)
where:
Base-Base interactions energy: -304.344
where: short stacking energy: -132.374
Base-Backbone interact. energy: -1.074
local terms energy: -134.576471
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -31.742
flat angles C4'-P-C4' energy: -34.321
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -29.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.057 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -427.598725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.598725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.598725 (E_RNA)
where:
Base-Base interactions energy: -278.643
where: short stacking energy: -121.652
Base-Backbone interact. energy: 0.006
local terms energy: -148.962365
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -32.788
flat angles C4'-P-C4' energy: -34.377
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -32.056
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: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -288.396384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.396384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.396384 (E_RNA)
where:
Base-Base interactions energy: -166.291
where: short stacking energy: -91.851
Base-Backbone interact. energy: 0.458
local terms energy: -122.563258
where:
bonds (distance) C4'-P energy: -34.881
bonds (distance) P-C4' energy: -26.576
flat angles C4'-P-C4' energy: -29.530
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -272.599999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.599999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.599999 (E_RNA)
where:
Base-Base interactions energy: -161.814
where: short stacking energy: -87.393
Base-Backbone interact. energy: -1.492
local terms energy: -109.294223
where:
bonds (distance) C4'-P energy: -3.106
bonds (distance) P-C4' energy: -36.677
flat angles C4'-P-C4' energy: -35.643
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -173.477533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.477533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.477533 (E_RNA)
where:
Base-Base interactions energy: -70.178
where: short stacking energy: -36.872
Base-Backbone interact. energy: -0.333
local terms energy: -102.966902
where:
bonds (distance) C4'-P energy: -29.726
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -1.733
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: 121
Temperature: 1.350000
Total energy: -151.486661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.486661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.486661 (E_RNA)
where:
Base-Base interactions energy: -57.865
where: short stacking energy: -45.298
Base-Backbone interact. energy: 0.838
local terms energy: -96.687745
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -34.480
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -3.789
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: 2.228 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -583.326015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.326015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.326015 (E_RNA)
where:
Base-Base interactions energy: -409.327
where: short stacking energy: -172.733
Base-Backbone interact. energy: 0.033
local terms energy: -174.032494
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -36.877
flat angles C4'-P-C4' energy: -31.262
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -50.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -557.812703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.812703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.812703 (E_RNA)
where:
Base-Base interactions energy: -387.537
where: short stacking energy: -153.194
Base-Backbone interact. energy: -0.587
local terms energy: -169.688280
where:
bonds (distance) C4'-P energy: -26.873
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -35.812
flat angles P-C4'-P energy: -24.500
tors. eta vs tors. theta energy: -42.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -526.900969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.900969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.900969 (E_RNA)
where:
Base-Base interactions energy: -363.065
where: short stacking energy: -155.079
Base-Backbone interact. energy: -0.149
local terms energy: -163.686860
where:
bonds (distance) C4'-P energy: -31.140
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -37.970
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -41.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -491.112452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.112452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.112452 (E_RNA)
where:
Base-Base interactions energy: -328.172
where: short stacking energy: -126.764
Base-Backbone interact. energy: -0.856
local terms energy: -162.085027
where:
bonds (distance) C4'-P energy: -31.218
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -37.202
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -44.719
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: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -445.499918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.499918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.499918 (E_RNA)
where:
Base-Base interactions energy: -302.923
where: short stacking energy: -126.449
Base-Backbone interact. energy: -0.258
local terms energy: -142.319338
where:
bonds (distance) C4'-P energy: -38.248
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -33.536
flat angles P-C4'-P energy: -23.689
tors. eta vs tors. theta energy: -29.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -420.078880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.078880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.078880 (E_RNA)
where:
Base-Base interactions energy: -271.305
where: short stacking energy: -105.096
Base-Backbone interact. energy: -0.919
local terms energy: -148.338205
where:
bonds (distance) C4'-P energy: -35.934
bonds (distance) P-C4' energy: -31.576
flat angles C4'-P-C4' energy: -36.271
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -29.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.484 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -287.179701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.179701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.179701 (E_RNA)
where:
Base-Base interactions energy: -161.328
where: short stacking energy: -73.529
Base-Backbone interact. energy: -2.222
local terms energy: -123.629467
where:
bonds (distance) C4'-P energy: -30.194
bonds (distance) P-C4' energy: -36.503
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: -9.948
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: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -198.758661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.758661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.758661 (E_RNA)
where:
Base-Base interactions energy: -109.079
where: short stacking energy: -56.477
Base-Backbone interact. energy: 0.404
local terms energy: -90.083482
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -31.485
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -1.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -195.058908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.058908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.058908 (E_RNA)
where:
Base-Base interactions energy: -94.622
where: short stacking energy: -37.408
Base-Backbone interact. energy: 4.293
local terms energy: -104.729994
where:
bonds (distance) C4'-P energy: -32.173
bonds (distance) P-C4' energy: -29.552
flat angles C4'-P-C4' energy: -28.941
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: 4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -157.700608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.700608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.700608 (E_RNA)
where:
Base-Base interactions energy: -64.155
where: short stacking energy: -45.239
Base-Backbone interact. energy: -0.287
local terms energy: -93.258456
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -24.800
flat angles C4'-P-C4' energy: -25.284
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -592.791320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.791320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.791320 (E_RNA)
where:
Base-Base interactions energy: -410.671
where: short stacking energy: -170.819
Base-Backbone interact. energy: -0.604
local terms energy: -181.515685
where:
bonds (distance) C4'-P energy: -37.021
bonds (distance) P-C4' energy: -34.574
flat angles C4'-P-C4' energy: -35.585
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -50.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -567.013583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.013583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.013583 (E_RNA)
where:
Base-Base interactions energy: -385.158
where: short stacking energy: -166.458
Base-Backbone interact. energy: -0.471
local terms energy: -181.384269
where:
bonds (distance) C4'-P energy: -30.070
bonds (distance) P-C4' energy: -37.793
flat angles C4'-P-C4' energy: -35.938
flat angles P-C4'-P energy: -24.933
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: 3, replica: 4
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -564.183642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.183642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.183642 (E_RNA)
where:
Base-Base interactions energy: -387.427
where: short stacking energy: -157.304
Base-Backbone interact. energy: -0.160
local terms energy: -176.596395
where:
bonds (distance) C4'-P energy: -33.914
bonds (distance) P-C4' energy: -34.754
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -28.391
tors. eta vs tors. theta energy: -45.861
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: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -462.074112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.074112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.074112 (E_RNA)
where:
Base-Base interactions energy: -313.919
where: short stacking energy: -119.847
Base-Backbone interact. energy: -0.625
local terms energy: -147.529774
where:
bonds (distance) C4'-P energy: -21.901
bonds (distance) P-C4' energy: -36.222
flat angles C4'-P-C4' energy: -38.402
flat angles P-C4'-P energy: -18.575
tors. eta vs tors. theta energy: -32.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -487.321034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.321034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.321034 (E_RNA)
where:
Base-Base interactions energy: -335.932
where: short stacking energy: -135.578
Base-Backbone interact. energy: -0.748
local terms energy: -150.641465
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -37.099
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: -39.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -374.585010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.585010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.585010 (E_RNA)
where:
Base-Base interactions energy: -243.695
where: short stacking energy: -98.270
Base-Backbone interact. energy: -0.433
local terms energy: -130.456735
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -33.564
flat angles P-C4'-P energy: -21.408
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -284.953239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.953239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.953239 (E_RNA)
where:
Base-Base interactions energy: -181.900
where: short stacking energy: -93.145
Base-Backbone interact. energy: -0.716
local terms energy: -102.337726
where:
bonds (distance) C4'-P energy: -30.063
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -22.918
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -10.279
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: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -164.125595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.125595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.125595 (E_RNA)
where:
Base-Base interactions energy: -56.908
where: short stacking energy: -37.293
Base-Backbone interact. energy: 1.086
local terms energy: -109.510761
where:
bonds (distance) C4'-P energy: -29.153
bonds (distance) P-C4' energy: -36.393
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.207 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -165.525997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.525997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.525997 (E_RNA)
where:
Base-Base interactions energy: -60.061
where: short stacking energy: -47.726
Base-Backbone interact. energy: -2.684
local terms energy: -102.780962
where:
bonds (distance) C4'-P energy: -26.442
bonds (distance) P-C4' energy: -31.059
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -21.350
tors. eta vs tors. theta energy: 5.529
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: 123
Temperature: 1.350000
Total energy: -149.050890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.050890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.050890 (E_RNA)
where:
Base-Base interactions energy: -45.228
where: short stacking energy: -34.844
Base-Backbone interact. energy: -0.385
local terms energy: -103.437464
where:
bonds (distance) C4'-P energy: -29.063
bonds (distance) P-C4' energy: -30.737
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -582.866171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.866171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.866171 (E_RNA)
where:
Base-Base interactions energy: -405.196
where: short stacking energy: -166.764
Base-Backbone interact. energy: -1.656
local terms energy: -176.013952
where:
bonds (distance) C4'-P energy: -35.475
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -37.454
flat angles P-C4'-P energy: -24.489
tors. eta vs tors. theta energy: -50.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -542.427801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.427801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.427801 (E_RNA)
where:
Base-Base interactions energy: -373.005
where: short stacking energy: -163.935
Base-Backbone interact. energy: -1.236
local terms energy: -168.186017
where:
bonds (distance) C4'-P energy: -31.167
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -22.592
tors. eta vs tors. theta energy: -53.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -559.651164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.651164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.651164 (E_RNA)
where:
Base-Base interactions energy: -394.338
where: short stacking energy: -154.077
Base-Backbone interact. energy: 0.027
local terms energy: -165.340082
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -35.135
flat angles P-C4'-P energy: -23.082
tors. eta vs tors. theta energy: -44.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -490.201189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.201189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.201189 (E_RNA)
where:
Base-Base interactions energy: -324.832
where: short stacking energy: -139.783
Base-Backbone interact. energy: -0.469
local terms energy: -164.900344
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -37.633
flat angles P-C4'-P energy: -25.940
tors. eta vs tors. theta energy: -35.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -491.756097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.756097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.756097 (E_RNA)
where:
Base-Base interactions energy: -342.727
where: short stacking energy: -147.577
Base-Backbone interact. energy: -0.392
local terms energy: -148.637028
where:
bonds (distance) C4'-P energy: -31.710
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -41.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -412.297357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.297357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.297357 (E_RNA)
where:
Base-Base interactions energy: -281.531
where: short stacking energy: -121.431
Base-Backbone interact. energy: -0.818
local terms energy: -129.947405
where:
bonds (distance) C4'-P energy: -24.072
bonds (distance) P-C4' energy: -27.911
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -19.240
tors. eta vs tors. theta energy: -28.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -273.805390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.805390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.805390 (E_RNA)
where:
Base-Base interactions energy: -160.566
where: short stacking energy: -81.755
Base-Backbone interact. energy: -0.940
local terms energy: -112.299593
where:
bonds (distance) C4'-P energy: -29.055
bonds (distance) P-C4' energy: -28.576
flat angles C4'-P-C4' energy: -27.452
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -12.106
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: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -175.417398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.417398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.417398 (E_RNA)
where:
Base-Base interactions energy: -80.665
where: short stacking energy: -56.570
Base-Backbone interact. energy: -0.979
local terms energy: -93.982741
where:
bonds (distance) C4'-P energy: -27.506
bonds (distance) P-C4' energy: -30.290
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: 1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.209 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -173.946887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.946887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.946887 (E_RNA)
where:
Base-Base interactions energy: -81.615
where: short stacking energy: -55.294
Base-Backbone interact. energy: -1.455
local terms energy: -90.876081
where:
bonds (distance) C4'-P energy: -28.222
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: 2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -152.735912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.735912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.735912 (E_RNA)
where:
Base-Base interactions energy: -61.757
where: short stacking energy: -50.695
Base-Backbone interact. energy: 0.893
local terms energy: -92.317400
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -28.226
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.445 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -600.523246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.523246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.523246 (E_RNA)
where:
Base-Base interactions energy: -419.533
where: short stacking energy: -180.165
Base-Backbone interact. energy: -0.207
local terms energy: -180.783724
where:
bonds (distance) C4'-P energy: -28.053
bonds (distance) P-C4' energy: -31.793
flat angles C4'-P-C4' energy: -42.437
flat angles P-C4'-P energy: -25.230
tors. eta vs tors. theta energy: -53.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -564.469480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.469480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.469480 (E_RNA)
where:
Base-Base interactions energy: -390.089
where: short stacking energy: -164.023
Base-Backbone interact. energy: -0.685
local terms energy: -173.695077
where:
bonds (distance) C4'-P energy: -28.910
bonds (distance) P-C4' energy: -33.011
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -49.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -550.668604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.668604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.668604 (E_RNA)
where:
Base-Base interactions energy: -366.915
where: short stacking energy: -160.480
Base-Backbone interact. energy: -1.522
local terms energy: -182.231978
where:
bonds (distance) C4'-P energy: -34.959
bonds (distance) P-C4' energy: -30.091
flat angles C4'-P-C4' energy: -41.612
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -56.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -491.095193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.095193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.095193 (E_RNA)
where:
Base-Base interactions energy: -322.663
where: short stacking energy: -139.354
Base-Backbone interact. energy: -0.789
local terms energy: -167.643742
where:
bonds (distance) C4'-P energy: -34.004
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -39.115
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -41.620
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: 125
Temperature: 1.100000
Total energy: -475.581086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.581086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.581086 (E_RNA)
where:
Base-Base interactions energy: -321.527
where: short stacking energy: -143.109
Base-Backbone interact. energy: -0.455
local terms energy: -153.598821
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -33.706
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -28.973
tors. eta vs tors. theta energy: -38.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -432.515340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.515340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.515340 (E_RNA)
where:
Base-Base interactions energy: -288.334
where: short stacking energy: -125.402
Base-Backbone interact. energy: -0.224
local terms energy: -143.957933
where:
bonds (distance) C4'-P energy: -32.013
bonds (distance) P-C4' energy: -32.672
flat angles C4'-P-C4' energy: -28.235
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -32.918
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: 7, replica: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -284.343562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.343562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.343562 (E_RNA)
where:
Base-Base interactions energy: -158.941
where: short stacking energy: -80.088
Base-Backbone interact. energy: -0.522
local terms energy: -126.352930
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -32.883
flat angles C4'-P-C4' energy: -32.787
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -11.507
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: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -207.885712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.885712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.885712 (E_RNA)
where:
Base-Base interactions energy: -103.612
where: short stacking energy: -63.296
Base-Backbone interact. energy: 0.007
local terms energy: -104.281058
where:
bonds (distance) C4'-P energy: -26.086
bonds (distance) P-C4' energy: -35.479
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -173.896936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.896936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.896936 (E_RNA)
where:
Base-Base interactions energy: -75.113
where: short stacking energy: -59.505
Base-Backbone interact. energy: 0.991
local terms energy: -99.774478
where:
bonds (distance) C4'-P energy: -26.972
bonds (distance) P-C4' energy: -33.579
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -9.708
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: 125
Temperature: 1.350000
Total energy: -143.702227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.702227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.702227 (E_RNA)
where:
Base-Base interactions energy: -50.859
where: short stacking energy: -29.933
Base-Backbone interact. energy: -0.431
local terms energy: -93.148793
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -38.851
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: 5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.736 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -592.419681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.419681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.419681 (E_RNA)
where:
Base-Base interactions energy: -409.550
where: short stacking energy: -175.264
Base-Backbone interact. energy: -0.716
local terms energy: -182.666068
where:
bonds (distance) C4'-P energy: -36.921
bonds (distance) P-C4' energy: -36.108
flat angles C4'-P-C4' energy: -32.466
flat angles P-C4'-P energy: -23.795
tors. eta vs tors. theta energy: -53.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.512 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -565.932507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.932507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.932507 (E_RNA)
where:
Base-Base interactions energy: -399.454
where: short stacking energy: -166.849
Base-Backbone interact. energy: -0.343
local terms energy: -166.135358
where:
bonds (distance) C4'-P energy: -31.698
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -33.125
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -47.252
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: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -521.689620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.689620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.689620 (E_RNA)
where:
Base-Base interactions energy: -354.956
where: short stacking energy: -160.805
Base-Backbone interact. energy: -0.006
local terms energy: -166.728211
where:
bonds (distance) C4'-P energy: -29.672
bonds (distance) P-C4' energy: -25.116
flat angles C4'-P-C4' energy: -35.655
flat angles P-C4'-P energy: -25.505
tors. eta vs tors. theta energy: -50.781
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: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -504.028422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.028422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.028422 (E_RNA)
where:
Base-Base interactions energy: -340.620
where: short stacking energy: -153.108
Base-Backbone interact. energy: -0.614
local terms energy: -162.794172
where:
bonds (distance) C4'-P energy: -22.607
bonds (distance) P-C4' energy: -32.328
flat angles C4'-P-C4' energy: -35.362
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -50.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -452.619201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.619201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.619201 (E_RNA)
where:
Base-Base interactions energy: -306.550
where: short stacking energy: -134.833
Base-Backbone interact. energy: 1.143
local terms energy: -147.212505
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: -36.547
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: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -382.820252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.820252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.820252 (E_RNA)
where:
Base-Base interactions energy: -236.738
where: short stacking energy: -100.286
Base-Backbone interact. energy: -0.664
local terms energy: -145.916531
where:
bonds (distance) C4'-P energy: -27.631
bonds (distance) P-C4' energy: -36.171
flat angles C4'-P-C4' energy: -33.945
flat angles P-C4'-P energy: -25.891
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.499 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -278.487643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.487643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.487643 (E_RNA)
where:
Base-Base interactions energy: -162.927
where: short stacking energy: -83.916
Base-Backbone interact. energy: 3.612
local terms energy: -119.172734
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -35.640
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -171.315309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.315309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.315309 (E_RNA)
where:
Base-Base interactions energy: -69.664
where: short stacking energy: -59.247
Base-Backbone interact. energy: -0.635
local terms energy: -101.017095
where:
bonds (distance) C4'-P energy: -31.455
bonds (distance) P-C4' energy: -28.159
flat angles C4'-P-C4' energy: -25.725
flat angles P-C4'-P energy: -14.513
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: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -162.988932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.988932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.988932 (E_RNA)
where:
Base-Base interactions energy: -56.862
where: short stacking energy: -36.975
Base-Backbone interact. energy: 1.781
local terms energy: -107.907999
where:
bonds (distance) C4'-P energy: -32.816
bonds (distance) P-C4' energy: -32.842
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -149.790266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.790266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.790266 (E_RNA)
where:
Base-Base interactions energy: -54.995
where: short stacking energy: -38.367
Base-Backbone interact. energy: -2.402
local terms energy: -92.393371
where:
bonds (distance) C4'-P energy: -28.621
bonds (distance) P-C4' energy: -36.918
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: 7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -592.317754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.317754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.317754 (E_RNA)
where:
Base-Base interactions energy: -399.453
where: short stacking energy: -168.629
Base-Backbone interact. energy: -1.146
local terms energy: -191.718960
where:
bonds (distance) C4'-P energy: -36.033
bonds (distance) P-C4' energy: -39.276
flat angles C4'-P-C4' energy: -36.491
flat angles P-C4'-P energy: -29.013
tors. eta vs tors. theta energy: -50.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -552.270596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.270596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.270596 (E_RNA)
where:
Base-Base interactions energy: -383.151
where: short stacking energy: -152.460
Base-Backbone interact. energy: -1.162
local terms energy: -167.957896
where:
bonds (distance) C4'-P energy: -30.301
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -35.130
flat angles P-C4'-P energy: -19.493
tors. eta vs tors. theta energy: -47.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -527.080327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.080327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.080327 (E_RNA)
where:
Base-Base interactions energy: -355.206
where: short stacking energy: -156.583
Base-Backbone interact. energy: -0.152
local terms energy: -171.722630
where:
bonds (distance) C4'-P energy: -35.235
bonds (distance) P-C4' energy: -28.851
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -24.869
tors. eta vs tors. theta energy: -50.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -470.138042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.138042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.138042 (E_RNA)
where:
Base-Base interactions energy: -307.937
where: short stacking energy: -141.993
Base-Backbone interact. energy: -0.744
local terms energy: -161.457465
where:
bonds (distance) C4'-P energy: -30.213
bonds (distance) P-C4' energy: -35.777
flat angles C4'-P-C4' energy: -33.750
flat angles P-C4'-P energy: -24.590
tors. eta vs tors. theta energy: -37.128
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: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -480.272718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.272718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.272718 (E_RNA)
where:
Base-Base interactions energy: -319.239
where: short stacking energy: -131.232
Base-Backbone interact. energy: 0.103
local terms energy: -161.136698
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -37.368
flat angles P-C4'-P energy: -22.893
tors. eta vs tors. theta energy: -40.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -380.673724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.673724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.673724 (E_RNA)
where:
Base-Base interactions energy: -237.517
where: short stacking energy: -116.341
Base-Backbone interact. energy: -0.128
local terms energy: -143.181411
where:
bonds (distance) C4'-P energy: -32.909
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -27.368
flat angles P-C4'-P energy: -25.890
tors. eta vs tors. theta energy: -22.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.152 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -275.825663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.825663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.825663 (E_RNA)
where:
Base-Base interactions energy: -153.434
where: short stacking energy: -94.407
Base-Backbone interact. energy: -0.984
local terms energy: -121.407666
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -23.292
flat angles P-C4'-P energy: -22.293
tors. eta vs tors. theta energy: -18.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -181.091058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.091058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.091058 (E_RNA)
where:
Base-Base interactions energy: -63.630
where: short stacking energy: -60.184
Base-Backbone interact. energy: -0.907
local terms energy: -116.554823
where:
bonds (distance) C4'-P energy: -31.150
bonds (distance) P-C4' energy: -33.262
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -13.392
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: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -176.578153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.578153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.578153 (E_RNA)
where:
Base-Base interactions energy: -59.711
where: short stacking energy: -55.464
Base-Backbone interact. energy: 0.908
local terms energy: -117.775805
where:
bonds (distance) C4'-P energy: -30.644
bonds (distance) P-C4' energy: -31.698
flat angles C4'-P-C4' energy: -32.463
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -138.516644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.516644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.516644 (E_RNA)
where:
Base-Base interactions energy: -39.412
where: short stacking energy: -39.891
Base-Backbone interact. energy: -0.927
local terms energy: -98.177403
where:
bonds (distance) C4'-P energy: -28.672
bonds (distance) P-C4' energy: -31.998
flat angles C4'-P-C4' energy: -26.356
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: 0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -579.755515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.755515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.755515 (E_RNA)
where:
Base-Base interactions energy: -407.660
where: short stacking energy: -168.324
Base-Backbone interact. energy: -1.027
local terms energy: -171.474389
where:
bonds (distance) C4'-P energy: -25.267
bonds (distance) P-C4' energy: -33.992
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -51.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.406 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -548.852898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.852898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.852898 (E_RNA)
where:
Base-Base interactions energy: -387.971
where: short stacking energy: -158.716
Base-Backbone interact. energy: -0.293
local terms energy: -160.923380
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -34.821
flat angles C4'-P-C4' energy: -34.115
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -40.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.334 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -520.548955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.548955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.548955 (E_RNA)
where:
Base-Base interactions energy: -358.671
where: short stacking energy: -147.458
Base-Backbone interact. energy: 1.208
local terms energy: -163.086238
where:
bonds (distance) C4'-P energy: -34.251
bonds (distance) P-C4' energy: -34.686
flat angles C4'-P-C4' energy: -30.096
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: -42.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -470.448982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.448982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.448982 (E_RNA)
where:
Base-Base interactions energy: -304.161
where: short stacking energy: -132.521
Base-Backbone interact. energy: -0.075
local terms energy: -166.213520
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -39.481
flat angles C4'-P-C4' energy: -29.986
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -42.635
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: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -480.621105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.621105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.621105 (E_RNA)
where:
Base-Base interactions energy: -314.834
where: short stacking energy: -128.872
Base-Backbone interact. energy: 0.483
local terms energy: -166.269784
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -31.256
tors. eta vs tors. theta energy: -36.424
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: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -385.856426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.856426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.856426 (E_RNA)
where:
Base-Base interactions energy: -254.374
where: short stacking energy: -115.585
Base-Backbone interact. energy: -0.875
local terms energy: -130.607094
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -27.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -286.724047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.724047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.724047 (E_RNA)
where:
Base-Base interactions energy: -160.288
where: short stacking energy: -79.616
Base-Backbone interact. energy: -0.646
local terms energy: -125.789518
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -34.632
flat angles C4'-P-C4' energy: -30.061
flat angles P-C4'-P energy: -19.820
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: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -169.758861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.758861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.758861 (E_RNA)
where:
Base-Base interactions energy: -81.273
where: short stacking energy: -67.244
Base-Backbone interact. energy: 1.818
local terms energy: -90.304013
where:
bonds (distance) C4'-P energy: -30.548
bonds (distance) P-C4' energy: -25.903
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -5.145
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: 128
Temperature: 1.300000
Total energy: -176.908591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.908591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.908591 (E_RNA)
where:
Base-Base interactions energy: -61.818
where: short stacking energy: -40.099
Base-Backbone interact. energy: -0.562
local terms energy: -114.570903
where:
bonds (distance) C4'-P energy: -30.226
bonds (distance) P-C4' energy: -33.404
flat angles C4'-P-C4' energy: -37.468
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: 0.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.043 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -157.756206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.756206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.756206 (E_RNA)
where:
Base-Base interactions energy: -54.597
where: short stacking energy: -36.182
Base-Backbone interact. energy: -0.412
local terms energy: -102.747156
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -35.245
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: 1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -569.741394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.741394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.741394 (E_RNA)
where:
Base-Base interactions energy: -391.169
where: short stacking energy: -167.709
Base-Backbone interact. energy: -1.233
local terms energy: -177.934710
where:
bonds (distance) C4'-P energy: -34.193
bonds (distance) P-C4' energy: -36.176
flat angles C4'-P-C4' energy: -34.296
flat angles P-C4'-P energy: -25.299
tors. eta vs tors. theta energy: -47.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.595 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -548.343978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.343978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.343978 (E_RNA)
where:
Base-Base interactions energy: -385.868
where: short stacking energy: -154.839
Base-Backbone interact. energy: 0.187
local terms energy: -162.744623
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -32.310
flat angles C4'-P-C4' energy: -39.219
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -39.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.082 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -532.735781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.735781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.735781 (E_RNA)
where:
Base-Base interactions energy: -356.510
where: short stacking energy: -157.720
Base-Backbone interact. energy: -0.450
local terms energy: -175.776432
where:
bonds (distance) C4'-P energy: -29.196
bonds (distance) P-C4' energy: -31.461
flat angles C4'-P-C4' energy: -40.238
flat angles P-C4'-P energy: -26.773
tors. eta vs tors. theta energy: -48.109
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: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -499.187704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.187704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.187704 (E_RNA)
where:
Base-Base interactions energy: -324.989
where: short stacking energy: -144.049
Base-Backbone interact. energy: -0.574
local terms energy: -173.624382
where:
bonds (distance) C4'-P energy: -35.384
bonds (distance) P-C4' energy: -31.967
flat angles C4'-P-C4' energy: -32.928
flat angles P-C4'-P energy: -29.426
tors. eta vs tors. theta energy: -43.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -454.683750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.683750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.683750 (E_RNA)
where:
Base-Base interactions energy: -312.932
where: short stacking energy: -120.208
Base-Backbone interact. energy: -0.469
local terms energy: -141.283448
where:
bonds (distance) C4'-P energy: -31.803
bonds (distance) P-C4' energy: -31.629
flat angles C4'-P-C4' energy: -36.016
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -32.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -382.625034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.625034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.625034 (E_RNA)
where:
Base-Base interactions energy: -244.080
where: short stacking energy: -98.788
Base-Backbone interact. energy: -0.206
local terms energy: -138.338336
where:
bonds (distance) C4'-P energy: -29.400
bonds (distance) P-C4' energy: -31.924
flat angles C4'-P-C4' energy: -31.145
flat angles P-C4'-P energy: -23.380
tors. eta vs tors. theta energy: -22.490
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: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -278.569141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.569141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.569141 (E_RNA)
where:
Base-Base interactions energy: -164.632
where: short stacking energy: -76.689
Base-Backbone interact. energy: -1.518
local terms energy: -112.720607
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -25.862
flat angles C4'-P-C4' energy: -31.508
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.301 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -221.526679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.526679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.526679 (E_RNA)
where:
Base-Base interactions energy: -115.882
where: short stacking energy: -61.297
Base-Backbone interact. energy: -0.301
local terms energy: -105.343214
where:
bonds (distance) C4'-P energy: -28.651
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -9.991
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: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -152.709162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.709162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.709162 (E_RNA)
where:
Base-Base interactions energy: -48.408
where: short stacking energy: -45.016
Base-Backbone interact. energy: -1.726
local terms energy: -102.574813
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -29.220
flat angles C4'-P-C4' energy: -25.477
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -183.986692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.986692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.986692 (E_RNA)
where:
Base-Base interactions energy: -79.984
where: short stacking energy: -45.156
Base-Backbone interact. energy: 1.210
local terms energy: -105.997579
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -33.189
flat angles C4'-P-C4' energy: -27.886
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.785 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -553.218434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.218434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.218434 (E_RNA)
where:
Base-Base interactions energy: -371.060
where: short stacking energy: -149.890
Base-Backbone interact. energy: -2.602
local terms energy: -179.898048
where:
bonds (distance) C4'-P energy: -30.607
bonds (distance) P-C4' energy: -35.777
flat angles C4'-P-C4' energy: -37.577
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -45.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.342 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -553.008307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.008307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.008307 (E_RNA)
where:
Base-Base interactions energy: -380.179
where: short stacking energy: -152.131
Base-Backbone interact. energy: -1.048
local terms energy: -171.780923
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -40.583
flat angles C4'-P-C4' energy: -35.737
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -44.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -518.789215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.789215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.789215 (E_RNA)
where:
Base-Base interactions energy: -355.308
where: short stacking energy: -153.430
Base-Backbone interact. energy: -0.543
local terms energy: -162.938267
where:
bonds (distance) C4'-P energy: -26.985
bonds (distance) P-C4' energy: -32.350
flat angles C4'-P-C4' energy: -33.954
flat angles P-C4'-P energy: -26.079
tors. eta vs tors. theta energy: -43.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -519.445195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.445195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.445195 (E_RNA)
where:
Base-Base interactions energy: -340.639
where: short stacking energy: -140.367
Base-Backbone interact. energy: -0.298
local terms energy: -178.508126
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -33.313
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -47.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -448.725119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.725119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.725119 (E_RNA)
where:
Base-Base interactions energy: -287.668
where: short stacking energy: -122.017
Base-Backbone interact. energy: -0.657
local terms energy: -160.400159
where:
bonds (distance) C4'-P energy: -39.589
bonds (distance) P-C4' energy: -33.951
flat angles C4'-P-C4' energy: -34.528
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -31.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -389.775104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.775104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.775104 (E_RNA)
where:
Base-Base interactions energy: -260.898
where: short stacking energy: -110.446
Base-Backbone interact. energy: -0.407
local terms energy: -128.470053
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -35.700
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -21.360
tors. eta vs tors. theta energy: -22.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -279.326319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.326319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.326319 (E_RNA)
where:
Base-Base interactions energy: -158.150
where: short stacking energy: -76.733
Base-Backbone interact. energy: -0.972
local terms energy: -120.356656
where:
bonds (distance) C4'-P energy: -33.117
bonds (distance) P-C4' energy: -26.484
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.153 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -276.376573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.376573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.376573 (E_RNA)
where:
Base-Base interactions energy: -174.282
where: short stacking energy: -67.032
Base-Backbone interact. energy: -1.786
local terms energy: -100.308364
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -21.967
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -179.908673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.908673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.908673 (E_RNA)
where:
Base-Base interactions energy: -68.947
where: short stacking energy: -54.164
Base-Backbone interact. energy: -0.325
local terms energy: -110.636416
where:
bonds (distance) C4'-P energy: -29.489
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -26.018
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -145.645691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.645691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.645691 (E_RNA)
where:
Base-Base interactions energy: -44.938
where: short stacking energy: -39.490
Base-Backbone interact. energy: -0.770
local terms energy: -99.937427
where:
bonds (distance) C4'-P energy: -35.472
bonds (distance) P-C4' energy: -31.275
flat angles C4'-P-C4' energy: -23.980
flat angles P-C4'-P energy: -3.415
tors. eta vs tors. theta energy: -5.795
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: 10
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -575.394025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.394025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.394025 (E_RNA)
where:
Base-Base interactions energy: -396.964
where: short stacking energy: -162.037
Base-Backbone interact. energy: -1.038
local terms energy: -178.055680
where:
bonds (distance) C4'-P energy: -34.300
bonds (distance) P-C4' energy: -35.782
flat angles C4'-P-C4' energy: -37.107
flat angles P-C4'-P energy: -26.069
tors. eta vs tors. theta energy: -44.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.663 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -538.570142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.570142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.570142 (E_RNA)
where:
Base-Base interactions energy: -381.133
where: short stacking energy: -135.715
Base-Backbone interact. energy: -1.426
local terms energy: -156.011638
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -38.397
flat angles C4'-P-C4' energy: -33.674
flat angles P-C4'-P energy: -19.546
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: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -512.909557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.909557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.909557 (E_RNA)
where:
Base-Base interactions energy: -351.572
where: short stacking energy: -150.149
Base-Backbone interact. energy: -0.410
local terms energy: -160.927724
where:
bonds (distance) C4'-P energy: -26.262
bonds (distance) P-C4' energy: -33.675
flat angles C4'-P-C4' energy: -37.581
flat angles P-C4'-P energy: -25.116
tors. eta vs tors. theta energy: -38.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -512.499495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.499495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.499495 (E_RNA)
where:
Base-Base interactions energy: -361.363
where: short stacking energy: -141.833
Base-Backbone interact. energy: -0.450
local terms energy: -151.276544
where:
bonds (distance) C4'-P energy: -28.803
bonds (distance) P-C4' energy: -28.641
flat angles C4'-P-C4' energy: -34.178
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -41.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.590 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -470.123345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.123345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.123345 (E_RNA)
where:
Base-Base interactions energy: -315.840
where: short stacking energy: -124.012
Base-Backbone interact. energy: -0.628
local terms energy: -153.655072
where:
bonds (distance) C4'-P energy: -29.186
bonds (distance) P-C4' energy: -41.217
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -34.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -374.701899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.701899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.701899 (E_RNA)
where:
Base-Base interactions energy: -233.605
where: short stacking energy: -124.434
Base-Backbone interact. energy: -0.771
local terms energy: -140.325692
where:
bonds (distance) C4'-P energy: -29.037
bonds (distance) P-C4' energy: -30.854
flat angles C4'-P-C4' energy: -33.667
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -32.702
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: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -276.185337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.185337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.185337 (E_RNA)
where:
Base-Base interactions energy: -159.117
where: short stacking energy: -77.655
Base-Backbone interact. energy: -0.245
local terms energy: -116.823743
where:
bonds (distance) C4'-P energy: -31.317
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -288.616395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.616395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.616395 (E_RNA)
where:
Base-Base interactions energy: -195.104
where: short stacking energy: -89.742
Base-Backbone interact. energy: 0.000
local terms energy: -93.512250
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -32.392
flat angles C4'-P-C4' energy: -22.649
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -7.735
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: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -159.028855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.028855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.028855 (E_RNA)
where:
Base-Base interactions energy: -51.014
where: short stacking energy: -44.259
Base-Backbone interact. energy: 0.876
local terms energy: -108.890853
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -37.267
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -158.694874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.694874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.694874 (E_RNA)
where:
Base-Base interactions energy: -69.077
where: short stacking energy: -55.943
Base-Backbone interact. energy: -0.873
local terms energy: -88.744624
where:
bonds (distance) C4'-P energy: -20.093
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -550.361616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.361616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.361616 (E_RNA)
where:
Base-Base interactions energy: -377.745
where: short stacking energy: -144.455
Base-Backbone interact. energy: -1.323
local terms energy: -171.294002
where:
bonds (distance) C4'-P energy: -32.871
bonds (distance) P-C4' energy: -33.603
flat angles C4'-P-C4' energy: -36.525
flat angles P-C4'-P energy: -26.436
tors. eta vs tors. theta energy: -41.858
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: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -571.807151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.807151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.807151 (E_RNA)
where:
Base-Base interactions energy: -393.222
where: short stacking energy: -169.999
Base-Backbone interact. energy: -0.637
local terms energy: -177.948599
where:
bonds (distance) C4'-P energy: -34.221
bonds (distance) P-C4' energy: -34.357
flat angles C4'-P-C4' energy: -37.643
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -46.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -517.634067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.634067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.634067 (E_RNA)
where:
Base-Base interactions energy: -342.564
where: short stacking energy: -154.013
Base-Backbone interact. energy: -0.590
local terms energy: -174.480406
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -33.268
flat angles P-C4'-P energy: -26.960
tors. eta vs tors. theta energy: -45.334
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: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -508.286585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.286585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.286585 (E_RNA)
where:
Base-Base interactions energy: -341.437
where: short stacking energy: -153.475
Base-Backbone interact. energy: -0.886
local terms energy: -165.963629
where:
bonds (distance) C4'-P energy: -31.054
bonds (distance) P-C4' energy: -31.439
flat angles C4'-P-C4' energy: -30.114
flat angles P-C4'-P energy: -25.376
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: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -465.822789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.822789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.822789 (E_RNA)
where:
Base-Base interactions energy: -315.582
where: short stacking energy: -134.395
Base-Backbone interact. energy: -0.410
local terms energy: -149.830397
where:
bonds (distance) C4'-P energy: -28.066
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -30.300
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -37.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -344.840989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.840989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.840989 (E_RNA)
where:
Base-Base interactions energy: -197.925
where: short stacking energy: -104.610
Base-Backbone interact. energy: -0.437
local terms energy: -146.478731
where:
bonds (distance) C4'-P energy: -30.899
bonds (distance) P-C4' energy: -40.254
flat angles C4'-P-C4' energy: -30.031
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -282.269804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.269804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.269804 (E_RNA)
where:
Base-Base interactions energy: -158.045
where: short stacking energy: -94.103
Base-Backbone interact. energy: -0.393
local terms energy: -123.831301
where:
bonds (distance) C4'-P energy: -27.932
bonds (distance) P-C4' energy: -35.145
flat angles C4'-P-C4' energy: -34.810
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -13.272
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: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -261.135453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.135453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.135453 (E_RNA)
where:
Base-Base interactions energy: -146.733
where: short stacking energy: -78.391
Base-Backbone interact. energy: 0.944
local terms energy: -115.347158
where:
bonds (distance) C4'-P energy: -32.120
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -185.792280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.792280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.792280 (E_RNA)
where:
Base-Base interactions energy: -70.975
where: short stacking energy: -54.490
Base-Backbone interact. energy: -0.457
local terms energy: -116.551144
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -35.268
flat angles C4'-P-C4' energy: -31.167
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -9.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.190 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -142.039941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.039941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.039941 (E_RNA)
where:
Base-Base interactions energy: -51.917
where: short stacking energy: -38.673
Base-Backbone interact. energy: 0.409
local terms energy: -90.531830
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -33.387
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: 2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -557.445894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.445894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.445894 (E_RNA)
where:
Base-Base interactions energy: -387.617
where: short stacking energy: -146.171
Base-Backbone interact. energy: -0.891
local terms energy: -168.937638
where:
bonds (distance) C4'-P energy: -24.433
bonds (distance) P-C4' energy: -37.994
flat angles C4'-P-C4' energy: -34.738
flat angles P-C4'-P energy: -29.682
tors. eta vs tors. theta energy: -42.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -561.895892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.895892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.895892 (E_RNA)
where:
Base-Base interactions energy: -385.659
where: short stacking energy: -154.787
Base-Backbone interact. energy: -0.381
local terms energy: -175.855307
where:
bonds (distance) C4'-P energy: -37.462
bonds (distance) P-C4' energy: -34.485
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -44.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -521.626844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.626844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.626844 (E_RNA)
where:
Base-Base interactions energy: -354.688
where: short stacking energy: -151.539
Base-Backbone interact. energy: -0.412
local terms energy: -168.531797
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -34.570
flat angles C4'-P-C4' energy: -34.595
flat angles P-C4'-P energy: -27.046
tors. eta vs tors. theta energy: -44.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.005 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -507.703861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.703861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.703861 (E_RNA)
where:
Base-Base interactions energy: -345.473
where: short stacking energy: -129.474
Base-Backbone interact. energy: -0.655
local terms energy: -161.576337
where:
bonds (distance) C4'-P energy: -31.216
bonds (distance) P-C4' energy: -34.416
flat angles C4'-P-C4' energy: -35.079
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -40.476
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: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -428.993405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.993405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.993405 (E_RNA)
where:
Base-Base interactions energy: -269.551
where: short stacking energy: -119.724
Base-Backbone interact. energy: -0.222
local terms energy: -159.219829
where:
bonds (distance) C4'-P energy: -36.938
bonds (distance) P-C4' energy: -37.950
flat angles C4'-P-C4' energy: -32.057
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -27.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -367.585007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.585007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.585007 (E_RNA)
where:
Base-Base interactions energy: -232.225
where: short stacking energy: -103.580
Base-Backbone interact. energy: -0.770
local terms energy: -134.589928
where:
bonds (distance) C4'-P energy: -28.668
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -35.566
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -284.679859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.679859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.679859 (E_RNA)
where:
Base-Base interactions energy: -165.312
where: short stacking energy: -69.191
Base-Backbone interact. energy: 0.582
local terms energy: -119.949375
where:
bonds (distance) C4'-P energy: -23.239
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -37.013
flat angles P-C4'-P energy: -21.295
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -233.055062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.055062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.055062 (E_RNA)
where:
Base-Base interactions energy: -119.631
where: short stacking energy: -50.326
Base-Backbone interact. energy: -0.473
local terms energy: -112.951005
where:
bonds (distance) C4'-P energy: -35.471
bonds (distance) P-C4' energy: -41.288
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: 6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -153.631098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.631098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.631098 (E_RNA)
where:
Base-Base interactions energy: -47.167
where: short stacking energy: -47.058
Base-Backbone interact. energy: -0.504
local terms energy: -106.222929
where:
bonds (distance) C4'-P energy: -27.010
bonds (distance) P-C4' energy: -31.051
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -19.755
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.264 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -146.611467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.611467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.611467 (E_RNA)
where:
Base-Base interactions energy: -50.114
where: short stacking energy: -25.581
Base-Backbone interact. energy: -0.411
local terms energy: -96.086752
where:
bonds (distance) C4'-P energy: -30.852
bonds (distance) P-C4' energy: -28.983
flat angles C4'-P-C4' energy: -29.892
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: 9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -566.884878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.884878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.884878 (E_RNA)
where:
Base-Base interactions energy: -392.969
where: short stacking energy: -165.250
Base-Backbone interact. energy: -0.803
local terms energy: -173.112200
where:
bonds (distance) C4'-P energy: -32.958
bonds (distance) P-C4' energy: -39.920
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -48.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -546.550825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.550825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.550825 (E_RNA)
where:
Base-Base interactions energy: -384.270
where: short stacking energy: -142.358
Base-Backbone interact. energy: -3.098
local terms energy: -159.863603
where:
bonds (distance) C4'-P energy: -35.079
bonds (distance) P-C4' energy: -31.066
flat angles C4'-P-C4' energy: -31.008
flat angles P-C4'-P energy: -20.875
tors. eta vs tors. theta energy: -41.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.680 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -516.363460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.363460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.363460 (E_RNA)
where:
Base-Base interactions energy: -355.889
where: short stacking energy: -145.938
Base-Backbone interact. energy: -0.188
local terms energy: -160.286506
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -37.028
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -51.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -490.140658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.140658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.140658 (E_RNA)
where:
Base-Base interactions energy: -340.032
where: short stacking energy: -140.518
Base-Backbone interact. energy: 1.106
local terms energy: -151.214787
where:
bonds (distance) C4'-P energy: -25.797
bonds (distance) P-C4' energy: -36.280
flat angles C4'-P-C4' energy: -36.840
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -39.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -453.581785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.581785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.581785 (E_RNA)
where:
Base-Base interactions energy: -297.813
where: short stacking energy: -133.765
Base-Backbone interact. energy: -0.620
local terms energy: -155.149083
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -36.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -321.573774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.573774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.573774 (E_RNA)
where:
Base-Base interactions energy: -184.773
where: short stacking energy: -89.541
Base-Backbone interact. energy: -0.228
local terms energy: -136.573032
where:
bonds (distance) C4'-P energy: -31.496
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -33.451
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -311.330595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.330595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.330595 (E_RNA)
where:
Base-Base interactions energy: -180.722
where: short stacking energy: -100.699
Base-Backbone interact. energy: 0.458
local terms energy: -131.129677
where:
bonds (distance) C4'-P energy: -32.996
bonds (distance) P-C4' energy: -29.733
flat angles C4'-P-C4' energy: -29.512
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -263.065883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.065883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.065883 (E_RNA)
where:
Base-Base interactions energy: -142.094
where: short stacking energy: -83.068
Base-Backbone interact. energy: -0.344
local terms energy: -120.628307
where:
bonds (distance) C4'-P energy: -28.198
bonds (distance) P-C4' energy: -31.094
flat angles C4'-P-C4' energy: -26.195
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -168.456430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.456430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.456430 (E_RNA)
where:
Base-Base interactions energy: -57.219
where: short stacking energy: -50.481
Base-Backbone interact. energy: -1.269
local terms energy: -109.968445
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -29.935
flat angles C4'-P-C4' energy: -29.283
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -154.660187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.660187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.660187 (E_RNA)
where:
Base-Base interactions energy: -40.760
where: short stacking energy: -40.094
Base-Backbone interact. energy: 0.002
local terms energy: -114.473120
where:
bonds (distance) C4'-P energy: -27.843
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -19.418
tors. eta vs tors. theta energy: 2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.571 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -575.166304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.166304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.166304 (E_RNA)
where:
Base-Base interactions energy: -387.489
where: short stacking energy: -158.427
Base-Backbone interact. energy: -0.944
local terms energy: -186.733333
where:
bonds (distance) C4'-P energy: -36.698
bonds (distance) P-C4' energy: -37.055
flat angles C4'-P-C4' energy: -36.405
flat angles P-C4'-P energy: -25.814
tors. eta vs tors. theta energy: -50.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -520.496898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.496898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.496898 (E_RNA)
where:
Base-Base interactions energy: -345.535
where: short stacking energy: -155.046
Base-Backbone interact. energy: -0.191
local terms energy: -174.770219
where:
bonds (distance) C4'-P energy: -34.146
bonds (distance) P-C4' energy: -34.710
flat angles C4'-P-C4' energy: -31.925
flat angles P-C4'-P energy: -26.731
tors. eta vs tors. theta energy: -47.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -550.979692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.979692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.979692 (E_RNA)
where:
Base-Base interactions energy: -386.655
where: short stacking energy: -148.501
Base-Backbone interact. energy: -0.296
local terms energy: -164.028976
where:
bonds (distance) C4'-P energy: -29.287
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -22.967
tors. eta vs tors. theta energy: -43.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -508.305482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.305482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.305482 (E_RNA)
where:
Base-Base interactions energy: -350.658
where: short stacking energy: -140.438
Base-Backbone interact. energy: -0.235
local terms energy: -157.412462
where:
bonds (distance) C4'-P energy: -30.429
bonds (distance) P-C4' energy: -27.773
flat angles C4'-P-C4' energy: -36.321
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -46.431
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: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -453.863160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.863160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.863160 (E_RNA)
where:
Base-Base interactions energy: -308.730
where: short stacking energy: -128.355
Base-Backbone interact. energy: -0.236
local terms energy: -144.896583
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -30.174
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -34.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -333.477191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.477191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.477191 (E_RNA)
where:
Base-Base interactions energy: -202.488
where: short stacking energy: -97.683
Base-Backbone interact. energy: -0.708
local terms energy: -130.281545
where:
bonds (distance) C4'-P energy: -31.032
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -31.997
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -19.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -272.275697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.275697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.275697 (E_RNA)
where:
Base-Base interactions energy: -133.361
where: short stacking energy: -78.368
Base-Backbone interact. energy: -0.319
local terms energy: -138.595631
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -273.462922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.462922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.462922 (E_RNA)
where:
Base-Base interactions energy: -158.241
where: short stacking energy: -76.775
Base-Backbone interact. energy: 1.205
local terms energy: -116.426918
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -28.496
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -151.739839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.739839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.739839 (E_RNA)
where:
Base-Base interactions energy: -50.742
where: short stacking energy: -39.311
Base-Backbone interact. energy: -1.007
local terms energy: -99.990902
where:
bonds (distance) C4'-P energy: -28.519
bonds (distance) P-C4' energy: -32.008
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -163.135676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.135676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.135676 (E_RNA)
where:
Base-Base interactions energy: -50.071
where: short stacking energy: -47.148
Base-Backbone interact. energy: -0.647
local terms energy: -112.418302
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -37.673
flat angles C4'-P-C4' energy: -35.245
flat angles P-C4'-P energy: -12.341
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: 1, replica: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -581.066717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.066717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.066717 (E_RNA)
where:
Base-Base interactions energy: -405.549
where: short stacking energy: -167.762
Base-Backbone interact. energy: -1.159
local terms energy: -174.358494
where:
bonds (distance) C4'-P energy: -33.264
bonds (distance) P-C4' energy: -34.308
flat angles C4'-P-C4' energy: -32.212
flat angles P-C4'-P energy: -27.155
tors. eta vs tors. theta energy: -47.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -540.331108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.331108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.331108 (E_RNA)
where:
Base-Base interactions energy: -367.846
where: short stacking energy: -171.432
Base-Backbone interact. energy: -0.337
local terms energy: -172.148961
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -28.925
flat angles C4'-P-C4' energy: -34.633
flat angles P-C4'-P energy: -24.160
tors. eta vs tors. theta energy: -55.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -546.619230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.619230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.619230 (E_RNA)
where:
Base-Base interactions energy: -377.848
where: short stacking energy: -152.714
Base-Backbone interact. energy: -0.390
local terms energy: -168.578722
where:
bonds (distance) C4'-P energy: -29.117
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -40.724
flat angles P-C4'-P energy: -25.630
tors. eta vs tors. theta energy: -41.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.198 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -498.993110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.993110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.993110 (E_RNA)
where:
Base-Base interactions energy: -346.600
where: short stacking energy: -151.211
Base-Backbone interact. energy: -0.008
local terms energy: -152.384489
where:
bonds (distance) C4'-P energy: -27.377
bonds (distance) P-C4' energy: -32.985
flat angles C4'-P-C4' energy: -35.627
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -37.958
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: 136
Temperature: 1.100000
Total energy: -451.105215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.105215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.105215 (E_RNA)
where:
Base-Base interactions energy: -316.316
where: short stacking energy: -125.652
Base-Backbone interact. energy: 0.395
local terms energy: -135.184782
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -33.153
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -34.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -359.791230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.791230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.791230 (E_RNA)
where:
Base-Base interactions energy: -218.472
where: short stacking energy: -106.581
Base-Backbone interact. energy: -1.966
local terms energy: -139.353357
where:
bonds (distance) C4'-P energy: -35.791
bonds (distance) P-C4' energy: -30.128
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -23.382
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: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -293.612673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.612673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.612673 (E_RNA)
where:
Base-Base interactions energy: -173.097
where: short stacking energy: -74.185
Base-Backbone interact. energy: -0.149
local terms energy: -120.367144
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -13.980
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: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -269.754999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.754999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.754999 (E_RNA)
where:
Base-Base interactions energy: -146.959
where: short stacking energy: -98.854
Base-Backbone interact. energy: 1.489
local terms energy: -124.284497
where:
bonds (distance) C4'-P energy: -25.973
bonds (distance) P-C4' energy: -32.174
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -26.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -169.268800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.268800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.268800 (E_RNA)
where:
Base-Base interactions energy: -68.533
where: short stacking energy: -52.766
Base-Backbone interact. energy: 2.522
local terms energy: -103.257502
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -147.659830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.659830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.659830 (E_RNA)
where:
Base-Base interactions energy: -50.447
where: short stacking energy: -45.587
Base-Backbone interact. energy: -0.031
local terms energy: -97.182116
where:
bonds (distance) C4'-P energy: -28.781
bonds (distance) P-C4' energy: -32.064
flat angles C4'-P-C4' energy: -27.592
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: 2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -574.607773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.607773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.607773 (E_RNA)
where:
Base-Base interactions energy: -400.524
where: short stacking energy: -174.441
Base-Backbone interact. energy: -0.929
local terms energy: -173.154308
where:
bonds (distance) C4'-P energy: -30.607
bonds (distance) P-C4' energy: -34.923
flat angles C4'-P-C4' energy: -38.365
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: -45.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -558.332375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.332375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.332375 (E_RNA)
where:
Base-Base interactions energy: -392.977
where: short stacking energy: -142.934
Base-Backbone interact. energy: 0.372
local terms energy: -167.688795
where:
bonds (distance) C4'-P energy: -27.237
bonds (distance) P-C4' energy: -34.432
flat angles C4'-P-C4' energy: -37.591
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -44.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.961 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -539.292304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.292304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.292304 (E_RNA)
where:
Base-Base interactions energy: -365.230
where: short stacking energy: -166.610
Base-Backbone interact. energy: -0.003
local terms energy: -174.059290
where:
bonds (distance) C4'-P energy: -29.457
bonds (distance) P-C4' energy: -31.067
flat angles C4'-P-C4' energy: -31.936
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: -56.682
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: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -485.176236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.176236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.176236 (E_RNA)
where:
Base-Base interactions energy: -331.757
where: short stacking energy: -143.726
Base-Backbone interact. energy: -0.113
local terms energy: -153.306682
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -32.291
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -41.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -479.637408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.637408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.637408 (E_RNA)
where:
Base-Base interactions energy: -309.028
where: short stacking energy: -125.050
Base-Backbone interact. energy: -0.852
local terms energy: -169.757505
where:
bonds (distance) C4'-P energy: -31.401
bonds (distance) P-C4' energy: -33.181
flat angles C4'-P-C4' energy: -36.237
flat angles P-C4'-P energy: -24.114
tors. eta vs tors. theta energy: -44.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -322.459779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.459779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.459779 (E_RNA)
where:
Base-Base interactions energy: -191.985
where: short stacking energy: -107.586
Base-Backbone interact. energy: 0.459
local terms energy: -130.933925
where:
bonds (distance) C4'-P energy: -29.166
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -28.896
flat angles P-C4'-P energy: -26.906
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -351.576679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.576679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.576679 (E_RNA)
where:
Base-Base interactions energy: -217.288
where: short stacking energy: -102.970
Base-Backbone interact. energy: -0.612
local terms energy: -133.677014
where:
bonds (distance) C4'-P energy: -30.462
bonds (distance) P-C4' energy: -27.988
flat angles C4'-P-C4' energy: -30.877
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -248.625670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.625670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.625670 (E_RNA)
where:
Base-Base interactions energy: -148.222
where: short stacking energy: -59.786
Base-Backbone interact. energy: -0.744
local terms energy: -99.849600
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -28.801
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.189 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -217.889331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.889331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.889331 (E_RNA)
where:
Base-Base interactions energy: -95.188
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.923
local terms energy: -121.927840
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -33.928
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -25.657
tors. eta vs tors. theta energy: -9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.150 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -147.241542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.241542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.241542 (E_RNA)
where:
Base-Base interactions energy: -49.706
where: short stacking energy: -41.649
Base-Backbone interact. energy: -0.047
local terms energy: -97.673535
where:
bonds (distance) C4'-P energy: -26.662
bonds (distance) P-C4' energy: -25.725
flat angles C4'-P-C4' energy: -26.979
flat angles P-C4'-P energy: -23.514
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: 0.185 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -572.156611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.156611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.156611 (E_RNA)
where:
Base-Base interactions energy: -397.359
where: short stacking energy: -160.157
Base-Backbone interact. energy: 0.224
local terms energy: -175.021144
where:
bonds (distance) C4'-P energy: -34.603
bonds (distance) P-C4' energy: -29.569
flat angles C4'-P-C4' energy: -35.620
flat angles P-C4'-P energy: -27.329
tors. eta vs tors. theta energy: -47.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -543.212411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.212411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.212411 (E_RNA)
where:
Base-Base interactions energy: -366.176
where: short stacking energy: -146.500
Base-Backbone interact. energy: -0.766
local terms energy: -176.599020
where:
bonds (distance) C4'-P energy: -23.077
bonds (distance) P-C4' energy: -38.524
flat angles C4'-P-C4' energy: -39.091
flat angles P-C4'-P energy: -32.387
tors. eta vs tors. theta energy: -43.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.328 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -501.106023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.106023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.106023 (E_RNA)
where:
Base-Base interactions energy: -351.927
where: short stacking energy: -141.137
Base-Backbone interact. energy: 0.825
local terms energy: -150.003428
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -34.242
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -37.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -517.770709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.770709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.770709 (E_RNA)
where:
Base-Base interactions energy: -345.879
where: short stacking energy: -157.446
Base-Backbone interact. energy: -0.164
local terms energy: -171.728061
where:
bonds (distance) C4'-P energy: -33.943
bonds (distance) P-C4' energy: -33.097
flat angles C4'-P-C4' energy: -37.003
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -48.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -438.801416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.801416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.801416 (E_RNA)
where:
Base-Base interactions energy: -275.199
where: short stacking energy: -129.968
Base-Backbone interact. energy: -0.171
local terms energy: -163.432031
where:
bonds (distance) C4'-P energy: -31.549
bonds (distance) P-C4' energy: -31.873
flat angles C4'-P-C4' energy: -35.751
flat angles P-C4'-P energy: -24.364
tors. eta vs tors. theta energy: -39.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -322.345439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.345439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.345439 (E_RNA)
where:
Base-Base interactions energy: -195.991
where: short stacking energy: -96.054
Base-Backbone interact. energy: -0.403
local terms energy: -125.951757
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -33.358
flat angles C4'-P-C4' energy: -24.357
flat angles P-C4'-P energy: -17.672
tors. eta vs tors. theta energy: -21.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -312.539998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.539998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.539998 (E_RNA)
where:
Base-Base interactions energy: -184.556
where: short stacking energy: -107.253
Base-Backbone interact. energy: -0.327
local terms energy: -127.657530
where:
bonds (distance) C4'-P energy: -30.919
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -34.203
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -269.392278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.392278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.392278 (E_RNA)
where:
Base-Base interactions energy: -141.236
where: short stacking energy: -79.686
Base-Backbone interact. energy: -2.022
local terms energy: -126.133667
where:
bonds (distance) C4'-P energy: -33.854
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -26.667
flat angles P-C4'-P energy: -17.774
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -219.230612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.230612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.230612 (E_RNA)
where:
Base-Base interactions energy: -120.983
where: short stacking energy: -80.927
Base-Backbone interact. energy: -0.047
local terms energy: -98.200097
where:
bonds (distance) C4'-P energy: -20.328
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -17.650
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -173.446914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.446914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.446914 (E_RNA)
where:
Base-Base interactions energy: -68.886
where: short stacking energy: -53.460
Base-Backbone interact. energy: 0.203
local terms energy: -104.764520
where:
bonds (distance) C4'-P energy: -27.997
bonds (distance) P-C4' energy: -27.466
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -19.671
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -570.128906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.128906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.128906 (E_RNA)
where:
Base-Base interactions energy: -395.356
where: short stacking energy: -162.553
Base-Backbone interact. energy: -0.821
local terms energy: -173.951950
where:
bonds (distance) C4'-P energy: -35.479
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -25.955
tors. eta vs tors. theta energy: -45.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -543.844367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.844367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.844367 (E_RNA)
where:
Base-Base interactions energy: -378.600
where: short stacking energy: -150.792
Base-Backbone interact. energy: -0.789
local terms energy: -164.455096
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -29.955
tors. eta vs tors. theta energy: -44.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -482.934855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.934855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.934855 (E_RNA)
where:
Base-Base interactions energy: -329.549
where: short stacking energy: -133.029
Base-Backbone interact. energy: -1.219
local terms energy: -152.166055
where:
bonds (distance) C4'-P energy: -31.287
bonds (distance) P-C4' energy: -27.877
flat angles C4'-P-C4' energy: -37.275
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -36.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -518.452239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.452239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.452239 (E_RNA)
where:
Base-Base interactions energy: -353.847
where: short stacking energy: -147.586
Base-Backbone interact. energy: -0.038
local terms energy: -164.566818
where:
bonds (distance) C4'-P energy: -31.535
bonds (distance) P-C4' energy: -33.256
flat angles C4'-P-C4' energy: -31.576
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -49.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -448.996281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.996281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.996281 (E_RNA)
where:
Base-Base interactions energy: -288.633
where: short stacking energy: -138.916
Base-Backbone interact. energy: -0.303
local terms energy: -160.060282
where:
bonds (distance) C4'-P energy: -32.461
bonds (distance) P-C4' energy: -34.878
flat angles C4'-P-C4' energy: -33.947
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: -37.907
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: 139
Temperature: 1.150000
Total energy: -336.446561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.446561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.446561 (E_RNA)
where:
Base-Base interactions energy: -202.088
where: short stacking energy: -111.098
Base-Backbone interact. energy: -0.331
local terms energy: -134.855309
where:
bonds (distance) C4'-P energy: -30.120
bonds (distance) P-C4' energy: -37.058
flat angles C4'-P-C4' energy: -26.376
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.828 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -277.984027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.984027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.984027 (E_RNA)
where:
Base-Base interactions energy: -154.176
where: short stacking energy: -92.650
Base-Backbone interact. energy: -1.131
local terms energy: -122.676138
where:
bonds (distance) C4'-P energy: -29.029
bonds (distance) P-C4' energy: -26.169
flat angles C4'-P-C4' energy: -35.438
flat angles P-C4'-P energy: -19.094
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -204.205211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.205211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.205211 (E_RNA)
where:
Base-Base interactions energy: -95.234
where: short stacking energy: -43.158
Base-Backbone interact. energy: 1.149
local terms energy: -111.278412
where:
bonds (distance) C4'-P energy: -34.241
bonds (distance) P-C4' energy: -33.085
flat angles C4'-P-C4' energy: -25.772
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: 1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.159 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -240.980009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.980009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.980009 (E_RNA)
where:
Base-Base interactions energy: -118.931
where: short stacking energy: -77.600
Base-Backbone interact. energy: -0.358
local terms energy: -121.690208
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -33.414
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -20.093
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -155.380496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.380496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.380496 (E_RNA)
where:
Base-Base interactions energy: -64.321
where: short stacking energy: -41.050
Base-Backbone interact. energy: -0.325
local terms energy: -90.734377
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -35.189
flat angles C4'-P-C4' energy: -27.532
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: 7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -557.540033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.540033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.540033 (E_RNA)
where:
Base-Base interactions energy: -395.646
where: short stacking energy: -145.845
Base-Backbone interact. energy: -0.688
local terms energy: -161.206765
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -28.667
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: -40.711
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: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -563.286315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.286315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.286315 (E_RNA)
where:
Base-Base interactions energy: -390.483
where: short stacking energy: -155.597
Base-Backbone interact. energy: -0.368
local terms energy: -172.435494
where:
bonds (distance) C4'-P energy: -31.899
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -39.052
flat angles P-C4'-P energy: -24.114
tors. eta vs tors. theta energy: -41.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -524.983880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.983880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.983880 (E_RNA)
where:
Base-Base interactions energy: -360.185
where: short stacking energy: -148.838
Base-Backbone interact. energy: -0.101
local terms energy: -164.698494
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -30.050
flat angles C4'-P-C4' energy: -37.189
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -52.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -456.551344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.551344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.551344 (E_RNA)
where:
Base-Base interactions energy: -289.423
where: short stacking energy: -124.110
Base-Backbone interact. energy: -0.565
local terms energy: -166.563785
where:
bonds (distance) C4'-P energy: -35.924
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -41.525
flat angles P-C4'-P energy: -17.932
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -457.376859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.376859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.376859 (E_RNA)
where:
Base-Base interactions energy: -306.008
where: short stacking energy: -133.769
Base-Backbone interact. energy: -0.911
local terms energy: -155.164889
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -32.630
flat angles C4'-P-C4' energy: -29.827
flat angles P-C4'-P energy: -22.648
tors. eta vs tors. theta energy: -35.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.707 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -344.575281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.575281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.575281 (E_RNA)
where:
Base-Base interactions energy: -213.560
where: short stacking energy: -87.331
Base-Backbone interact. energy: -2.396
local terms energy: -128.619952
where:
bonds (distance) C4'-P energy: -27.257
bonds (distance) P-C4' energy: -34.162
flat angles C4'-P-C4' energy: -30.954
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -293.075921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.075921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.075921 (E_RNA)
where:
Base-Base interactions energy: -173.988
where: short stacking energy: -93.662
Base-Backbone interact. energy: 1.388
local terms energy: -120.476616
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -32.601
flat angles C4'-P-C4' energy: -25.649
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -20.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -256.457173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.457173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.457173 (E_RNA)
where:
Base-Base interactions energy: -133.015
where: short stacking energy: -73.288
Base-Backbone interact. energy: -0.051
local terms energy: -123.391270
where:
bonds (distance) C4'-P energy: -32.271
bonds (distance) P-C4' energy: -36.192
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -256.600167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.600167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.600167 (E_RNA)
where:
Base-Base interactions energy: -132.935
where: short stacking energy: -66.719
Base-Backbone interact. energy: -0.520
local terms energy: -123.144940
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -36.644
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -144.403693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.403693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.403693 (E_RNA)
where:
Base-Base interactions energy: -55.354
where: short stacking energy: -39.686
Base-Backbone interact. energy: -0.363
local terms energy: -88.686423
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -32.205
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: 9.522
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: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -562.368064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.368064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.368064 (E_RNA)
where:
Base-Base interactions energy: -398.789
where: short stacking energy: -152.367
Base-Backbone interact. energy: 0.887
local terms energy: -164.465831
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -36.278
flat angles C4'-P-C4' energy: -36.199
flat angles P-C4'-P energy: -21.272
tors. eta vs tors. theta energy: -42.809
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: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -548.055974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.055974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.055974 (E_RNA)
where:
Base-Base interactions energy: -375.470
where: short stacking energy: -162.404
Base-Backbone interact. energy: 0.760
local terms energy: -173.345810
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -37.912
flat angles C4'-P-C4' energy: -38.926
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -50.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -540.647424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.647424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.647424 (E_RNA)
where:
Base-Base interactions energy: -364.272
where: short stacking energy: -157.245
Base-Backbone interact. energy: -0.040
local terms energy: -176.398334
where:
bonds (distance) C4'-P energy: -34.234
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -34.708
flat angles P-C4'-P energy: -26.982
tors. eta vs tors. theta energy: -52.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -488.949078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.949078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.949078 (E_RNA)
where:
Base-Base interactions energy: -305.153
where: short stacking energy: -140.620
Base-Backbone interact. energy: -0.592
local terms energy: -183.339870
where:
bonds (distance) C4'-P energy: -36.577
bonds (distance) P-C4' energy: -33.769
flat angles C4'-P-C4' energy: -38.723
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -44.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.136 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -447.300747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.300747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.300747 (E_RNA)
where:
Base-Base interactions energy: -290.768
where: short stacking energy: -131.289
Base-Backbone interact. energy: -0.339
local terms energy: -156.193088
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -38.836
flat angles C4'-P-C4' energy: -32.912
flat angles P-C4'-P energy: -20.905
tors. eta vs tors. theta energy: -34.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -312.853145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.853145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.853145 (E_RNA)
where:
Base-Base interactions energy: -187.485
where: short stacking energy: -94.665
Base-Backbone interact. energy: 0.970
local terms energy: -127.187755
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -26.249
flat angles P-C4'-P energy: -20.248
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.850 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -318.018739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.018739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.018739 (E_RNA)
where:
Base-Base interactions energy: -174.389
where: short stacking energy: -84.179
Base-Backbone interact. energy: -0.549
local terms energy: -143.356720
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -37.921
flat angles C4'-P-C4' energy: -29.733
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.276 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -279.857436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.857436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.857436 (E_RNA)
where:
Base-Base interactions energy: -138.341
where: short stacking energy: -66.578
Base-Backbone interact. energy: -0.536
local terms energy: -140.981037
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -35.028
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -227.011507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.011507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.011507 (E_RNA)
where:
Base-Base interactions energy: -109.296
where: short stacking energy: -69.371
Base-Backbone interact. energy: 0.996
local terms energy: -118.712247
where:
bonds (distance) C4'-P energy: -26.203
bonds (distance) P-C4' energy: -33.811
flat angles C4'-P-C4' energy: -33.163
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -3.780
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: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -164.800394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.800394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.800394 (E_RNA)
where:
Base-Base interactions energy: -69.429
where: short stacking energy: -39.878
Base-Backbone interact. energy: 0.650
local terms energy: -96.021067
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -31.063
flat angles C4'-P-C4' energy: -25.860
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: 1.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -552.381141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.381141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.381141 (E_RNA)
where:
Base-Base interactions energy: -388.698
where: short stacking energy: -150.877
Base-Backbone interact. energy: -0.342
local terms energy: -163.918681
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -28.716
flat angles C4'-P-C4' energy: -35.544
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -43.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.577 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -562.233500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.233500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.233500 (E_RNA)
where:
Base-Base interactions energy: -379.528
where: short stacking energy: -161.760
Base-Backbone interact. energy: -0.111
local terms energy: -182.593882
where:
bonds (distance) C4'-P energy: -36.419
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -48.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -535.282645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.282645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.282645 (E_RNA)
where:
Base-Base interactions energy: -366.925
where: short stacking energy: -156.858
Base-Backbone interact. energy: -0.265
local terms energy: -168.092797
where:
bonds (distance) C4'-P energy: -32.455
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -36.938
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -47.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -479.778601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.778601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.778601 (E_RNA)
where:
Base-Base interactions energy: -317.677
where: short stacking energy: -146.745
Base-Backbone interact. energy: -1.514
local terms energy: -160.587987
where:
bonds (distance) C4'-P energy: -33.637
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -32.921
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -45.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -440.800294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.800294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.800294 (E_RNA)
where:
Base-Base interactions energy: -288.262
where: short stacking energy: -116.975
Base-Backbone interact. energy: -0.169
local terms energy: -152.369515
where:
bonds (distance) C4'-P energy: -29.454
bonds (distance) P-C4' energy: -36.758
flat angles C4'-P-C4' energy: -37.710
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -28.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -334.112581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.112581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.112581 (E_RNA)
where:
Base-Base interactions energy: -204.965
where: short stacking energy: -84.113
Base-Backbone interact. energy: 1.325
local terms energy: -130.472847
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -34.325
flat angles C4'-P-C4' energy: -29.546
flat angles P-C4'-P energy: -27.109
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -342.725010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.725010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.725010 (E_RNA)
where:
Base-Base interactions energy: -195.703
where: short stacking energy: -97.727
Base-Backbone interact. energy: -1.180
local terms energy: -145.842157
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -33.611
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -29.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -286.858357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.858357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.858357 (E_RNA)
where:
Base-Base interactions energy: -171.207
where: short stacking energy: -90.548
Base-Backbone interact. energy: 0.904
local terms energy: -116.555194
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -30.273
flat angles C4'-P-C4' energy: -26.183
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -163.745898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.745898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.745898 (E_RNA)
where:
Base-Base interactions energy: -66.557
where: short stacking energy: -53.745
Base-Backbone interact. energy: -0.498
local terms energy: -96.691535
where:
bonds (distance) C4'-P energy: -31.403
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -26.449
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -138.920508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.920508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.920508 (E_RNA)
where:
Base-Base interactions energy: -47.956
where: short stacking energy: -33.621
Base-Backbone interact. energy: 0.626
local terms energy: -91.591124
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -16.553
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: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -562.556724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.556724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.556724 (E_RNA)
where:
Base-Base interactions energy: -382.823
where: short stacking energy: -148.987
Base-Backbone interact. energy: -0.588
local terms energy: -181.366730
where:
bonds (distance) C4'-P energy: -30.443
bonds (distance) P-C4' energy: -40.239
flat angles C4'-P-C4' energy: -38.659
flat angles P-C4'-P energy: -26.801
tors. eta vs tors. theta energy: -45.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.221 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -563.261482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.261482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.261482 (E_RNA)
where:
Base-Base interactions energy: -385.136
where: short stacking energy: -147.979
Base-Backbone interact. energy: -0.485
local terms energy: -177.640218
where:
bonds (distance) C4'-P energy: -31.179
bonds (distance) P-C4' energy: -36.172
flat angles C4'-P-C4' energy: -39.333
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -46.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -543.426810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.426810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.426810 (E_RNA)
where:
Base-Base interactions energy: -371.032
where: short stacking energy: -170.222
Base-Backbone interact. energy: -0.014
local terms energy: -172.381131
where:
bonds (distance) C4'-P energy: -29.660
bonds (distance) P-C4' energy: -30.386
flat angles C4'-P-C4' energy: -37.543
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -53.327
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: 143
Temperature: 1.050000
Total energy: -445.927985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.927985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.927985 (E_RNA)
where:
Base-Base interactions energy: -294.651
where: short stacking energy: -135.318
Base-Backbone interact. energy: 1.111
local terms energy: -152.388472
where:
bonds (distance) C4'-P energy: -32.546
bonds (distance) P-C4' energy: -28.839
flat angles C4'-P-C4' energy: -37.526
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -33.507
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: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -460.398362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.398362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.398362 (E_RNA)
where:
Base-Base interactions energy: -310.999
where: short stacking energy: -134.367
Base-Backbone interact. energy: -1.726
local terms energy: -147.673434
where:
bonds (distance) C4'-P energy: -32.588
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -38.161
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: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -335.598133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.598133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.598133 (E_RNA)
where:
Base-Base interactions energy: -197.506
where: short stacking energy: -110.723
Base-Backbone interact. energy: -1.401
local terms energy: -136.690342
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -33.945
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -21.072
tors. eta vs tors. theta energy: -25.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -294.854796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.854796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.854796 (E_RNA)
where:
Base-Base interactions energy: -171.743
where: short stacking energy: -78.766
Base-Backbone interact. energy: -0.283
local terms energy: -122.828589
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -37.755
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -17.900
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: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -262.562103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.562103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.562103 (E_RNA)
where:
Base-Base interactions energy: -133.358
where: short stacking energy: -82.260
Base-Backbone interact. energy: -0.376
local terms energy: -128.827521
where:
bonds (distance) C4'-P energy: -34.280
bonds (distance) P-C4' energy: -28.579
flat angles C4'-P-C4' energy: -32.786
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -17.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -173.351521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.351521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.351521 (E_RNA)
where:
Base-Base interactions energy: -74.920
where: short stacking energy: -59.384
Base-Backbone interact. energy: -0.181
local terms energy: -98.250202
where:
bonds (distance) C4'-P energy: -31.715
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -17.039
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -163.789888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.789888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.789888 (E_RNA)
where:
Base-Base interactions energy: -60.246
where: short stacking energy: -56.380
Base-Backbone interact. energy: 0.493
local terms energy: -104.036435
where:
bonds (distance) C4'-P energy: -27.933
bonds (distance) P-C4' energy: -34.104
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -3.905
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: 1, replica: 10
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -587.151249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.151249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.151249 (E_RNA)
where:
Base-Base interactions energy: -408.645
where: short stacking energy: -167.331
Base-Backbone interact. energy: 0.166
local terms energy: -179.101923
where:
bonds (distance) C4'-P energy: -36.184
bonds (distance) P-C4' energy: -32.693
flat angles C4'-P-C4' energy: -39.144
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -48.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.429 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -558.101908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.101908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.101908 (E_RNA)
where:
Base-Base interactions energy: -394.133
where: short stacking energy: -157.924
Base-Backbone interact. energy: -0.090
local terms energy: -165.221059
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -38.529
flat angles C4'-P-C4' energy: -37.002
flat angles P-C4'-P energy: -21.987
tors. eta vs tors. theta energy: -43.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.342 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -548.918810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.918810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.918810 (E_RNA)
where:
Base-Base interactions energy: -372.164
where: short stacking energy: -165.458
Base-Backbone interact. energy: -0.508
local terms energy: -176.246311
where:
bonds (distance) C4'-P energy: -28.992
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -38.554
flat angles P-C4'-P energy: -25.676
tors. eta vs tors. theta energy: -54.653
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: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -470.762372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.762372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.762372 (E_RNA)
where:
Base-Base interactions energy: -318.964
where: short stacking energy: -139.334
Base-Backbone interact. energy: 0.059
local terms energy: -151.857193
where:
bonds (distance) C4'-P energy: -33.349
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -32.747
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -42.495
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: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -468.524801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.524801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.524801 (E_RNA)
where:
Base-Base interactions energy: -297.612
where: short stacking energy: -145.351
Base-Backbone interact. energy: -0.722
local terms energy: -170.190578
where:
bonds (distance) C4'-P energy: -34.886
bonds (distance) P-C4' energy: -38.174
flat angles C4'-P-C4' energy: -32.904
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -46.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -319.715164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.715164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.715164 (E_RNA)
where:
Base-Base interactions energy: -186.859
where: short stacking energy: -106.496
Base-Backbone interact. energy: -1.836
local terms energy: -131.019906
where:
bonds (distance) C4'-P energy: -28.955
bonds (distance) P-C4' energy: -37.120
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -295.639961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.639961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.639961 (E_RNA)
where:
Base-Base interactions energy: -176.093
where: short stacking energy: -95.689
Base-Backbone interact. energy: 1.356
local terms energy: -120.902306
where:
bonds (distance) C4'-P energy: -28.645
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -24.565
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -268.374655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.374655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.374655 (E_RNA)
where:
Base-Base interactions energy: -159.602
where: short stacking energy: -79.363
Base-Backbone interact. energy: -1.066
local terms energy: -107.707120
where:
bonds (distance) C4'-P energy: -25.042
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -15.741
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -159.991733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.991733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.991733 (E_RNA)
where:
Base-Base interactions energy: -55.005
where: short stacking energy: -53.853
Base-Backbone interact. energy: -0.050
local terms energy: -104.936363
where:
bonds (distance) C4'-P energy: -26.422
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -33.147
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: 0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -156.483980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.483980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.483980 (E_RNA)
where:
Base-Base interactions energy: -59.281
where: short stacking energy: -41.684
Base-Backbone interact. energy: -1.564
local terms energy: -95.639508
where:
bonds (distance) C4'-P energy: -35.569
bonds (distance) P-C4' energy: -31.265
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -7.999
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: 1, replica: 10
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -579.378953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.378953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.378953 (E_RNA)
where:
Base-Base interactions energy: -399.117
where: short stacking energy: -163.569
Base-Backbone interact. energy: -0.492
local terms energy: -179.976716
where:
bonds (distance) C4'-P energy: -32.536
bonds (distance) P-C4' energy: -31.380
flat angles C4'-P-C4' energy: -35.045
flat angles P-C4'-P energy: -29.919
tors. eta vs tors. theta energy: -51.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.207 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -564.222948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.222948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.222948 (E_RNA)
where:
Base-Base interactions energy: -375.197
where: short stacking energy: -155.344
Base-Backbone interact. energy: -0.981
local terms energy: -188.045719
where:
bonds (distance) C4'-P energy: -35.397
bonds (distance) P-C4' energy: -34.174
flat angles C4'-P-C4' energy: -34.466
flat angles P-C4'-P energy: -29.126
tors. eta vs tors. theta energy: -54.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -537.549411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.549411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.549411 (E_RNA)
where:
Base-Base interactions energy: -378.175
where: short stacking energy: -144.814
Base-Backbone interact. energy: 1.821
local terms energy: -162.552975
where:
bonds (distance) C4'-P energy: -26.214
bonds (distance) P-C4' energy: -33.622
flat angles C4'-P-C4' energy: -34.824
flat angles P-C4'-P energy: -25.389
tors. eta vs tors. theta energy: -42.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.358 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -465.174816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.174816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.174816 (E_RNA)
where:
Base-Base interactions energy: -301.842
where: short stacking energy: -148.976
Base-Backbone interact. energy: -0.391
local terms energy: -162.940855
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -32.301
flat angles C4'-P-C4' energy: -40.884
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: -46.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -457.740555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.740555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.740555 (E_RNA)
where:
Base-Base interactions energy: -315.477
where: short stacking energy: -125.172
Base-Backbone interact. energy: 0.214
local terms energy: -142.477679
where:
bonds (distance) C4'-P energy: -33.311
bonds (distance) P-C4' energy: -26.258
flat angles C4'-P-C4' energy: -33.344
flat angles P-C4'-P energy: -17.562
tors. eta vs tors. theta energy: -32.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -311.978964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.978964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.978964 (E_RNA)
where:
Base-Base interactions energy: -175.674
where: short stacking energy: -92.386
Base-Backbone interact. energy: -0.400
local terms energy: -135.904635
where:
bonds (distance) C4'-P energy: -26.331
bonds (distance) P-C4' energy: -34.482
flat angles C4'-P-C4' energy: -34.241
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -279.089948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.089948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.089948 (E_RNA)
where:
Base-Base interactions energy: -162.808
where: short stacking energy: -83.637
Base-Backbone interact. energy: -0.480
local terms energy: -118.011582
where:
bonds (distance) C4'-P energy: -23.302
bonds (distance) P-C4' energy: -33.671
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -19.644
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.210 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -288.517411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.517411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.517411 (E_RNA)
where:
Base-Base interactions energy: -169.521
where: short stacking energy: -94.243
Base-Backbone interact. energy: -0.706
local terms energy: -118.291002
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -147.486206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.486206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.486206 (E_RNA)
where:
Base-Base interactions energy: -41.899
where: short stacking energy: -38.525
Base-Backbone interact. energy: 1.267
local terms energy: -106.854560
where:
bonds (distance) C4'-P energy: -33.444
bonds (distance) P-C4' energy: -30.463
flat angles C4'-P-C4' energy: -23.507
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -140.966539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.966539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.966539 (E_RNA)
where:
Base-Base interactions energy: -53.937
where: short stacking energy: -41.003
Base-Backbone interact. energy: -0.334
local terms energy: -87.981912
where:
bonds (distance) C4'-P energy: -23.116
bonds (distance) P-C4' energy: -33.730
flat angles C4'-P-C4' energy: -23.569
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: 5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.286 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -578.839063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.839063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.839063 (E_RNA)
where:
Base-Base interactions energy: -399.497
where: short stacking energy: -164.850
Base-Backbone interact. energy: -0.212
local terms energy: -180.441216
where:
bonds (distance) C4'-P energy: -31.207
bonds (distance) P-C4' energy: -36.633
flat angles C4'-P-C4' energy: -38.240
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -45.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.311 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -561.883121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.883121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.883121 (E_RNA)
where:
Base-Base interactions energy: -371.839
where: short stacking energy: -162.783
Base-Backbone interact. energy: -0.193
local terms energy: -189.850761
where:
bonds (distance) C4'-P energy: -33.762
bonds (distance) P-C4' energy: -35.362
flat angles C4'-P-C4' energy: -39.783
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: -51.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -501.820580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.820580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.820580 (E_RNA)
where:
Base-Base interactions energy: -351.356
where: short stacking energy: -135.013
Base-Backbone interact. energy: -0.399
local terms energy: -150.840106
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -31.513
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -41.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.775 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -462.323135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.323135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.323135 (E_RNA)
where:
Base-Base interactions energy: -304.721
where: short stacking energy: -140.637
Base-Backbone interact. energy: -1.128
local terms energy: -156.473488
where:
bonds (distance) C4'-P energy: -27.555
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -23.897
tors. eta vs tors. theta energy: -41.580
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: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -463.714930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.714930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.714930 (E_RNA)
where:
Base-Base interactions energy: -307.234
where: short stacking energy: -140.088
Base-Backbone interact. energy: -0.416
local terms energy: -156.064488
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -30.488
flat angles C4'-P-C4' energy: -34.905
flat angles P-C4'-P energy: -24.255
tors. eta vs tors. theta energy: -34.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -318.889927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.889927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.889927 (E_RNA)
where:
Base-Base interactions energy: -195.927
where: short stacking energy: -77.666
Base-Backbone interact. energy: 0.849
local terms energy: -123.811282
where:
bonds (distance) C4'-P energy: -26.811
bonds (distance) P-C4' energy: -35.544
flat angles C4'-P-C4' energy: -26.988
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -14.959
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: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -297.794821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.794821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.794821 (E_RNA)
where:
Base-Base interactions energy: -183.004
where: short stacking energy: -76.290
Base-Backbone interact. energy: -2.022
local terms energy: -112.768960
where:
bonds (distance) C4'-P energy: -22.252
bonds (distance) P-C4' energy: -30.769
flat angles C4'-P-C4' energy: -23.357
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -10.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -259.435966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.435966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.435966 (E_RNA)
where:
Base-Base interactions energy: -157.780
where: short stacking energy: -76.007
Base-Backbone interact. energy: -0.087
local terms energy: -101.730952
where:
bonds (distance) C4'-P energy: -24.713
bonds (distance) P-C4' energy: -30.875
flat angles C4'-P-C4' energy: -28.467
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.163 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -140.945997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.945997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.945997 (E_RNA)
where:
Base-Base interactions energy: -40.441
where: short stacking energy: -38.916
Base-Backbone interact. energy: -0.403
local terms energy: -100.101860
where:
bonds (distance) C4'-P energy: -31.265
bonds (distance) P-C4' energy: -25.918
flat angles C4'-P-C4' energy: -28.927
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: 5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -158.442506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.442506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.442506 (E_RNA)
where:
Base-Base interactions energy: -71.887
where: short stacking energy: -52.377
Base-Backbone interact. energy: 3.499
local terms energy: -90.054315
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -26.662
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: 3.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -572.662571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.662571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.662571 (E_RNA)
where:
Base-Base interactions energy: -393.814
where: short stacking energy: -164.920
Base-Backbone interact. energy: -0.829
local terms energy: -178.020257
where:
bonds (distance) C4'-P energy: -29.807
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -39.325
flat angles P-C4'-P energy: -27.250
tors. eta vs tors. theta energy: -46.540
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: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -542.899469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.899469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.899469 (E_RNA)
where:
Base-Base interactions energy: -357.109
where: short stacking energy: -161.381
Base-Backbone interact. energy: -0.531
local terms energy: -185.259391
where:
bonds (distance) C4'-P energy: -33.732
bonds (distance) P-C4' energy: -33.007
flat angles C4'-P-C4' energy: -41.159
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -51.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -514.428129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.428129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.428129 (E_RNA)
where:
Base-Base interactions energy: -348.641
where: short stacking energy: -144.141
Base-Backbone interact. energy: -0.407
local terms energy: -165.380249
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -25.543
tors. eta vs tors. theta energy: -47.825
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: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -475.415947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.415947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.415947 (E_RNA)
where:
Base-Base interactions energy: -316.855
where: short stacking energy: -146.591
Base-Backbone interact. energy: -0.289
local terms energy: -158.272328
where:
bonds (distance) C4'-P energy: -29.029
bonds (distance) P-C4' energy: -30.821
flat angles C4'-P-C4' energy: -32.813
flat angles P-C4'-P energy: -26.646
tors. eta vs tors. theta energy: -38.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -463.317637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.317637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.317637 (E_RNA)
where:
Base-Base interactions energy: -300.265
where: short stacking energy: -129.690
Base-Backbone interact. energy: -0.468
local terms energy: -162.585127
where:
bonds (distance) C4'-P energy: -26.092
bonds (distance) P-C4' energy: -34.462
flat angles C4'-P-C4' energy: -30.945
flat angles P-C4'-P energy: -27.474
tors. eta vs tors. theta energy: -43.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -307.436588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.436588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.436588 (E_RNA)
where:
Base-Base interactions energy: -184.780
where: short stacking energy: -88.534
Base-Backbone interact. energy: -1.028
local terms energy: -121.628033
where:
bonds (distance) C4'-P energy: -25.793
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -17.232
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: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -339.643956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.643956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.643956 (E_RNA)
where:
Base-Base interactions energy: -198.049
where: short stacking energy: -99.319
Base-Backbone interact. energy: -0.513
local terms energy: -141.081808
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -39.454
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -19.118
tors. eta vs tors. theta energy: -27.261
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: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -184.610147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.610147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.610147 (E_RNA)
where:
Base-Base interactions energy: -82.275
where: short stacking energy: -57.314
Base-Backbone interact. energy: 0.419
local terms energy: -104.313041
where:
bonds (distance) C4'-P energy: -31.144
bonds (distance) P-C4' energy: -26.115
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.559 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -251.606834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.606834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.606834 (E_RNA)
where:
Base-Base interactions energy: -140.066
where: short stacking energy: -75.599
Base-Backbone interact. energy: -0.320
local terms energy: -111.220643
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -26.268
flat angles C4'-P-C4' energy: -26.855
flat angles P-C4'-P energy: -14.605
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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -157.723411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.723411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.723411 (E_RNA)
where:
Base-Base interactions energy: -47.673
where: short stacking energy: -47.312
Base-Backbone interact. energy: -0.606
local terms energy: -109.444774
where:
bonds (distance) C4'-P energy: -35.117
bonds (distance) P-C4' energy: -30.116
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -18.531
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -567.561282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.561282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.561282 (E_RNA)
where:
Base-Base interactions energy: -382.442
where: short stacking energy: -162.853
Base-Backbone interact. energy: -0.175
local terms energy: -184.944400
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -36.786
flat angles P-C4'-P energy: -30.882
tors. eta vs tors. theta energy: -54.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -573.235681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.235681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.235681 (E_RNA)
where:
Base-Base interactions energy: -400.794
where: short stacking energy: -163.763
Base-Backbone interact. energy: -0.486
local terms energy: -171.955446
where:
bonds (distance) C4'-P energy: -35.613
bonds (distance) P-C4' energy: -31.750
flat angles C4'-P-C4' energy: -37.588
flat angles P-C4'-P energy: -17.883
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: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -505.399014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.399014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.399014 (E_RNA)
where:
Base-Base interactions energy: -342.660
where: short stacking energy: -151.400
Base-Backbone interact. energy: -0.966
local terms energy: -162.503404
where:
bonds (distance) C4'-P energy: -33.687
bonds (distance) P-C4' energy: -34.282
flat angles C4'-P-C4' energy: -27.132
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -46.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.731 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -466.662096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.662096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.662096 (E_RNA)
where:
Base-Base interactions energy: -310.410
where: short stacking energy: -135.545
Base-Backbone interact. energy: -0.603
local terms energy: -155.649793
where:
bonds (distance) C4'-P energy: -26.259
bonds (distance) P-C4' energy: -33.232
flat angles C4'-P-C4' energy: -35.202
flat angles P-C4'-P energy: -28.405
tors. eta vs tors. theta energy: -32.552
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: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -466.176905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.176905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.176905 (E_RNA)
where:
Base-Base interactions energy: -316.951
where: short stacking energy: -131.245
Base-Backbone interact. energy: -0.126
local terms energy: -149.099945
where:
bonds (distance) C4'-P energy: -25.064
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -33.025
flat angles P-C4'-P energy: -18.062
tors. eta vs tors. theta energy: -39.558
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: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -310.603172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.603172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.603172 (E_RNA)
where:
Base-Base interactions energy: -171.654
where: short stacking energy: -76.332
Base-Backbone interact. energy: -0.195
local terms energy: -138.753495
where:
bonds (distance) C4'-P energy: -36.721
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -330.842250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.842250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.842250 (E_RNA)
where:
Base-Base interactions energy: -199.041
where: short stacking energy: -107.195
Base-Backbone interact. energy: -1.217
local terms energy: -130.584076
where:
bonds (distance) C4'-P energy: -30.316
bonds (distance) P-C4' energy: -30.476
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -27.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -174.265521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.265521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.265521 (E_RNA)
where:
Base-Base interactions energy: -68.651
where: short stacking energy: -52.551
Base-Backbone interact. energy: -0.660
local terms energy: -104.954857
where:
bonds (distance) C4'-P energy: -32.400
bonds (distance) P-C4' energy: -27.331
flat angles C4'-P-C4' energy: -22.497
flat angles P-C4'-P energy: -19.213
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -226.239975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.239975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.239975 (E_RNA)
where:
Base-Base interactions energy: -105.734
where: short stacking energy: -59.134
Base-Backbone interact. energy: -0.661
local terms energy: -121.087093
where:
bonds (distance) C4'-P energy: -26.707
bonds (distance) P-C4' energy: -33.715
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -16.544
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.242 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -147.629947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.629947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.629947 (E_RNA)
where:
Base-Base interactions energy: -50.893
where: short stacking energy: -35.928
Base-Backbone interact. energy: -1.244
local terms energy: -95.492320
where:
bonds (distance) C4'-P energy: -26.042
bonds (distance) P-C4' energy: -31.338
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -19.565
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -555.323334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.323334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.323334 (E_RNA)
where:
Base-Base interactions energy: -369.641
where: short stacking energy: -167.455
Base-Backbone interact. energy: -0.064
local terms energy: -185.618192
where:
bonds (distance) C4'-P energy: -33.380
bonds (distance) P-C4' energy: -33.489
flat angles C4'-P-C4' energy: -36.465
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -53.599
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: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -570.243954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.243954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.243954 (E_RNA)
where:
Base-Base interactions energy: -395.244
where: short stacking energy: -164.117
Base-Backbone interact. energy: -0.432
local terms energy: -174.567201
where:
bonds (distance) C4'-P energy: -29.705
bonds (distance) P-C4' energy: -32.256
flat angles C4'-P-C4' energy: -35.302
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: -49.469
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: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -504.375162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.375162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.375162 (E_RNA)
where:
Base-Base interactions energy: -344.925
where: short stacking energy: -130.889
Base-Backbone interact. energy: -1.430
local terms energy: -158.547771
where:
bonds (distance) C4'-P energy: -33.259
bonds (distance) P-C4' energy: -38.372
flat angles C4'-P-C4' energy: -40.030
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -32.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.527 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -508.015214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.015214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.015214 (E_RNA)
where:
Base-Base interactions energy: -338.684
where: short stacking energy: -154.866
Base-Backbone interact. energy: -0.602
local terms energy: -168.729703
where:
bonds (distance) C4'-P energy: -32.600
bonds (distance) P-C4' energy: -32.589
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -46.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -429.646981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.646981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.646981 (E_RNA)
where:
Base-Base interactions energy: -298.465
where: short stacking energy: -131.501
Base-Backbone interact. energy: -0.249
local terms energy: -130.932798
where:
bonds (distance) C4'-P energy: -22.721
bonds (distance) P-C4' energy: -29.541
flat angles C4'-P-C4' energy: -34.270
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -25.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -289.001178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.001178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.001178 (E_RNA)
where:
Base-Base interactions energy: -157.342
where: short stacking energy: -81.947
Base-Backbone interact. energy: -0.388
local terms energy: -131.271541
where:
bonds (distance) C4'-P energy: -26.580
bonds (distance) P-C4' energy: -37.841
flat angles C4'-P-C4' energy: -29.015
flat angles P-C4'-P energy: -22.901
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -324.982281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.982281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.982281 (E_RNA)
where:
Base-Base interactions energy: -195.122
where: short stacking energy: -101.180
Base-Backbone interact. energy: -0.163
local terms energy: -129.697518
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -35.447
flat angles C4'-P-C4' energy: -29.386
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -243.403620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.403620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.403620 (E_RNA)
where:
Base-Base interactions energy: -131.702
where: short stacking energy: -72.870
Base-Backbone interact. energy: -0.355
local terms energy: -111.588180
where:
bonds (distance) C4'-P energy: -25.855
bonds (distance) P-C4' energy: -30.087
flat angles C4'-P-C4' energy: -27.638
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.241 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -175.847963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.847963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.847963 (E_RNA)
where:
Base-Base interactions energy: -66.847
where: short stacking energy: -59.619
Base-Backbone interact. energy: -1.118
local terms energy: -107.883516
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -32.862
flat angles C4'-P-C4' energy: -26.069
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -7.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -167.452179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.452179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.452179 (E_RNA)
where:
Base-Base interactions energy: -62.289
where: short stacking energy: -44.168
Base-Backbone interact. energy: -0.427
local terms energy: -104.736143
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: 0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -579.043543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.043543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.043543 (E_RNA)
where:
Base-Base interactions energy: -394.271
where: short stacking energy: -173.967
Base-Backbone interact. energy: -0.419
local terms energy: -184.353041
where:
bonds (distance) C4'-P energy: -33.137
bonds (distance) P-C4' energy: -39.294
flat angles C4'-P-C4' energy: -34.038
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -55.176
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: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -556.675443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.675443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.675443 (E_RNA)
where:
Base-Base interactions energy: -391.579
where: short stacking energy: -162.791
Base-Backbone interact. energy: -1.298
local terms energy: -163.798331
where:
bonds (distance) C4'-P energy: -24.534
bonds (distance) P-C4' energy: -31.318
flat angles C4'-P-C4' energy: -36.199
flat angles P-C4'-P energy: -22.969
tors. eta vs tors. theta energy: -48.779
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: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -513.906872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.906872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.906872 (E_RNA)
where:
Base-Base interactions energy: -341.424
where: short stacking energy: -152.912
Base-Backbone interact. energy: -0.255
local terms energy: -172.228065
where:
bonds (distance) C4'-P energy: -28.155
bonds (distance) P-C4' energy: -35.492
flat angles C4'-P-C4' energy: -36.769
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: -47.085
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: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -477.700650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.700650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.700650 (E_RNA)
where:
Base-Base interactions energy: -305.119
where: short stacking energy: -145.744
Base-Backbone interact. energy: -0.027
local terms energy: -172.643432
where:
bonds (distance) C4'-P energy: -32.579
bonds (distance) P-C4' energy: -33.624
flat angles C4'-P-C4' energy: -34.890
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: -46.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.088 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -445.002937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.002937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.002937 (E_RNA)
where:
Base-Base interactions energy: -296.664
where: short stacking energy: -127.078
Base-Backbone interact. energy: -0.758
local terms energy: -147.581668
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -35.188
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -32.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -321.434510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.434510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.434510 (E_RNA)
where:
Base-Base interactions energy: -200.632
where: short stacking energy: -95.381
Base-Backbone interact. energy: -0.768
local terms energy: -120.034373
where:
bonds (distance) C4'-P energy: -25.944
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -28.124
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -347.036046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.036046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.036046 (E_RNA)
where:
Base-Base interactions energy: -223.947
where: short stacking energy: -104.814
Base-Backbone interact. energy: 0.693
local terms energy: -124.378409
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -22.758
flat angles C4'-P-C4' energy: -35.117
flat angles P-C4'-P energy: -22.534
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.597 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -262.286684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.286684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.286684 (E_RNA)
where:
Base-Base interactions energy: -151.445
where: short stacking energy: -75.455
Base-Backbone interact. energy: -0.910
local terms energy: -109.931659
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -13.392
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: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -175.763891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.763891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.763891 (E_RNA)
where:
Base-Base interactions energy: -60.300
where: short stacking energy: -53.638
Base-Backbone interact. energy: -0.013
local terms energy: -117.512145
where:
bonds (distance) C4'-P energy: -30.370
bonds (distance) P-C4' energy: -34.169
flat angles C4'-P-C4' energy: -30.637
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.061 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -155.733675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.733675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.733675 (E_RNA)
where:
Base-Base interactions energy: -60.503
where: short stacking energy: -42.305
Base-Backbone interact. energy: 0.977
local terms energy: -96.207466
where:
bonds (distance) C4'-P energy: -28.236
bonds (distance) P-C4' energy: -31.454
flat angles C4'-P-C4' energy: -24.611
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: 5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -570.102438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.102438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.102438 (E_RNA)
where:
Base-Base interactions energy: -382.296
where: short stacking energy: -168.638
Base-Backbone interact. energy: -0.244
local terms energy: -188.040260
where:
bonds (distance) C4'-P energy: -29.839
bonds (distance) P-C4' energy: -34.070
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -55.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.478 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -564.920140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.920140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.920140 (E_RNA)
where:
Base-Base interactions energy: -385.001
where: short stacking energy: -163.797
Base-Backbone interact. energy: -0.567
local terms energy: -179.351787
where:
bonds (distance) C4'-P energy: -33.915
bonds (distance) P-C4' energy: -32.472
flat angles C4'-P-C4' energy: -37.666
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -48.282
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: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -537.381285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.381285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.381285 (E_RNA)
where:
Base-Base interactions energy: -351.179
where: short stacking energy: -154.979
Base-Backbone interact. energy: 0.679
local terms energy: -186.881536
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -39.338
flat angles C4'-P-C4' energy: -36.924
flat angles P-C4'-P energy: -26.538
tors. eta vs tors. theta energy: -52.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -475.978256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.978256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.978256 (E_RNA)
where:
Base-Base interactions energy: -321.586
where: short stacking energy: -137.259
Base-Backbone interact. energy: -0.110
local terms energy: -154.282053
where:
bonds (distance) C4'-P energy: -32.964
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -32.559
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: -37.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -465.186655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.186655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.186655 (E_RNA)
where:
Base-Base interactions energy: -304.908
where: short stacking energy: -144.414
Base-Backbone interact. energy: -0.701
local terms energy: -160.559501
where:
bonds (distance) C4'-P energy: -28.877
bonds (distance) P-C4' energy: -33.602
flat angles C4'-P-C4' energy: -36.548
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -38.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.982 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -327.339206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.339206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.339206 (E_RNA)
where:
Base-Base interactions energy: -191.639
where: short stacking energy: -111.110
Base-Backbone interact. energy: 0.171
local terms energy: -137.789773
where:
bonds (distance) C4'-P energy: -27.249
bonds (distance) P-C4' energy: -33.437
flat angles C4'-P-C4' energy: -25.396
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -28.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.918 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -303.704858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.704858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.704858 (E_RNA)
where:
Base-Base interactions energy: -191.915
where: short stacking energy: -87.004
Base-Backbone interact. energy: -0.566
local terms energy: -111.224309
where:
bonds (distance) C4'-P energy: -30.718
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -27.351
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -251.986552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.986552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.986552 (E_RNA)
where:
Base-Base interactions energy: -154.783
where: short stacking energy: -75.508
Base-Backbone interact. energy: -0.469
local terms energy: -96.734751
where:
bonds (distance) C4'-P energy: -20.667
bonds (distance) P-C4' energy: -27.524
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -161.130481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.130481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.130481 (E_RNA)
where:
Base-Base interactions energy: -71.957
where: short stacking energy: -58.016
Base-Backbone interact. energy: -0.812
local terms energy: -88.361416
where:
bonds (distance) C4'-P energy: -26.079
bonds (distance) P-C4' energy: -30.823
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -149.507945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.507945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.507945 (E_RNA)
where:
Base-Base interactions energy: -54.460
where: short stacking energy: -46.418
Base-Backbone interact. energy: 1.764
local terms energy: -96.811971
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -36.118
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: 6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -567.003546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.003546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.003546 (E_RNA)
where:
Base-Base interactions energy: -393.820
where: short stacking energy: -166.012
Base-Backbone interact. energy: -1.162
local terms energy: -172.021136
where:
bonds (distance) C4'-P energy: -32.574
bonds (distance) P-C4' energy: -33.464
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -24.432
tors. eta vs tors. theta energy: -48.729
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: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -550.030397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.030397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.030397 (E_RNA)
where:
Base-Base interactions energy: -372.979
where: short stacking energy: -168.663
Base-Backbone interact. energy: -0.049
local terms energy: -177.114874
where:
bonds (distance) C4'-P energy: -33.353
bonds (distance) P-C4' energy: -35.458
flat angles C4'-P-C4' energy: -33.399
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -54.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.112 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -514.162933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.162933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.162933 (E_RNA)
where:
Base-Base interactions energy: -334.919
where: short stacking energy: -157.866
Base-Backbone interact. energy: -0.104
local terms energy: -179.139370
where:
bonds (distance) C4'-P energy: -39.123
bonds (distance) P-C4' energy: -36.880
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -18.028
tors. eta vs tors. theta energy: -48.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -476.438066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.438066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.438066 (E_RNA)
where:
Base-Base interactions energy: -323.662
where: short stacking energy: -130.298
Base-Backbone interact. energy: -0.980
local terms energy: -153.568174
where:
bonds (distance) C4'-P energy: -33.754
bonds (distance) P-C4' energy: -35.244
flat angles C4'-P-C4' energy: -37.131
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -29.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.772 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -434.826571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.826571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.826571 (E_RNA)
where:
Base-Base interactions energy: -274.688
where: short stacking energy: -125.245
Base-Backbone interact. energy: -2.321
local terms energy: -158.878725
where:
bonds (distance) C4'-P energy: -34.412
bonds (distance) P-C4' energy: -33.353
flat angles C4'-P-C4' energy: -32.883
flat angles P-C4'-P energy: -22.745
tors. eta vs tors. theta energy: -35.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.061 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -317.821586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.821586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.821586 (E_RNA)
where:
Base-Base interactions energy: -194.497
where: short stacking energy: -95.783
Base-Backbone interact. energy: -0.441
local terms energy: -122.883016
where:
bonds (distance) C4'-P energy: -24.807
bonds (distance) P-C4' energy: -33.389
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -298.466721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.466721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.466721 (E_RNA)
where:
Base-Base interactions energy: -171.187
where: short stacking energy: -102.113
Base-Backbone interact. energy: -0.288
local terms energy: -126.992347
where:
bonds (distance) C4'-P energy: -34.908
bonds (distance) P-C4' energy: -36.055
flat angles C4'-P-C4' energy: -27.439
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -246.202128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.202128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.202128 (E_RNA)
where:
Base-Base interactions energy: -133.214
where: short stacking energy: -82.776
Base-Backbone interact. energy: -0.311
local terms energy: -112.676879
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -159.793973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.793973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.793973 (E_RNA)
where:
Base-Base interactions energy: -74.562
where: short stacking energy: -50.824
Base-Backbone interact. energy: -0.937
local terms energy: -84.295791
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -27.235
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: 5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -145.781271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.781271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.781271 (E_RNA)
where:
Base-Base interactions energy: -54.290
where: short stacking energy: -51.284
Base-Backbone interact. energy: -0.318
local terms energy: -91.173428
where:
bonds (distance) C4'-P energy: -33.851
bonds (distance) P-C4' energy: -33.048
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: 3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -574.688952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.688952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.688952 (E_RNA)
where:
Base-Base interactions energy: -383.976
where: short stacking energy: -169.834
Base-Backbone interact. energy: -0.681
local terms energy: -190.031548
where:
bonds (distance) C4'-P energy: -36.626
bonds (distance) P-C4' energy: -36.271
flat angles C4'-P-C4' energy: -37.132
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -53.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -553.197431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.197431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.197431 (E_RNA)
where:
Base-Base interactions energy: -375.833
where: short stacking energy: -153.373
Base-Backbone interact. energy: -0.052
local terms energy: -177.522376
where:
bonds (distance) C4'-P energy: -37.070
bonds (distance) P-C4' energy: -28.173
flat angles C4'-P-C4' energy: -37.427
flat angles P-C4'-P energy: -27.208
tors. eta vs tors. theta energy: -47.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.210 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -541.626351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.626351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.626351 (E_RNA)
where:
Base-Base interactions energy: -355.427
where: short stacking energy: -159.768
Base-Backbone interact. energy: -0.118
local terms energy: -186.081367
where:
bonds (distance) C4'-P energy: -33.766
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -35.575
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: -54.354
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: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -486.179256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.179256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.179256 (E_RNA)
where:
Base-Base interactions energy: -330.012
where: short stacking energy: -129.781
Base-Backbone interact. energy: -0.388
local terms energy: -155.938017
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -36.476
flat angles C4'-P-C4' energy: -32.525
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -35.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.159 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -470.275557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.275557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.275557 (E_RNA)
where:
Base-Base interactions energy: -309.491
where: short stacking energy: -130.314
Base-Backbone interact. energy: -0.653
local terms energy: -160.131605
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -37.953
flat angles C4'-P-C4' energy: -33.272
flat angles P-C4'-P energy: -26.253
tors. eta vs tors. theta energy: -35.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -356.321941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.321941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.321941 (E_RNA)
where:
Base-Base interactions energy: -208.097
where: short stacking energy: -115.783
Base-Backbone interact. energy: 0.215
local terms energy: -148.440807
where:
bonds (distance) C4'-P energy: -28.180
bonds (distance) P-C4' energy: -37.126
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -30.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -280.169051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.169051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.169051 (E_RNA)
where:
Base-Base interactions energy: -154.867
where: short stacking energy: -85.007
Base-Backbone interact. energy: -0.117
local terms energy: -125.185443
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -35.846
flat angles C4'-P-C4' energy: -25.139
flat angles P-C4'-P energy: -21.845
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -247.431077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.431077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.431077 (E_RNA)
where:
Base-Base interactions energy: -117.951
where: short stacking energy: -70.278
Base-Backbone interact. energy: 1.188
local terms energy: -130.668455
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -33.968
flat angles C4'-P-C4' energy: -34.184
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -170.062586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.062586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.062586 (E_RNA)
where:
Base-Base interactions energy: -67.875
where: short stacking energy: -46.318
Base-Backbone interact. energy: 0.831
local terms energy: -103.018790
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -33.566
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -22.411
tors. eta vs tors. theta energy: 8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -157.595292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.595292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.595292 (E_RNA)
where:
Base-Base interactions energy: -68.943
where: short stacking energy: -33.938
Base-Backbone interact. energy: -1.509
local terms energy: -87.143968
where:
bonds (distance) C4'-P energy: -33.021
bonds (distance) P-C4' energy: -30.786
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: 7.387
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: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -573.884215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.884215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.884215 (E_RNA)
where:
Base-Base interactions energy: -384.320
where: short stacking energy: -163.731
Base-Backbone interact. energy: -0.035
local terms energy: -189.529492
where:
bonds (distance) C4'-P energy: -34.748
bonds (distance) P-C4' energy: -32.624
flat angles C4'-P-C4' energy: -41.639
flat angles P-C4'-P energy: -30.193
tors. eta vs tors. theta energy: -50.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -570.648064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.648064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.648064 (E_RNA)
where:
Base-Base interactions energy: -389.577
where: short stacking energy: -170.333
Base-Backbone interact. energy: 0.558
local terms energy: -181.628555
where:
bonds (distance) C4'-P energy: -33.493
bonds (distance) P-C4' energy: -34.723
flat angles C4'-P-C4' energy: -35.533
flat angles P-C4'-P energy: -30.255
tors. eta vs tors. theta energy: -47.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -526.727246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.727246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.727246 (E_RNA)
where:
Base-Base interactions energy: -343.938
where: short stacking energy: -151.812
Base-Backbone interact. energy: -0.122
local terms energy: -182.666845
where:
bonds (distance) C4'-P energy: -32.148
bonds (distance) P-C4' energy: -38.497
flat angles C4'-P-C4' energy: -33.969
flat angles P-C4'-P energy: -28.753
tors. eta vs tors. theta energy: -49.300
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: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -478.212073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.212073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.212073 (E_RNA)
where:
Base-Base interactions energy: -324.160
where: short stacking energy: -127.158
Base-Backbone interact. energy: -0.483
local terms energy: -153.569908
where:
bonds (distance) C4'-P energy: -29.452
bonds (distance) P-C4' energy: -38.349
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -32.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -496.627175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.627175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.627175 (E_RNA)
where:
Base-Base interactions energy: -336.068
where: short stacking energy: -146.278
Base-Backbone interact. energy: -0.228
local terms energy: -160.331346
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -40.705
flat angles C4'-P-C4' energy: -26.299
flat angles P-C4'-P energy: -25.317
tors. eta vs tors. theta energy: -42.364
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: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -366.583047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.583047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.583047 (E_RNA)
where:
Base-Base interactions energy: -232.958
where: short stacking energy: -109.716
Base-Backbone interact. energy: 1.083
local terms energy: -135.909805
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -33.651
flat angles C4'-P-C4' energy: -27.145
flat angles P-C4'-P energy: -25.719
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: 1.201 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -320.341216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.341216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.341216 (E_RNA)
where:
Base-Base interactions energy: -198.127
where: short stacking energy: -84.129
Base-Backbone interact. energy: -0.324
local terms energy: -121.889975
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -257.465483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.465483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.465483 (E_RNA)
where:
Base-Base interactions energy: -136.952
where: short stacking energy: -69.290
Base-Backbone interact. energy: -0.271
local terms energy: -120.242711
where:
bonds (distance) C4'-P energy: -28.888
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -178.672973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.672973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.672973 (E_RNA)
where:
Base-Base interactions energy: -61.701
where: short stacking energy: -50.036
Base-Backbone interact. energy: -0.573
local terms energy: -116.398563
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -29.936
flat angles C4'-P-C4' energy: -28.236
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -9.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -147.824400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.824400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.824400 (E_RNA)
where:
Base-Base interactions energy: -48.417
where: short stacking energy: -48.754
Base-Backbone interact. energy: -0.346
local terms energy: -99.061360
where:
bonds (distance) C4'-P energy: -29.577
bonds (distance) P-C4' energy: -33.016
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: 0.108
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: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -581.113142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.113142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.113142 (E_RNA)
where:
Base-Base interactions energy: -401.504
where: short stacking energy: -166.304
Base-Backbone interact. energy: -0.304
local terms energy: -179.305173
where:
bonds (distance) C4'-P energy: -32.370
bonds (distance) P-C4' energy: -32.480
flat angles C4'-P-C4' energy: -37.415
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -53.105
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: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -573.854844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.854844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.854844 (E_RNA)
where:
Base-Base interactions energy: -389.790
where: short stacking energy: -168.424
Base-Backbone interact. energy: -0.208
local terms energy: -184.476403
where:
bonds (distance) C4'-P energy: -31.423
bonds (distance) P-C4' energy: -36.886
flat angles C4'-P-C4' energy: -35.186
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -57.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.619 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -510.316265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.316265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.316265 (E_RNA)
where:
Base-Base interactions energy: -339.994
where: short stacking energy: -149.665
Base-Backbone interact. energy: -0.117
local terms energy: -170.204528
where:
bonds (distance) C4'-P energy: -34.718
bonds (distance) P-C4' energy: -31.895
flat angles C4'-P-C4' energy: -40.215
flat angles P-C4'-P energy: -24.591
tors. eta vs tors. theta energy: -38.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -501.947214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.947214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.947214 (E_RNA)
where:
Base-Base interactions energy: -338.709
where: short stacking energy: -140.230
Base-Backbone interact. energy: -0.598
local terms energy: -162.640519
where:
bonds (distance) C4'-P energy: -29.836
bonds (distance) P-C4' energy: -31.175
flat angles C4'-P-C4' energy: -32.061
flat angles P-C4'-P energy: -17.457
tors. eta vs tors. theta energy: -52.112
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: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -428.345710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.345710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.345710 (E_RNA)
where:
Base-Base interactions energy: -282.350
where: short stacking energy: -112.614
Base-Backbone interact. energy: -1.080
local terms energy: -144.916457
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -34.790
flat angles C4'-P-C4' energy: -26.968
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -28.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -410.468489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.468489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.468489 (E_RNA)
where:
Base-Base interactions energy: -253.921
where: short stacking energy: -116.413
Base-Backbone interact. energy: -0.207
local terms energy: -156.340378
where:
bonds (distance) C4'-P energy: -29.891
bonds (distance) P-C4' energy: -36.941
flat angles C4'-P-C4' energy: -40.993
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -29.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -339.452781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.452781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.452781 (E_RNA)
where:
Base-Base interactions energy: -209.750
where: short stacking energy: -97.839
Base-Backbone interact. energy: -0.584
local terms energy: -129.118222
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -32.196
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -20.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -238.861480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.861480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.861480 (E_RNA)
where:
Base-Base interactions energy: -132.720
where: short stacking energy: -64.448
Base-Backbone interact. energy: -1.036
local terms energy: -105.106211
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -175.411109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.411109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.411109 (E_RNA)
where:
Base-Base interactions energy: -82.436
where: short stacking energy: -67.487
Base-Backbone interact. energy: 0.802
local terms energy: -93.776892
where:
bonds (distance) C4'-P energy: -27.933
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -15.502
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: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -153.367312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.367312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.367312 (E_RNA)
where:
Base-Base interactions energy: -38.466
where: short stacking energy: -37.826
Base-Backbone interact. energy: 1.996
local terms energy: -117.145191
where:
bonds (distance) C4'-P energy: -33.639
bonds (distance) P-C4' energy: -34.064
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.248 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -584.235954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.235954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.235954 (E_RNA)
where:
Base-Base interactions energy: -396.933
where: short stacking energy: -164.570
Base-Backbone interact. energy: -0.714
local terms energy: -186.588807
where:
bonds (distance) C4'-P energy: -34.875
bonds (distance) P-C4' energy: -37.320
flat angles C4'-P-C4' energy: -40.826
flat angles P-C4'-P energy: -28.500
tors. eta vs tors. theta energy: -45.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -552.922478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.922478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.922478 (E_RNA)
where:
Base-Base interactions energy: -376.108
where: short stacking energy: -152.573
Base-Backbone interact. energy: -0.442
local terms energy: -176.371807
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -30.987
flat angles C4'-P-C4' energy: -39.656
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -51.227
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: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -487.098264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.098264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.098264 (E_RNA)
where:
Base-Base interactions energy: -321.388
where: short stacking energy: -142.273
Base-Backbone interact. energy: -0.093
local terms energy: -165.617160
where:
bonds (distance) C4'-P energy: -32.971
bonds (distance) P-C4' energy: -30.929
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -38.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -487.405253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.405253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.405253 (E_RNA)
where:
Base-Base interactions energy: -328.093
where: short stacking energy: -138.750
Base-Backbone interact. energy: -0.804
local terms energy: -158.508919
where:
bonds (distance) C4'-P energy: -29.890
bonds (distance) P-C4' energy: -31.297
flat angles C4'-P-C4' energy: -33.611
flat angles P-C4'-P energy: -25.183
tors. eta vs tors. theta energy: -38.528
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: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -408.400999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.400999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.400999 (E_RNA)
where:
Base-Base interactions energy: -271.441
where: short stacking energy: -106.833
Base-Backbone interact. energy: -3.160
local terms energy: -133.799452
where:
bonds (distance) C4'-P energy: -26.932
bonds (distance) P-C4' energy: -26.576
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -24.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -433.400974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.400974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.400974 (E_RNA)
where:
Base-Base interactions energy: -266.461
where: short stacking energy: -128.081
Base-Backbone interact. energy: -0.818
local terms energy: -166.280990
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -37.047
flat angles C4'-P-C4' energy: -32.512
flat angles P-C4'-P energy: -29.483
tors. eta vs tors. theta energy: -40.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.159 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -354.867242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.867242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.867242 (E_RNA)
where:
Base-Base interactions energy: -230.513
where: short stacking energy: -118.626
Base-Backbone interact. energy: -0.377
local terms energy: -123.977623
where:
bonds (distance) C4'-P energy: -36.677
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -28.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -226.874012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.874012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.874012 (E_RNA)
where:
Base-Base interactions energy: -104.288
where: short stacking energy: -61.142
Base-Backbone interact. energy: 0.396
local terms energy: -122.982492
where:
bonds (distance) C4'-P energy: -31.373
bonds (distance) P-C4' energy: -33.932
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -11.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -182.526776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.526776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.526776 (E_RNA)
where:
Base-Base interactions energy: -73.167
where: short stacking energy: -53.774
Base-Backbone interact. energy: -0.400
local terms energy: -109.297497
where:
bonds (distance) C4'-P energy: -26.258
bonds (distance) P-C4' energy: -32.316
flat angles C4'-P-C4' energy: -26.712
flat angles P-C4'-P energy: -20.244
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.338 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -146.541942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.541942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.541942 (E_RNA)
where:
Base-Base interactions energy: -64.186
where: short stacking energy: -41.948
Base-Backbone interact. energy: -0.995
local terms energy: -81.360003
where:
bonds (distance) C4'-P energy: -26.963
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: 5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -593.709593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.709593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.709593 (E_RNA)
where:
Base-Base interactions energy: -411.689
where: short stacking energy: -168.091
Base-Backbone interact. energy: -0.843
local terms energy: -181.177995
where:
bonds (distance) C4'-P energy: -29.733
bonds (distance) P-C4' energy: -35.900
flat angles C4'-P-C4' energy: -34.278
flat angles P-C4'-P energy: -27.512
tors. eta vs tors. theta energy: -53.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -543.540918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.540918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.540918 (E_RNA)
where:
Base-Base interactions energy: -377.410
where: short stacking energy: -150.083
Base-Backbone interact. energy: -0.161
local terms energy: -165.970122
where:
bonds (distance) C4'-P energy: -30.028
bonds (distance) P-C4' energy: -34.025
flat angles C4'-P-C4' energy: -33.215
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -44.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -496.970995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.970995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.970995 (E_RNA)
where:
Base-Base interactions energy: -326.506
where: short stacking energy: -148.687
Base-Backbone interact. energy: 0.791
local terms energy: -171.256571
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -37.315
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -49.154
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: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -508.136957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.136957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.136957 (E_RNA)
where:
Base-Base interactions energy: -336.290
where: short stacking energy: -148.429
Base-Backbone interact. energy: -0.072
local terms energy: -171.775203
where:
bonds (distance) C4'-P energy: -37.906
bonds (distance) P-C4' energy: -31.714
flat angles C4'-P-C4' energy: -38.314
flat angles P-C4'-P energy: -22.216
tors. eta vs tors. theta energy: -41.626
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: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -371.333478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.333478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.333478 (E_RNA)
where:
Base-Base interactions energy: -225.129
where: short stacking energy: -91.494
Base-Backbone interact. energy: -0.277
local terms energy: -145.927767
where:
bonds (distance) C4'-P energy: -36.698
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -422.625982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.625982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.625982 (E_RNA)
where:
Base-Base interactions energy: -285.072
where: short stacking energy: -119.025
Base-Backbone interact. energy: -0.678
local terms energy: -136.875491
where:
bonds (distance) C4'-P energy: -26.339
bonds (distance) P-C4' energy: -35.475
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -29.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -335.371265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.371265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.371265 (E_RNA)
where:
Base-Base interactions energy: -207.052
where: short stacking energy: -86.404
Base-Backbone interact. energy: -0.056
local terms energy: -129.641392
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -25.370
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.379 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -237.097326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.097326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.097326 (E_RNA)
where:
Base-Base interactions energy: -113.019
where: short stacking energy: -59.685
Base-Backbone interact. energy: -0.350
local terms energy: -123.728119
where:
bonds (distance) C4'-P energy: -34.262
bonds (distance) P-C4' energy: -36.583
flat angles C4'-P-C4' energy: -22.227
flat angles P-C4'-P energy: -25.110
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: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -156.257291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.257291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.257291 (E_RNA)
where:
Base-Base interactions energy: -53.242
where: short stacking energy: -45.074
Base-Backbone interact. energy: -0.708
local terms energy: -105.063954
where:
bonds (distance) C4'-P energy: -27.901
bonds (distance) P-C4' energy: -32.026
flat angles C4'-P-C4' energy: -26.451
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.757 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -140.892651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.892651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.892651 (E_RNA)
where:
Base-Base interactions energy: -54.167
where: short stacking energy: -42.396
Base-Backbone interact. energy: -1.289
local terms energy: -85.437058
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -33.465
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: 2.731
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: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -568.977709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.977709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.977709 (E_RNA)
where:
Base-Base interactions energy: -379.193
where: short stacking energy: -165.215
Base-Backbone interact. energy: -0.240
local terms energy: -189.544607
where:
bonds (distance) C4'-P energy: -37.773
bonds (distance) P-C4' energy: -35.691
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -27.987
tors. eta vs tors. theta energy: -53.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -571.978218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.978218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.978218 (E_RNA)
where:
Base-Base interactions energy: -397.303
where: short stacking energy: -178.864
Base-Backbone interact. energy: -0.363
local terms energy: -174.312142
where:
bonds (distance) C4'-P energy: -30.696
bonds (distance) P-C4' energy: -28.980
flat angles C4'-P-C4' energy: -38.402
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -54.433
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: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -520.777987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.777987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.777987 (E_RNA)
where:
Base-Base interactions energy: -358.994
where: short stacking energy: -155.013
Base-Backbone interact. energy: -1.228
local terms energy: -160.555197
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -33.417
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -21.178
tors. eta vs tors. theta energy: -41.764
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: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -477.826747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.826747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.826747 (E_RNA)
where:
Base-Base interactions energy: -308.474
where: short stacking energy: -139.742
Base-Backbone interact. energy: 0.325
local terms energy: -170.180933
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -31.523
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -43.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.503 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -456.067666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.067666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.067666 (E_RNA)
where:
Base-Base interactions energy: -297.319
where: short stacking energy: -132.163
Base-Backbone interact. energy: -0.290
local terms energy: -158.458482
where:
bonds (distance) C4'-P energy: -30.185
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -32.749
flat angles P-C4'-P energy: -27.241
tors. eta vs tors. theta energy: -39.382
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: 158
Temperature: 1.150000
Total energy: -379.045932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.045932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.045932 (E_RNA)
where:
Base-Base interactions energy: -235.471
where: short stacking energy: -111.687
Base-Backbone interact. energy: -1.175
local terms energy: -142.399791
where:
bonds (distance) C4'-P energy: -31.178
bonds (distance) P-C4' energy: -36.002
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -18.783
tors. eta vs tors. theta energy: -23.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -345.719504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.719504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.719504 (E_RNA)
where:
Base-Base interactions energy: -204.167
where: short stacking energy: -85.574
Base-Backbone interact. energy: 0.637
local terms energy: -142.189208
where:
bonds (distance) C4'-P energy: -36.761
bonds (distance) P-C4' energy: -31.932
flat angles C4'-P-C4' energy: -36.586
flat angles P-C4'-P energy: -21.879
tors. eta vs tors. theta energy: -15.031
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: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -177.841782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.841782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.841782 (E_RNA)
where:
Base-Base interactions energy: -83.165
where: short stacking energy: -52.402
Base-Backbone interact. energy: -0.242
local terms energy: -94.559348
where:
bonds (distance) C4'-P energy: -22.232
bonds (distance) P-C4' energy: -31.423
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.124 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -173.923598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.923598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.923598 (E_RNA)
where:
Base-Base interactions energy: -79.023
where: short stacking energy: -69.253
Base-Backbone interact. energy: 2.094
local terms energy: -96.993842
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -10.932
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: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -143.793691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.793691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.793691 (E_RNA)
where:
Base-Base interactions energy: -52.800
where: short stacking energy: -43.138
Base-Backbone interact. energy: 0.491
local terms energy: -91.483865
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -29.373
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -10.358
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: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -580.322316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.322316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.322316 (E_RNA)
where:
Base-Base interactions energy: -385.983
where: short stacking energy: -184.087
Base-Backbone interact. energy: -0.291
local terms energy: -194.631263
where:
bonds (distance) C4'-P energy: -33.084
bonds (distance) P-C4' energy: -38.621
flat angles C4'-P-C4' energy: -40.459
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -62.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.583 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -567.538533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.538533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.538533 (E_RNA)
where:
Base-Base interactions energy: -379.708
where: short stacking energy: -164.079
Base-Backbone interact. energy: -0.124
local terms energy: -187.706125
where:
bonds (distance) C4'-P energy: -30.881
bonds (distance) P-C4' energy: -35.894
flat angles C4'-P-C4' energy: -38.276
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -51.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -512.328861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.328861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.328861 (E_RNA)
where:
Base-Base interactions energy: -350.436
where: short stacking energy: -156.548
Base-Backbone interact. energy: -0.137
local terms energy: -161.755480
where:
bonds (distance) C4'-P energy: -26.555
bonds (distance) P-C4' energy: -30.782
flat angles C4'-P-C4' energy: -34.630
flat angles P-C4'-P energy: -24.671
tors. eta vs tors. theta energy: -45.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -478.529028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.529028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.529028 (E_RNA)
where:
Base-Base interactions energy: -309.329
where: short stacking energy: -133.878
Base-Backbone interact. energy: -1.337
local terms energy: -169.622569
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -36.506
flat angles C4'-P-C4' energy: -36.393
flat angles P-C4'-P energy: -24.396
tors. eta vs tors. theta energy: -41.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.760 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -481.390727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.390727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.390727 (E_RNA)
where:
Base-Base interactions energy: -315.991
where: short stacking energy: -139.351
Base-Backbone interact. energy: -0.164
local terms energy: -165.236328
where:
bonds (distance) C4'-P energy: -27.425
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -40.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -373.332054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.332054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.332054 (E_RNA)
where:
Base-Base interactions energy: -251.795
where: short stacking energy: -130.178
Base-Backbone interact. energy: 2.796
local terms energy: -124.687349
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -33.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.354 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -366.335593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.335593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.335593 (E_RNA)
where:
Base-Base interactions energy: -231.672
where: short stacking energy: -95.984
Base-Backbone interact. energy: -2.448
local terms energy: -132.215093
where:
bonds (distance) C4'-P energy: -32.343
bonds (distance) P-C4' energy: -28.267
flat angles C4'-P-C4' energy: -33.811
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -12.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -183.092235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.092235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.092235 (E_RNA)
where:
Base-Base interactions energy: -76.650
where: short stacking energy: -57.253
Base-Backbone interact. energy: -0.255
local terms energy: -107.192041
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -31.521
flat angles C4'-P-C4' energy: -28.961
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -9.453
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: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -182.094976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.094976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.094976 (E_RNA)
where:
Base-Base interactions energy: -77.396
where: short stacking energy: -53.420
Base-Backbone interact. energy: -1.140
local terms energy: -103.559285
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -30.007
flat angles C4'-P-C4' energy: -34.196
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -136.558494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.558494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.558494 (E_RNA)
where:
Base-Base interactions energy: -51.755
where: short stacking energy: -36.212
Base-Backbone interact. energy: 5.784
local terms energy: -90.618150
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -32.642
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -20.123
tors. eta vs tors. theta energy: 13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.031 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -559.086246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.086246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.086246 (E_RNA)
where:
Base-Base interactions energy: -400.845
where: short stacking energy: -164.129
Base-Backbone interact. energy: 0.889
local terms energy: -159.129797
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -33.149
flat angles C4'-P-C4' energy: -33.896
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -43.785
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: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -540.805883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.805883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.805883 (E_RNA)
where:
Base-Base interactions energy: -365.301
where: short stacking energy: -166.682
Base-Backbone interact. energy: -0.013
local terms energy: -175.491694
where:
bonds (distance) C4'-P energy: -26.370
bonds (distance) P-C4' energy: -36.983
flat angles C4'-P-C4' energy: -38.723
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -53.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -504.536287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.536287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.536287 (E_RNA)
where:
Base-Base interactions energy: -332.269
where: short stacking energy: -151.228
Base-Backbone interact. energy: 0.301
local terms energy: -172.568515
where:
bonds (distance) C4'-P energy: -33.228
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -25.091
tors. eta vs tors. theta energy: -46.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -495.528044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.528044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.528044 (E_RNA)
where:
Base-Base interactions energy: -338.899
where: short stacking energy: -146.261
Base-Backbone interact. energy: -0.559
local terms energy: -156.069689
where:
bonds (distance) C4'-P energy: -25.122
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -42.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -384.611651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.611651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.611651 (E_RNA)
where:
Base-Base interactions energy: -241.196
where: short stacking energy: -116.422
Base-Backbone interact. energy: -0.228
local terms energy: -143.187887
where:
bonds (distance) C4'-P energy: -30.699
bonds (distance) P-C4' energy: -28.835
flat angles C4'-P-C4' energy: -36.786
flat angles P-C4'-P energy: -24.712
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -428.289375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.289375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.289375 (E_RNA)
where:
Base-Base interactions energy: -285.216
where: short stacking energy: -125.008
Base-Backbone interact. energy: -0.147
local terms energy: -142.926171
where:
bonds (distance) C4'-P energy: -25.973
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -26.655
flat angles P-C4'-P energy: -25.636
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: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -368.123161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.123161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.123161 (E_RNA)
where:
Base-Base interactions energy: -236.536
where: short stacking energy: -103.023
Base-Backbone interact. energy: -1.246
local terms energy: -130.340311
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -31.744
flat angles C4'-P-C4' energy: -27.161
flat angles P-C4'-P energy: -20.820
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -210.695352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.695352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.695352 (E_RNA)
where:
Base-Base interactions energy: -97.982
where: short stacking energy: -44.480
Base-Backbone interact. energy: 1.458
local terms energy: -114.170737
where:
bonds (distance) C4'-P energy: -32.832
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -187.899452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.899452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.899452 (E_RNA)
where:
Base-Base interactions energy: -98.182
where: short stacking energy: -38.626
Base-Backbone interact. energy: -1.025
local terms energy: -88.692563
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -38.492
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: 3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -225.009147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.009147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.009147 (E_RNA)
where:
Base-Base interactions energy: -116.961
where: short stacking energy: -53.574
Base-Backbone interact. energy: 2.896
local terms energy: -110.943377
where:
bonds (distance) C4'-P energy: -28.428
bonds (distance) P-C4' energy: -29.019
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -13.687
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: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -572.585504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.585504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.585504 (E_RNA)
where:
Base-Base interactions energy: -389.748
where: short stacking energy: -160.777
Base-Backbone interact. energy: -0.716
local terms energy: -182.121158
where:
bonds (distance) C4'-P energy: -32.808
bonds (distance) P-C4' energy: -38.059
flat angles C4'-P-C4' energy: -35.020
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -49.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -543.928493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.928493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.928493 (E_RNA)
where:
Base-Base interactions energy: -350.808
where: short stacking energy: -154.039
Base-Backbone interact. energy: -0.075
local terms energy: -193.045612
where:
bonds (distance) C4'-P energy: -33.278
bonds (distance) P-C4' energy: -41.838
flat angles C4'-P-C4' energy: -35.049
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -56.717
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: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -494.545121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.545121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.545121 (E_RNA)
where:
Base-Base interactions energy: -333.857
where: short stacking energy: -146.362
Base-Backbone interact. energy: -0.043
local terms energy: -160.645115
where:
bonds (distance) C4'-P energy: -29.771
bonds (distance) P-C4' energy: -28.722
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -48.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -494.172417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.172417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.172417 (E_RNA)
where:
Base-Base interactions energy: -341.514
where: short stacking energy: -138.281
Base-Backbone interact. energy: -0.029
local terms energy: -152.628847
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -32.099
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -20.805
tors. eta vs tors. theta energy: -40.909
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: 161
Temperature: 1.100000
Total energy: -395.728846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.728846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.728846 (E_RNA)
where:
Base-Base interactions energy: -251.411
where: short stacking energy: -107.307
Base-Backbone interact. energy: 1.735
local terms energy: -146.601035
where:
bonds (distance) C4'-P energy: -37.248
bonds (distance) P-C4' energy: -36.335
flat angles C4'-P-C4' energy: -28.585
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -26.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.548 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -448.784313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.784313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.784313 (E_RNA)
where:
Base-Base interactions energy: -289.136
where: short stacking energy: -128.158
Base-Backbone interact. energy: -0.294
local terms energy: -159.354786
where:
bonds (distance) C4'-P energy: -31.572
bonds (distance) P-C4' energy: -28.218
flat angles C4'-P-C4' energy: -35.562
flat angles P-C4'-P energy: -24.828
tors. eta vs tors. theta energy: -39.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -369.608959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.608959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.608959 (E_RNA)
where:
Base-Base interactions energy: -249.556
where: short stacking energy: -105.277
Base-Backbone interact. energy: -0.814
local terms energy: -119.647322
where:
bonds (distance) C4'-P energy: -24.245
bonds (distance) P-C4' energy: -31.593
flat angles C4'-P-C4' energy: -28.337
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -25.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.408 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -180.939345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.939345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.939345 (E_RNA)
where:
Base-Base interactions energy: -79.563
where: short stacking energy: -48.520
Base-Backbone interact. energy: 0.671
local terms energy: -102.047226
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -32.387
flat angles C4'-P-C4' energy: -31.055
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: 6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -151.999223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.999223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.999223 (E_RNA)
where:
Base-Base interactions energy: -51.035
where: short stacking energy: -46.879
Base-Backbone interact. energy: 0.489
local terms energy: -101.452400
where:
bonds (distance) C4'-P energy: -31.986
bonds (distance) P-C4' energy: -26.392
flat angles C4'-P-C4' energy: -26.594
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -194.634749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.634749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.634749 (E_RNA)
where:
Base-Base interactions energy: -94.901
where: short stacking energy: -50.762
Base-Backbone interact. energy: 0.773
local terms energy: -100.507018
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -26.027
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -17.330
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -582.871314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.871314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.871314 (E_RNA)
where:
Base-Base interactions energy: -404.257
where: short stacking energy: -160.345
Base-Backbone interact. energy: 5.035
local terms energy: -183.649635
where:
bonds (distance) C4'-P energy: -36.942
bonds (distance) P-C4' energy: -33.199
flat angles C4'-P-C4' energy: -38.505
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -50.807
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: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -532.655250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.655250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.655250 (E_RNA)
where:
Base-Base interactions energy: -363.400
where: short stacking energy: -153.567
Base-Backbone interact. energy: -0.110
local terms energy: -169.144632
where:
bonds (distance) C4'-P energy: -29.419
bonds (distance) P-C4' energy: -32.913
flat angles C4'-P-C4' energy: -35.551
flat angles P-C4'-P energy: -26.409
tors. eta vs tors. theta energy: -44.853
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: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -536.779213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.779213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.779213 (E_RNA)
where:
Base-Base interactions energy: -351.169
where: short stacking energy: -158.652
Base-Backbone interact. energy: -0.682
local terms energy: -184.928813
where:
bonds (distance) C4'-P energy: -41.475
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -37.773
flat angles P-C4'-P energy: -25.989
tors. eta vs tors. theta energy: -46.876
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: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -490.487201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.487201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.487201 (E_RNA)
where:
Base-Base interactions energy: -331.160
where: short stacking energy: -151.023
Base-Backbone interact. energy: -0.353
local terms energy: -158.974265
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -30.860
flat angles C4'-P-C4' energy: -38.695
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -44.907
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: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -479.713819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.713819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.713819 (E_RNA)
where:
Base-Base interactions energy: -322.859
where: short stacking energy: -139.767
Base-Backbone interact. energy: -0.250
local terms energy: -157.004941
where:
bonds (distance) C4'-P energy: -26.327
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -38.688
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -40.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.400 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -382.011455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.011455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.011455 (E_RNA)
where:
Base-Base interactions energy: -249.633
where: short stacking energy: -103.489
Base-Backbone interact. energy: 0.172
local terms energy: -132.550988
where:
bonds (distance) C4'-P energy: -23.231
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -17.339
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: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -372.771949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.771949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.771949 (E_RNA)
where:
Base-Base interactions energy: -225.323
where: short stacking energy: -103.080
Base-Backbone interact. energy: 0.363
local terms energy: -148.067470
where:
bonds (distance) C4'-P energy: -23.280
bonds (distance) P-C4' energy: -39.441
flat angles C4'-P-C4' energy: -34.113
flat angles P-C4'-P energy: -23.114
tors. eta vs tors. theta energy: -28.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.256 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -167.293399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.293399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.293399 (E_RNA)
where:
Base-Base interactions energy: -68.456
where: short stacking energy: -53.796
Base-Backbone interact. energy: -0.906
local terms energy: -97.931324
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -161.133704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.133704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.133704 (E_RNA)
where:
Base-Base interactions energy: -46.793
where: short stacking energy: -39.334
Base-Backbone interact. energy: -0.665
local terms energy: -113.781704
where:
bonds (distance) C4'-P energy: -30.602
bonds (distance) P-C4' energy: -36.105
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.106 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -165.540172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.540172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.540172 (E_RNA)
where:
Base-Base interactions energy: -80.778
where: short stacking energy: -49.422
Base-Backbone interact. energy: 1.769
local terms energy: -86.531294
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -28.597
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -17.916
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: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -574.582461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.582461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.582461 (E_RNA)
where:
Base-Base interactions energy: -377.827
where: short stacking energy: -164.754
Base-Backbone interact. energy: -0.157
local terms energy: -196.597853
where:
bonds (distance) C4'-P energy: -41.716
bonds (distance) P-C4' energy: -37.952
flat angles C4'-P-C4' energy: -40.175
flat angles P-C4'-P energy: -26.345
tors. eta vs tors. theta energy: -50.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -547.859076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.859076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.859076 (E_RNA)
where:
Base-Base interactions energy: -370.854
where: short stacking energy: -161.695
Base-Backbone interact. energy: -0.074
local terms energy: -176.931102
where:
bonds (distance) C4'-P energy: -33.087
bonds (distance) P-C4' energy: -37.706
flat angles C4'-P-C4' energy: -34.151
flat angles P-C4'-P energy: -22.223
tors. eta vs tors. theta energy: -49.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -539.715879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.715879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.715879 (E_RNA)
where:
Base-Base interactions energy: -358.082
where: short stacking energy: -171.780
Base-Backbone interact. energy: -0.006
local terms energy: -181.628367
where:
bonds (distance) C4'-P energy: -29.282
bonds (distance) P-C4' energy: -37.166
flat angles C4'-P-C4' energy: -38.772
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -56.215
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: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -465.206618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.206618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.206618 (E_RNA)
where:
Base-Base interactions energy: -314.861
where: short stacking energy: -145.869
Base-Backbone interact. energy: -0.324
local terms energy: -150.022080
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -29.812
flat angles P-C4'-P energy: -24.032
tors. eta vs tors. theta energy: -45.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -459.734320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.734320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.734320 (E_RNA)
where:
Base-Base interactions energy: -300.235
where: short stacking energy: -121.053
Base-Backbone interact. energy: -0.218
local terms energy: -159.280492
where:
bonds (distance) C4'-P energy: -25.417
bonds (distance) P-C4' energy: -30.878
flat angles C4'-P-C4' energy: -37.376
flat angles P-C4'-P energy: -25.558
tors. eta vs tors. theta energy: -40.052
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: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -366.441944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.441944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.441944 (E_RNA)
where:
Base-Base interactions energy: -234.060
where: short stacking energy: -99.687
Base-Backbone interact. energy: -0.349
local terms energy: -132.033443
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -32.327
flat angles C4'-P-C4' energy: -29.028
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -365.397659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.397659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.397659 (E_RNA)
where:
Base-Base interactions energy: -236.910
where: short stacking energy: -99.579
Base-Backbone interact. energy: -1.013
local terms energy: -127.475213
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -24.925
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: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -157.983186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.983186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.983186 (E_RNA)
where:
Base-Base interactions energy: -57.243
where: short stacking energy: -53.342
Base-Backbone interact. energy: 1.977
local terms energy: -102.716499
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -34.126
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: 1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -156.231215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.231215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.231215 (E_RNA)
where:
Base-Base interactions energy: -53.943
where: short stacking energy: -36.960
Base-Backbone interact. energy: 0.458
local terms energy: -102.745657
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -32.242
flat angles C4'-P-C4' energy: -33.708
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: 2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -181.584564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.584564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.584564 (E_RNA)
where:
Base-Base interactions energy: -92.728
where: short stacking energy: -53.748
Base-Backbone interact. energy: -0.477
local terms energy: -88.379457
where:
bonds (distance) C4'-P energy: -30.902
bonds (distance) P-C4' energy: -32.445
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: 3.325
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: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -564.679315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.679315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.679315 (E_RNA)
where:
Base-Base interactions energy: -383.329
where: short stacking energy: -147.144
Base-Backbone interact. energy: -1.154
local terms energy: -180.196965
where:
bonds (distance) C4'-P energy: -34.226
bonds (distance) P-C4' energy: -36.752
flat angles C4'-P-C4' energy: -39.760
flat angles P-C4'-P energy: -23.228
tors. eta vs tors. theta energy: -46.232
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: 164
Temperature: 0.950000
Total energy: -534.258853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.258853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.258853 (E_RNA)
where:
Base-Base interactions energy: -356.348
where: short stacking energy: -146.852
Base-Backbone interact. energy: -0.962
local terms energy: -176.948673
where:
bonds (distance) C4'-P energy: -30.803
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -47.404
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: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -534.028140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.028140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.028140 (E_RNA)
where:
Base-Base interactions energy: -355.878
where: short stacking energy: -150.851
Base-Backbone interact. energy: -0.153
local terms energy: -177.997875
where:
bonds (distance) C4'-P energy: -30.281
bonds (distance) P-C4' energy: -41.268
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -47.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -456.133752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.133752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.133752 (E_RNA)
where:
Base-Base interactions energy: -292.590
where: short stacking energy: -134.464
Base-Backbone interact. energy: -0.305
local terms energy: -163.238130
where:
bonds (distance) C4'-P energy: -32.938
bonds (distance) P-C4' energy: -34.169
flat angles C4'-P-C4' energy: -31.907
flat angles P-C4'-P energy: -24.851
tors. eta vs tors. theta energy: -39.373
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: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -432.942392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.942392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.942392 (E_RNA)
where:
Base-Base interactions energy: -290.234
where: short stacking energy: -127.958
Base-Backbone interact. energy: -1.339
local terms energy: -141.369632
where:
bonds (distance) C4'-P energy: -29.089
bonds (distance) P-C4' energy: -29.220
flat angles C4'-P-C4' energy: -28.629
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -33.371
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: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -340.636742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.636742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.636742 (E_RNA)
where:
Base-Base interactions energy: -210.960
where: short stacking energy: -116.316
Base-Backbone interact. energy: 1.202
local terms energy: -130.878505
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -30.027
flat angles C4'-P-C4' energy: -31.132
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -21.448
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: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -356.833430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.833430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.833430 (E_RNA)
where:
Base-Base interactions energy: -224.414
where: short stacking energy: -92.275
Base-Backbone interact. energy: -0.440
local terms energy: -133.034568
where:
bonds (distance) C4'-P energy: -33.438
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: -23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.056 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -189.537795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.537795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.537795 (E_RNA)
where:
Base-Base interactions energy: -84.577
where: short stacking energy: -51.554
Base-Backbone interact. energy: -1.147
local terms energy: -103.814174
where:
bonds (distance) C4'-P energy: -26.704
bonds (distance) P-C4' energy: -29.822
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -153.966976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.966976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.966976 (E_RNA)
where:
Base-Base interactions energy: -49.906
where: short stacking energy: -41.600
Base-Backbone interact. energy: -0.608
local terms energy: -103.452528
where:
bonds (distance) C4'-P energy: -31.156
bonds (distance) P-C4' energy: -32.515
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -22.316
tors. eta vs tors. theta energy: 3.267
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: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -170.217351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.217351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.217351 (E_RNA)
where:
Base-Base interactions energy: -82.155
where: short stacking energy: -43.673
Base-Backbone interact. energy: 2.672
local terms energy: -90.735175
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -30.829
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -5.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -578.045283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.045283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.045283 (E_RNA)
where:
Base-Base interactions energy: -398.250
where: short stacking energy: -163.840
Base-Backbone interact. energy: -0.521
local terms energy: -179.274113
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -28.444
flat angles C4'-P-C4' energy: -37.628
flat angles P-C4'-P energy: -29.928
tors. eta vs tors. theta energy: -51.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -554.040642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.040642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.040642 (E_RNA)
where:
Base-Base interactions energy: -372.976
where: short stacking energy: -167.200
Base-Backbone interact. energy: -0.546
local terms energy: -180.518917
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -37.288
flat angles P-C4'-P energy: -28.441
tors. eta vs tors. theta energy: -52.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -532.158517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.158517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.158517 (E_RNA)
where:
Base-Base interactions energy: -359.605
where: short stacking energy: -164.352
Base-Backbone interact. energy: -0.536
local terms energy: -172.016927
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -35.885
flat angles P-C4'-P energy: -26.894
tors. eta vs tors. theta energy: -48.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -482.907634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.907634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.907634 (E_RNA)
where:
Base-Base interactions energy: -322.457
where: short stacking energy: -134.982
Base-Backbone interact. energy: -0.726
local terms energy: -159.724456
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -33.486
flat angles C4'-P-C4' energy: -33.403
flat angles P-C4'-P energy: -21.076
tors. eta vs tors. theta energy: -40.990
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: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -447.258866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.258866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.258866 (E_RNA)
where:
Base-Base interactions energy: -297.210
where: short stacking energy: -136.218
Base-Backbone interact. energy: -1.484
local terms energy: -148.564917
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -28.833
flat angles C4'-P-C4' energy: -31.971
flat angles P-C4'-P energy: -22.331
tors. eta vs tors. theta energy: -38.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -384.060632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.060632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.060632 (E_RNA)
where:
Base-Base interactions energy: -243.622
where: short stacking energy: -98.467
Base-Backbone interact. energy: -1.409
local terms energy: -139.030346
where:
bonds (distance) C4'-P energy: -26.953
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -35.663
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -23.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -337.299654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.299654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.299654 (E_RNA)
where:
Base-Base interactions energy: -218.660
where: short stacking energy: -89.922
Base-Backbone interact. energy: -0.046
local terms energy: -119.568991
where:
bonds (distance) C4'-P energy: -27.440
bonds (distance) P-C4' energy: -39.939
flat angles C4'-P-C4' energy: -26.018
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.976 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -219.985839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.985839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.985839 (E_RNA)
where:
Base-Base interactions energy: -102.942
where: short stacking energy: -47.998
Base-Backbone interact. energy: 0.209
local terms energy: -117.252593
where:
bonds (distance) C4'-P energy: -29.708
bonds (distance) P-C4' energy: -33.248
flat angles C4'-P-C4' energy: -36.223
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -6.886
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: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -163.943829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.943829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.943829 (E_RNA)
where:
Base-Base interactions energy: -56.202
where: short stacking energy: -50.764
Base-Backbone interact. energy: -0.504
local terms energy: -107.237454
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -37.179
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -2.446
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: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -152.003098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.003098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.003098 (E_RNA)
where:
Base-Base interactions energy: -52.354
where: short stacking energy: -44.346
Base-Backbone interact. energy: -1.418
local terms energy: -98.231211
where:
bonds (distance) C4'-P energy: -28.313
bonds (distance) P-C4' energy: -31.654
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -16.534
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -576.742007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.742007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.742007 (E_RNA)
where:
Base-Base interactions energy: -400.243
where: short stacking energy: -162.229
Base-Backbone interact. energy: -0.915
local terms energy: -175.584426
where:
bonds (distance) C4'-P energy: -32.873
bonds (distance) P-C4' energy: -30.542
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -52.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -547.839737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.839737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.839737 (E_RNA)
where:
Base-Base interactions energy: -370.281
where: short stacking energy: -162.082
Base-Backbone interact. energy: -0.103
local terms energy: -177.456294
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -37.800
flat angles C4'-P-C4' energy: -39.759
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -48.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -529.363794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.363794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.363794 (E_RNA)
where:
Base-Base interactions energy: -362.854
where: short stacking energy: -147.631
Base-Backbone interact. energy: -0.311
local terms energy: -166.198755
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -33.716
flat angles C4'-P-C4' energy: -39.141
flat angles P-C4'-P energy: -25.420
tors. eta vs tors. theta energy: -45.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -496.548505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.548505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.548505 (E_RNA)
where:
Base-Base interactions energy: -330.095
where: short stacking energy: -136.735
Base-Backbone interact. energy: 0.218
local terms energy: -166.671527
where:
bonds (distance) C4'-P energy: -27.961
bonds (distance) P-C4' energy: -37.122
flat angles C4'-P-C4' energy: -35.646
flat angles P-C4'-P energy: -22.784
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: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -411.267298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.267298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.267298 (E_RNA)
where:
Base-Base interactions energy: -254.785
where: short stacking energy: -112.477
Base-Backbone interact. energy: -0.317
local terms energy: -156.165368
where:
bonds (distance) C4'-P energy: -30.607
bonds (distance) P-C4' energy: -37.107
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -26.761
tors. eta vs tors. theta energy: -29.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -422.013681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.013681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.013681 (E_RNA)
where:
Base-Base interactions energy: -266.909
where: short stacking energy: -120.767
Base-Backbone interact. energy: 0.234
local terms energy: -155.338411
where:
bonds (distance) C4'-P energy: -36.565
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -30.575
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -35.219
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: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -319.412710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.412710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.412710 (E_RNA)
where:
Base-Base interactions energy: -185.043
where: short stacking energy: -92.857
Base-Backbone interact. energy: -0.980
local terms energy: -133.389552
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -30.364
flat angles C4'-P-C4' energy: -33.387
flat angles P-C4'-P energy: -18.680
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: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -156.403569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.403569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.403569 (E_RNA)
where:
Base-Base interactions energy: -46.694
where: short stacking energy: -36.961
Base-Backbone interact. energy: -0.684
local terms energy: -109.025096
where:
bonds (distance) C4'-P energy: -28.899
bonds (distance) P-C4' energy: -32.157
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -149.465280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.465280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.465280 (E_RNA)
where:
Base-Base interactions energy: -44.955
where: short stacking energy: -35.144
Base-Backbone interact. energy: -0.519
local terms energy: -103.991490
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -31.186
flat angles C4'-P-C4' energy: -36.280
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: 4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -143.928416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.928416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.928416 (E_RNA)
where:
Base-Base interactions energy: -55.241
where: short stacking energy: -37.068
Base-Backbone interact. energy: -3.104
local terms energy: -85.583224
where:
bonds (distance) C4'-P energy: -23.442
bonds (distance) P-C4' energy: -23.550
flat angles C4'-P-C4' energy: -24.506
flat angles P-C4'-P energy: -21.170
tors. eta vs tors. theta energy: 7.084
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: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -585.589060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.589060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.589060 (E_RNA)
where:
Base-Base interactions energy: -400.698
where: short stacking energy: -168.806
Base-Backbone interact. energy: -1.342
local terms energy: -183.549782
where:
bonds (distance) C4'-P energy: -34.469
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -36.427
flat angles P-C4'-P energy: -27.850
tors. eta vs tors. theta energy: -52.272
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: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -530.938239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.938239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.938239 (E_RNA)
where:
Base-Base interactions energy: -359.460
where: short stacking energy: -159.021
Base-Backbone interact. energy: -0.580
local terms energy: -170.897942
where:
bonds (distance) C4'-P energy: -29.108
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -48.727
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: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -529.412686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.412686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.412686 (E_RNA)
where:
Base-Base interactions energy: -366.176
where: short stacking energy: -158.598
Base-Backbone interact. energy: -0.507
local terms energy: -162.729750
where:
bonds (distance) C4'-P energy: -23.955
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -35.970
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -49.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -479.728952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.728952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.728952 (E_RNA)
where:
Base-Base interactions energy: -310.829
where: short stacking energy: -133.487
Base-Backbone interact. energy: -0.107
local terms energy: -168.793560
where:
bonds (distance) C4'-P energy: -36.618
bonds (distance) P-C4' energy: -38.084
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -23.583
tors. eta vs tors. theta energy: -36.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -417.316830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.316830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.316830 (E_RNA)
where:
Base-Base interactions energy: -274.201
where: short stacking energy: -131.933
Base-Backbone interact. energy: -0.043
local terms energy: -143.072964
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -34.715
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -34.337
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: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -430.031611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.031611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.031611 (E_RNA)
where:
Base-Base interactions energy: -274.907
where: short stacking energy: -136.369
Base-Backbone interact. energy: -0.729
local terms energy: -155.283992
where:
bonds (distance) C4'-P energy: -27.870
bonds (distance) P-C4' energy: -27.359
flat angles C4'-P-C4' energy: -35.914
flat angles P-C4'-P energy: -25.956
tors. eta vs tors. theta energy: -38.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.888 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -311.198621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.198621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.198621 (E_RNA)
where:
Base-Base interactions energy: -195.013
where: short stacking energy: -84.796
Base-Backbone interact. energy: -0.655
local terms energy: -115.531268
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -25.079
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -20.776
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: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -202.646449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.646449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.646449 (E_RNA)
where:
Base-Base interactions energy: -87.968
where: short stacking energy: -50.931
Base-Backbone interact. energy: 1.306
local terms energy: -115.983534
where:
bonds (distance) C4'-P energy: -26.543
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -37.056
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -237.958463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.958463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.958463 (E_RNA)
where:
Base-Base interactions energy: -131.417
where: short stacking energy: -69.807
Base-Backbone interact. energy: -1.640
local terms energy: -104.902081
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -24.033
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -10.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -148.443978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.443978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.443978 (E_RNA)
where:
Base-Base interactions energy: -62.017
where: short stacking energy: -49.143
Base-Backbone interact. energy: 2.300
local terms energy: -88.726417
where:
bonds (distance) C4'-P energy: -32.318
bonds (distance) P-C4' energy: -28.357
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: 8.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -570.936130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.936130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.936130 (E_RNA)
where:
Base-Base interactions energy: -387.320
where: short stacking energy: -159.219
Base-Backbone interact. energy: 0.288
local terms energy: -184.158970
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -35.035
flat angles C4'-P-C4' energy: -36.518
flat angles P-C4'-P energy: -29.773
tors. eta vs tors. theta energy: -48.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.255 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -543.443446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.443446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.443446 (E_RNA)
where:
Base-Base interactions energy: -361.565
where: short stacking energy: -146.089
Base-Backbone interact. energy: -0.859
local terms energy: -181.018770
where:
bonds (distance) C4'-P energy: -36.191
bonds (distance) P-C4' energy: -36.768
flat angles C4'-P-C4' energy: -37.526
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -47.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -528.148763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.148763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.148763 (E_RNA)
where:
Base-Base interactions energy: -348.403
where: short stacking energy: -164.979
Base-Backbone interact. energy: -0.364
local terms energy: -179.381361
where:
bonds (distance) C4'-P energy: -32.813
bonds (distance) P-C4' energy: -35.595
flat angles C4'-P-C4' energy: -34.527
flat angles P-C4'-P energy: -26.283
tors. eta vs tors. theta energy: -50.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -477.144599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.144599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.144599 (E_RNA)
where:
Base-Base interactions energy: -317.986
where: short stacking energy: -131.860
Base-Backbone interact. energy: 0.920
local terms energy: -160.079135
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -34.464
flat angles C4'-P-C4' energy: -35.436
flat angles P-C4'-P energy: -23.977
tors. eta vs tors. theta energy: -33.865
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: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -455.410261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.410261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.410261 (E_RNA)
where:
Base-Base interactions energy: -309.421
where: short stacking energy: -131.437
Base-Backbone interact. energy: -0.649
local terms energy: -145.339998
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -28.411
flat angles C4'-P-C4' energy: -31.365
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -38.722
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: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -378.200292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.200292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.200292 (E_RNA)
where:
Base-Base interactions energy: -243.523
where: short stacking energy: -114.714
Base-Backbone interact. energy: 2.851
local terms energy: -137.528467
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -35.645
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -28.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -317.961234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.961234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.961234 (E_RNA)
where:
Base-Base interactions energy: -188.891
where: short stacking energy: -91.518
Base-Backbone interact. energy: -0.692
local terms energy: -128.379042
where:
bonds (distance) C4'-P energy: -25.347
bonds (distance) P-C4' energy: -25.178
flat angles C4'-P-C4' energy: -31.340
flat angles P-C4'-P energy: -24.449
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -163.252791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.252791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.252791 (E_RNA)
where:
Base-Base interactions energy: -55.271
where: short stacking energy: -49.728
Base-Backbone interact. energy: -0.324
local terms energy: -108.876707
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: 0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.219 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -261.602914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.602914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.602914 (E_RNA)
where:
Base-Base interactions energy: -158.318
where: short stacking energy: -75.819
Base-Backbone interact. energy: -0.907
local terms energy: -102.869795
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -34.712
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.492 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -146.174689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.174689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.174689 (E_RNA)
where:
Base-Base interactions energy: -46.859
where: short stacking energy: -24.563
Base-Backbone interact. energy: -0.068
local terms energy: -99.247744
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -36.610
flat angles C4'-P-C4' energy: -25.313
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: 5.522
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: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -571.507885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.507885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.507885 (E_RNA)
where:
Base-Base interactions energy: -397.098
where: short stacking energy: -168.503
Base-Backbone interact. energy: -0.100
local terms energy: -174.647171
where:
bonds (distance) C4'-P energy: -30.926
bonds (distance) P-C4' energy: -35.754
flat angles C4'-P-C4' energy: -38.681
flat angles P-C4'-P energy: -24.295
tors. eta vs tors. theta energy: -44.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.337 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -553.814631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.814631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.814631 (E_RNA)
where:
Base-Base interactions energy: -376.888
where: short stacking energy: -162.771
Base-Backbone interact. energy: -1.007
local terms energy: -175.919776
where:
bonds (distance) C4'-P energy: -31.978
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -58.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -544.410754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.410754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.410754 (E_RNA)
where:
Base-Base interactions energy: -369.052
where: short stacking energy: -163.510
Base-Backbone interact. energy: -0.677
local terms energy: -174.681670
where:
bonds (distance) C4'-P energy: -29.424
bonds (distance) P-C4' energy: -32.506
flat angles C4'-P-C4' energy: -34.528
flat angles P-C4'-P energy: -27.748
tors. eta vs tors. theta energy: -50.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -484.778523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.778523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.778523 (E_RNA)
where:
Base-Base interactions energy: -319.105
where: short stacking energy: -137.598
Base-Backbone interact. energy: -0.699
local terms energy: -164.975078
where:
bonds (distance) C4'-P energy: -28.135
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -37.128
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -40.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -432.518171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.518171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.518171 (E_RNA)
where:
Base-Base interactions energy: -286.850
where: short stacking energy: -122.636
Base-Backbone interact. energy: -0.527
local terms energy: -145.141204
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -36.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -340.297567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.297567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.297567 (E_RNA)
where:
Base-Base interactions energy: -218.083
where: short stacking energy: -103.963
Base-Backbone interact. energy: -0.682
local terms energy: -121.533022
where:
bonds (distance) C4'-P energy: -29.844
bonds (distance) P-C4' energy: -27.924
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -17.660
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -378.661768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.661768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.661768 (E_RNA)
where:
Base-Base interactions energy: -253.346
where: short stacking energy: -110.705
Base-Backbone interact. energy: -0.804
local terms energy: -125.009161
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -30.159
flat angles C4'-P-C4' energy: -25.892
flat angles P-C4'-P energy: -17.082
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.497 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -287.707813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.707813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.707813 (E_RNA)
where:
Base-Base interactions energy: -169.753
where: short stacking energy: -79.189
Base-Backbone interact. energy: -2.694
local terms energy: -115.260459
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -16.198
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: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -149.209455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.209455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.209455 (E_RNA)
where:
Base-Base interactions energy: -58.145
where: short stacking energy: -49.561
Base-Backbone interact. energy: -1.143
local terms energy: -90.544105
where:
bonds (distance) C4'-P energy: -28.194
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.623 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -151.998696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.998696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.998696 (E_RNA)
where:
Base-Base interactions energy: -46.842
where: short stacking energy: -30.947
Base-Backbone interact. energy: -0.151
local terms energy: -105.005876
where:
bonds (distance) C4'-P energy: -31.538
bonds (distance) P-C4' energy: -36.764
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -21.777
tors. eta vs tors. theta energy: 1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -568.292222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.292222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.292222 (E_RNA)
where:
Base-Base interactions energy: -396.831
where: short stacking energy: -166.023
Base-Backbone interact. energy: -0.521
local terms energy: -170.940436
where:
bonds (distance) C4'-P energy: -30.820
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -39.176
flat angles P-C4'-P energy: -25.234
tors. eta vs tors. theta energy: -45.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -528.044562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.044562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.044562 (E_RNA)
where:
Base-Base interactions energy: -356.574
where: short stacking energy: -151.498
Base-Backbone interact. energy: -2.024
local terms energy: -169.446252
where:
bonds (distance) C4'-P energy: -31.517
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -34.722
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -47.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -538.326021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.326021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.326021 (E_RNA)
where:
Base-Base interactions energy: -360.896
where: short stacking energy: -155.699
Base-Backbone interact. energy: -0.772
local terms energy: -176.657758
where:
bonds (distance) C4'-P energy: -32.462
bonds (distance) P-C4' energy: -35.216
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -50.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -518.570046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.570046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.570046 (E_RNA)
where:
Base-Base interactions energy: -358.593
where: short stacking energy: -147.705
Base-Backbone interact. energy: 0.241
local terms energy: -160.218593
where:
bonds (distance) C4'-P energy: -34.254
bonds (distance) P-C4' energy: -30.917
flat angles C4'-P-C4' energy: -37.697
flat angles P-C4'-P energy: -17.986
tors. eta vs tors. theta energy: -39.364
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: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -424.776938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.776938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.776938 (E_RNA)
where:
Base-Base interactions energy: -266.864
where: short stacking energy: -119.842
Base-Backbone interact. energy: -0.300
local terms energy: -157.612532
where:
bonds (distance) C4'-P energy: -33.053
bonds (distance) P-C4' energy: -35.861
flat angles C4'-P-C4' energy: -28.024
flat angles P-C4'-P energy: -21.899
tors. eta vs tors. theta energy: -38.776
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: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -341.694197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.694197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.694197 (E_RNA)
where:
Base-Base interactions energy: -200.768
where: short stacking energy: -101.416
Base-Backbone interact. energy: -1.090
local terms energy: -139.836185
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -33.132
flat angles C4'-P-C4' energy: -34.577
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -21.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -402.896423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.896423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.896423 (E_RNA)
where:
Base-Base interactions energy: -267.609
where: short stacking energy: -114.099
Base-Backbone interact. energy: -2.137
local terms energy: -135.055235
where:
bonds (distance) C4'-P energy: -25.483
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -35.171
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.904 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -285.236885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.236885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.236885 (E_RNA)
where:
Base-Base interactions energy: -159.249
where: short stacking energy: -81.202
Base-Backbone interact. energy: -0.709
local terms energy: -125.279589
where:
bonds (distance) C4'-P energy: -26.256
bonds (distance) P-C4' energy: -35.153
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -198.114215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.114215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.114215 (E_RNA)
where:
Base-Base interactions energy: -98.796
where: short stacking energy: -63.067
Base-Backbone interact. energy: -0.388
local terms energy: -98.930605
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -31.439
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -8.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -161.897324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.897324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.897324 (E_RNA)
where:
Base-Base interactions energy: -67.860
where: short stacking energy: -39.563
Base-Backbone interact. energy: -0.329
local terms energy: -93.733013
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -28.149
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -19.058
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: 0.025 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -575.100230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.100230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.100230 (E_RNA)
where:
Base-Base interactions energy: -393.160
where: short stacking energy: -171.328
Base-Backbone interact. energy: -0.580
local terms energy: -181.360341
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -30.486
flat angles C4'-P-C4' energy: -36.945
flat angles P-C4'-P energy: -32.694
tors. eta vs tors. theta energy: -47.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -552.935565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.935565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.935565 (E_RNA)
where:
Base-Base interactions energy: -368.308
where: short stacking energy: -160.355
Base-Backbone interact. energy: 0.809
local terms energy: -185.435986
where:
bonds (distance) C4'-P energy: -35.008
bonds (distance) P-C4' energy: -37.293
flat angles C4'-P-C4' energy: -37.926
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -51.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -530.282014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.282014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.282014 (E_RNA)
where:
Base-Base interactions energy: -353.774
where: short stacking energy: -155.562
Base-Backbone interact. energy: -0.191
local terms energy: -176.316722
where:
bonds (distance) C4'-P energy: -30.878
bonds (distance) P-C4' energy: -30.843
flat angles C4'-P-C4' energy: -38.499
flat angles P-C4'-P energy: -26.606
tors. eta vs tors. theta energy: -49.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -537.255029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.255029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.255029 (E_RNA)
where:
Base-Base interactions energy: -362.237
where: short stacking energy: -156.625
Base-Backbone interact. energy: -0.198
local terms energy: -174.820805
where:
bonds (distance) C4'-P energy: -35.472
bonds (distance) P-C4' energy: -34.141
flat angles C4'-P-C4' energy: -36.360
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -43.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -432.348297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.348297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.348297 (E_RNA)
where:
Base-Base interactions energy: -281.124
where: short stacking energy: -121.455
Base-Backbone interact. energy: -1.106
local terms energy: -150.118285
where:
bonds (distance) C4'-P energy: -39.463
bonds (distance) P-C4' energy: -28.036
flat angles C4'-P-C4' energy: -31.535
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -29.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -413.157476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.157476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.157476 (E_RNA)
where:
Base-Base interactions energy: -272.145
where: short stacking energy: -117.249
Base-Backbone interact. energy: -1.680
local terms energy: -139.333123
where:
bonds (distance) C4'-P energy: -24.336
bonds (distance) P-C4' energy: -28.561
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -35.416
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: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -334.433269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.433269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.433269 (E_RNA)
where:
Base-Base interactions energy: -197.439
where: short stacking energy: -116.672
Base-Backbone interact. energy: -0.070
local terms energy: -136.924379
where:
bonds (distance) C4'-P energy: -25.617
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -29.444
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -28.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -282.709043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.709043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.709043 (E_RNA)
where:
Base-Base interactions energy: -159.614
where: short stacking energy: -77.861
Base-Backbone interact. energy: 0.824
local terms energy: -123.919259
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -23.824
flat angles C4'-P-C4' energy: -36.012
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -208.303363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.303363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.303363 (E_RNA)
where:
Base-Base interactions energy: -113.317
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.418
local terms energy: -94.567716
where:
bonds (distance) C4'-P energy: -28.055
bonds (distance) P-C4' energy: -26.009
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -156.991469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.991469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.991469 (E_RNA)
where:
Base-Base interactions energy: -60.476
where: short stacking energy: -41.791
Base-Backbone interact. energy: 0.260
local terms energy: -96.775313
where:
bonds (distance) C4'-P energy: -28.710
bonds (distance) P-C4' energy: -35.694
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: 5.108
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: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -571.404892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.404892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.404892 (E_RNA)
where:
Base-Base interactions energy: -387.243
where: short stacking energy: -160.864
Base-Backbone interact. energy: -0.169
local terms energy: -183.993500
where:
bonds (distance) C4'-P energy: -34.073
bonds (distance) P-C4' energy: -33.855
flat angles C4'-P-C4' energy: -39.746
flat angles P-C4'-P energy: -31.017
tors. eta vs tors. theta energy: -45.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -559.939222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.939222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.939222 (E_RNA)
where:
Base-Base interactions energy: -363.015
where: short stacking energy: -172.590
Base-Backbone interact. energy: -0.339
local terms energy: -196.584874
where:
bonds (distance) C4'-P energy: -35.696
bonds (distance) P-C4' energy: -39.760
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -28.177
tors. eta vs tors. theta energy: -53.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -529.355973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.355973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.355973 (E_RNA)
where:
Base-Base interactions energy: -366.713
where: short stacking energy: -155.184
Base-Backbone interact. energy: -0.714
local terms energy: -161.929132
where:
bonds (distance) C4'-P energy: -34.501
bonds (distance) P-C4' energy: -30.670
flat angles C4'-P-C4' energy: -35.418
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -38.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -506.493568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.493568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.493568 (E_RNA)
where:
Base-Base interactions energy: -332.404
where: short stacking energy: -154.384
Base-Backbone interact. energy: -0.454
local terms energy: -173.635802
where:
bonds (distance) C4'-P energy: -33.247
bonds (distance) P-C4' energy: -23.092
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -30.906
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: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -440.622763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.622763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.622763 (E_RNA)
where:
Base-Base interactions energy: -297.366
where: short stacking energy: -131.751
Base-Backbone interact. energy: -0.338
local terms energy: -142.918335
where:
bonds (distance) C4'-P energy: -34.502
bonds (distance) P-C4' energy: -26.464
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -18.630
tors. eta vs tors. theta energy: -34.893
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: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -386.498993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.498993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.498993 (E_RNA)
where:
Base-Base interactions energy: -238.503
where: short stacking energy: -97.473
Base-Backbone interact. energy: -1.498
local terms energy: -146.498061
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -31.705
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -318.741272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.741272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.741272 (E_RNA)
where:
Base-Base interactions energy: -187.145
where: short stacking energy: -105.422
Base-Backbone interact. energy: 2.943
local terms energy: -134.539293
where:
bonds (distance) C4'-P energy: -27.904
bonds (distance) P-C4' energy: -37.407
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -279.405209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.405209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.405209 (E_RNA)
where:
Base-Base interactions energy: -174.945
where: short stacking energy: -80.361
Base-Backbone interact. energy: -0.731
local terms energy: -103.729668
where:
bonds (distance) C4'-P energy: -29.597
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -5.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -215.501374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.501374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.501374 (E_RNA)
where:
Base-Base interactions energy: -120.278
where: short stacking energy: -61.087
Base-Backbone interact. energy: -0.007
local terms energy: -95.216789
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -31.902
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -147.326603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.326603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.326603 (E_RNA)
where:
Base-Base interactions energy: -58.967
where: short stacking energy: -50.840
Base-Backbone interact. energy: 0.587
local terms energy: -88.946173
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -18.449
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -559.850114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.850114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.850114 (E_RNA)
where:
Base-Base interactions energy: -385.797
where: short stacking energy: -154.568
Base-Backbone interact. energy: -0.124
local terms energy: -173.929228
where:
bonds (distance) C4'-P energy: -38.567
bonds (distance) P-C4' energy: -30.671
flat angles C4'-P-C4' energy: -33.907
flat angles P-C4'-P energy: -27.386
tors. eta vs tors. theta energy: -43.398
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: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -547.788188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.788188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.788188 (E_RNA)
where:
Base-Base interactions energy: -374.044
where: short stacking energy: -160.918
Base-Backbone interact. energy: -0.623
local terms energy: -173.121358
where:
bonds (distance) C4'-P energy: -33.955
bonds (distance) P-C4' energy: -35.973
flat angles C4'-P-C4' energy: -34.568
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -48.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -550.728203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.728203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.728203 (E_RNA)
where:
Base-Base interactions energy: -373.139
where: short stacking energy: -164.798
Base-Backbone interact. energy: -0.148
local terms energy: -177.441026
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -38.254
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -52.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -469.300833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.300833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.300833 (E_RNA)
where:
Base-Base interactions energy: -302.647
where: short stacking energy: -143.355
Base-Backbone interact. energy: -0.198
local terms energy: -167.938592
where:
bonds (distance) C4'-P energy: -33.599
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -34.762
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -42.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.483 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -520.630542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.630542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.630542 (E_RNA)
where:
Base-Base interactions energy: -347.868
where: short stacking energy: -145.562
Base-Backbone interact. energy: -0.202
local terms energy: -172.560170
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -32.933
flat angles C4'-P-C4' energy: -33.452
flat angles P-C4'-P energy: -27.765
tors. eta vs tors. theta energy: -48.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -384.891844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.891844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.891844 (E_RNA)
where:
Base-Base interactions energy: -234.279
where: short stacking energy: -100.296
Base-Backbone interact. energy: -0.500
local terms energy: -150.113490
where:
bonds (distance) C4'-P energy: -30.649
bonds (distance) P-C4' energy: -35.730
flat angles C4'-P-C4' energy: -31.017
flat angles P-C4'-P energy: -22.720
tors. eta vs tors. theta energy: -29.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -314.944580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.944580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.944580 (E_RNA)
where:
Base-Base interactions energy: -188.569
where: short stacking energy: -94.909
Base-Backbone interact. energy: 0.257
local terms energy: -126.632966
where:
bonds (distance) C4'-P energy: -27.222
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -28.104
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -23.031
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: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -313.696218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.696218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.696218 (E_RNA)
where:
Base-Base interactions energy: -172.725
where: short stacking energy: -77.963
Base-Backbone interact. energy: -1.027
local terms energy: -139.944118
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -31.245
flat angles C4'-P-C4' energy: -30.049
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -194.241892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.241892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.241892 (E_RNA)
where:
Base-Base interactions energy: -92.689
where: short stacking energy: -39.601
Base-Backbone interact. energy: 1.445
local terms energy: -102.997196
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -30.803
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: 4.888
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: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -171.466596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.466596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.466596 (E_RNA)
where:
Base-Base interactions energy: -91.279
where: short stacking energy: -66.254
Base-Backbone interact. energy: -0.827
local terms energy: -79.359940
where:
bonds (distance) C4'-P energy: -31.882
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -559.913022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.913022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.913022 (E_RNA)
where:
Base-Base interactions energy: -379.557
where: short stacking energy: -157.590
Base-Backbone interact. energy: -0.003
local terms energy: -180.353682
where:
bonds (distance) C4'-P energy: -30.800
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -37.772
flat angles P-C4'-P energy: -32.301
tors. eta vs tors. theta energy: -46.395
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: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -525.925567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.925567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.925567 (E_RNA)
where:
Base-Base interactions energy: -349.022
where: short stacking energy: -146.816
Base-Backbone interact. energy: -0.298
local terms energy: -176.605009
where:
bonds (distance) C4'-P energy: -32.078
bonds (distance) P-C4' energy: -33.252
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -31.170
tors. eta vs tors. theta energy: -45.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -562.166839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.166839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.166839 (E_RNA)
where:
Base-Base interactions energy: -373.337
where: short stacking energy: -171.945
Base-Backbone interact. energy: -0.576
local terms energy: -188.253548
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -36.414
flat angles C4'-P-C4' energy: -36.576
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -58.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -469.848515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.848515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.848515 (E_RNA)
where:
Base-Base interactions energy: -315.860
where: short stacking energy: -148.533
Base-Backbone interact. energy: -0.501
local terms energy: -154.267375
where:
bonds (distance) C4'-P energy: -26.768
bonds (distance) P-C4' energy: -36.842
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -42.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.780 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -477.548524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.548524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.548524 (E_RNA)
where:
Base-Base interactions energy: -315.440
where: short stacking energy: -129.655
Base-Backbone interact. energy: -0.683
local terms energy: -161.425736
where:
bonds (distance) C4'-P energy: -31.997
bonds (distance) P-C4' energy: -30.292
flat angles C4'-P-C4' energy: -32.043
flat angles P-C4'-P energy: -21.250
tors. eta vs tors. theta energy: -45.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -424.073569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.073569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.073569 (E_RNA)
where:
Base-Base interactions energy: -274.147
where: short stacking energy: -116.481
Base-Backbone interact. energy: -0.483
local terms energy: -150.034131
where:
bonds (distance) C4'-P energy: -28.090
bonds (distance) P-C4' energy: -33.811
flat angles C4'-P-C4' energy: -31.838
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -31.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.590 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -323.480751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.480751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.480751 (E_RNA)
where:
Base-Base interactions energy: -206.137
where: short stacking energy: -86.332
Base-Backbone interact. energy: -1.189
local terms energy: -116.155329
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -28.306
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -322.882292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.882292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.882292 (E_RNA)
where:
Base-Base interactions energy: -196.105
where: short stacking energy: -93.384
Base-Backbone interact. energy: -0.863
local terms energy: -125.913691
where:
bonds (distance) C4'-P energy: -28.542
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -36.334
flat angles P-C4'-P energy: -19.552
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -158.793752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.793752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.793752 (E_RNA)
where:
Base-Base interactions energy: -56.497
where: short stacking energy: -50.037
Base-Backbone interact. energy: 1.731
local terms energy: -104.028476
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -32.841
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -149.754957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.754957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.754957 (E_RNA)
where:
Base-Base interactions energy: -42.069
where: short stacking energy: -39.011
Base-Backbone interact. energy: -1.478
local terms energy: -106.207652
where:
bonds (distance) C4'-P energy: -36.772
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: 2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -569.756439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.756439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.756439 (E_RNA)
where:
Base-Base interactions energy: -397.980
where: short stacking energy: -163.843
Base-Backbone interact. energy: -0.263
local terms energy: -171.514263
where:
bonds (distance) C4'-P energy: -28.504
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -36.456
flat angles P-C4'-P energy: -19.582
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: 2, replica: 1
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -560.134908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.134908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.134908 (E_RNA)
where:
Base-Base interactions energy: -389.250
where: short stacking energy: -168.721
Base-Backbone interact. energy: -0.075
local terms energy: -170.809884
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -31.991
flat angles C4'-P-C4' energy: -34.516
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -50.500
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: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -539.969741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.969741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.969741 (E_RNA)
where:
Base-Base interactions energy: -369.915
where: short stacking energy: -156.512
Base-Backbone interact. energy: 0.408
local terms energy: -170.462681
where:
bonds (distance) C4'-P energy: -32.996
bonds (distance) P-C4' energy: -33.558
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -20.675
tors. eta vs tors. theta energy: -46.945
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: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -510.618507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.618507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.618507 (E_RNA)
where:
Base-Base interactions energy: -346.950
where: short stacking energy: -149.922
Base-Backbone interact. energy: -0.314
local terms energy: -163.354246
where:
bonds (distance) C4'-P energy: -29.934
bonds (distance) P-C4' energy: -33.390
flat angles C4'-P-C4' energy: -31.395
flat angles P-C4'-P energy: -21.236
tors. eta vs tors. theta energy: -47.399
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: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -476.580409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.580409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.580409 (E_RNA)
where:
Base-Base interactions energy: -328.010
where: short stacking energy: -153.954
Base-Backbone interact. energy: -0.430
local terms energy: -148.140156
where:
bonds (distance) C4'-P energy: -31.413
bonds (distance) P-C4' energy: -32.922
flat angles C4'-P-C4' energy: -27.652
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -39.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -401.758885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.758885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.758885 (E_RNA)
where:
Base-Base interactions energy: -252.209
where: short stacking energy: -116.137
Base-Backbone interact. energy: -0.313
local terms energy: -149.236487
where:
bonds (distance) C4'-P energy: -31.628
bonds (distance) P-C4' energy: -29.684
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -33.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -309.651624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.651624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.651624 (E_RNA)
where:
Base-Base interactions energy: -183.416
where: short stacking energy: -88.657
Base-Backbone interact. energy: -0.362
local terms energy: -125.873977
where:
bonds (distance) C4'-P energy: -35.828
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -22.936
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -19.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -297.621578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.621578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.621578 (E_RNA)
where:
Base-Base interactions energy: -184.787
where: short stacking energy: -76.719
Base-Backbone interact. energy: 0.370
local terms energy: -113.204137
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -26.140
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -21.483
tors. eta vs tors. theta energy: -18.056
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: 175
Temperature: 1.300000
Total energy: -161.010586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.010586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.010586 (E_RNA)
where:
Base-Base interactions energy: -50.594
where: short stacking energy: -39.510
Base-Backbone interact. energy: 1.476
local terms energy: -111.892708
where:
bonds (distance) C4'-P energy: -27.778
bonds (distance) P-C4' energy: -35.264
flat angles C4'-P-C4' energy: -27.249
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -150.620457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.620457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.620457 (E_RNA)
where:
Base-Base interactions energy: -61.578
where: short stacking energy: -48.442
Base-Backbone interact. energy: -0.421
local terms energy: -88.621975
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -31.367
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: 7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -570.918189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.918189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.918189 (E_RNA)
where:
Base-Base interactions energy: -389.640
where: short stacking energy: -160.221
Base-Backbone interact. energy: -0.933
local terms energy: -180.344662
where:
bonds (distance) C4'-P energy: -30.433
bonds (distance) P-C4' energy: -35.319
flat angles C4'-P-C4' energy: -35.206
flat angles P-C4'-P energy: -31.027
tors. eta vs tors. theta energy: -48.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -569.564209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.564209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.564209 (E_RNA)
where:
Base-Base interactions energy: -376.663
where: short stacking energy: -178.239
Base-Backbone interact. energy: -0.618
local terms energy: -192.282408
where:
bonds (distance) C4'-P energy: -32.156
bonds (distance) P-C4' energy: -39.670
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -27.121
tors. eta vs tors. theta energy: -58.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -518.164283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.164283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.164283 (E_RNA)
where:
Base-Base interactions energy: -344.146
where: short stacking energy: -146.448
Base-Backbone interact. energy: -0.195
local terms energy: -173.823444
where:
bonds (distance) C4'-P energy: -32.582
bonds (distance) P-C4' energy: -36.723
flat angles C4'-P-C4' energy: -35.157
flat angles P-C4'-P energy: -25.290
tors. eta vs tors. theta energy: -44.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -509.693809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.693809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.693809 (E_RNA)
where:
Base-Base interactions energy: -343.886
where: short stacking energy: -148.669
Base-Backbone interact. energy: -0.619
local terms energy: -165.189238
where:
bonds (distance) C4'-P energy: -32.031
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -36.122
flat angles P-C4'-P energy: -22.754
tors. eta vs tors. theta energy: -43.025
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: 176
Temperature: 1.100000
Total energy: -467.614612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.614612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.614612 (E_RNA)
where:
Base-Base interactions energy: -315.556
where: short stacking energy: -137.041
Base-Backbone interact. energy: -0.628
local terms energy: -151.430449
where:
bonds (distance) C4'-P energy: -30.189
bonds (distance) P-C4' energy: -30.379
flat angles C4'-P-C4' energy: -34.732
flat angles P-C4'-P energy: -17.155
tors. eta vs tors. theta energy: -38.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -388.345670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.345670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.345670 (E_RNA)
where:
Base-Base interactions energy: -243.194
where: short stacking energy: -112.986
Base-Backbone interact. energy: -0.422
local terms energy: -144.729980
where:
bonds (distance) C4'-P energy: -28.670
bonds (distance) P-C4' energy: -37.249
flat angles C4'-P-C4' energy: -32.854
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -22.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -323.256988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.256988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.256988 (E_RNA)
where:
Base-Base interactions energy: -196.005
where: short stacking energy: -93.259
Base-Backbone interact. energy: 0.929
local terms energy: -128.181163
where:
bonds (distance) C4'-P energy: -29.570
bonds (distance) P-C4' energy: -33.822
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -17.918
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -305.987794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.987794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.987794 (E_RNA)
where:
Base-Base interactions energy: -187.625
where: short stacking energy: -90.105
Base-Backbone interact. energy: -0.103
local terms energy: -118.259846
where:
bonds (distance) C4'-P energy: -27.414
bonds (distance) P-C4' energy: -31.022
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -22.288
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -175.380224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.380224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.380224 (E_RNA)
where:
Base-Base interactions energy: -68.953
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.844
local terms energy: -107.212331
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -39.540
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.629 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -144.520802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.520802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.520802 (E_RNA)
where:
Base-Base interactions energy: -50.622
where: short stacking energy: -41.051
Base-Backbone interact. energy: -0.815
local terms energy: -93.635179
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -35.947
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: 15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.551 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -576.067071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.067071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.067071 (E_RNA)
where:
Base-Base interactions energy: -397.305
where: short stacking energy: -170.805
Base-Backbone interact. energy: -0.384
local terms energy: -178.377715
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -37.034
flat angles C4'-P-C4' energy: -33.729
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -48.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -546.190573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.190573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.190573 (E_RNA)
where:
Base-Base interactions energy: -378.497
where: short stacking energy: -162.639
Base-Backbone interact. energy: 2.150
local terms energy: -169.843184
where:
bonds (distance) C4'-P energy: -31.655
bonds (distance) P-C4' energy: -32.224
flat angles C4'-P-C4' energy: -35.847
flat angles P-C4'-P energy: -27.836
tors. eta vs tors. theta energy: -42.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -540.413644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.413644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.413644 (E_RNA)
where:
Base-Base interactions energy: -359.112
where: short stacking energy: -157.486
Base-Backbone interact. energy: -0.252
local terms energy: -181.048746
where:
bonds (distance) C4'-P energy: -30.322
bonds (distance) P-C4' energy: -31.839
flat angles C4'-P-C4' energy: -41.744
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -52.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -508.031418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.031418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.031418 (E_RNA)
where:
Base-Base interactions energy: -332.892
where: short stacking energy: -148.440
Base-Backbone interact. energy: -0.702
local terms energy: -174.436708
where:
bonds (distance) C4'-P energy: -27.439
bonds (distance) P-C4' energy: -36.003
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -49.427
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: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -468.078981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.078981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.078981 (E_RNA)
where:
Base-Base interactions energy: -307.756
where: short stacking energy: -139.752
Base-Backbone interact. energy: -0.585
local terms energy: -159.738362
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -29.306
flat angles C4'-P-C4' energy: -36.459
flat angles P-C4'-P energy: -19.536
tors. eta vs tors. theta energy: -42.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -388.002870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.002870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.002870 (E_RNA)
where:
Base-Base interactions energy: -251.264
where: short stacking energy: -112.571
Base-Backbone interact. energy: -0.322
local terms energy: -136.417329
where:
bonds (distance) C4'-P energy: -31.080
bonds (distance) P-C4' energy: -35.552
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -26.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -299.596503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.596503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.596503 (E_RNA)
where:
Base-Base interactions energy: -188.505
where: short stacking energy: -74.292
Base-Backbone interact. energy: -0.832
local terms energy: -110.259510
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -29.619
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -22.867
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -291.884483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.884483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.884483 (E_RNA)
where:
Base-Base interactions energy: -166.903
where: short stacking energy: -88.535
Base-Backbone interact. energy: -0.462
local terms energy: -124.519419
where:
bonds (distance) C4'-P energy: -30.100
bonds (distance) P-C4' energy: -30.255
flat angles C4'-P-C4' energy: -23.684
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -22.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -171.404497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.404497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.404497 (E_RNA)
where:
Base-Base interactions energy: -55.638
where: short stacking energy: -45.868
Base-Backbone interact. energy: -0.486
local terms energy: -115.279764
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -38.448
flat angles C4'-P-C4' energy: -33.432
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -152.727170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.727170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.727170 (E_RNA)
where:
Base-Base interactions energy: -52.933
where: short stacking energy: -37.412
Base-Backbone interact. energy: -0.539
local terms energy: -99.254495
where:
bonds (distance) C4'-P energy: -26.906
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: 0.263
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: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -554.432470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.432470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.432470 (E_RNA)
where:
Base-Base interactions energy: -373.187
where: short stacking energy: -156.682
Base-Backbone interact. energy: -0.090
local terms energy: -181.155769
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -37.745
flat angles C4'-P-C4' energy: -33.593
flat angles P-C4'-P energy: -22.876
tors. eta vs tors. theta energy: -51.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -581.223815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.223815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.223815 (E_RNA)
where:
Base-Base interactions energy: -383.223
where: short stacking energy: -162.714
Base-Backbone interact. energy: -0.308
local terms energy: -197.693177
where:
bonds (distance) C4'-P energy: -36.621
bonds (distance) P-C4' energy: -40.785
flat angles C4'-P-C4' energy: -37.640
flat angles P-C4'-P energy: -26.516
tors. eta vs tors. theta energy: -56.131
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: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -523.898113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.898113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.898113 (E_RNA)
where:
Base-Base interactions energy: -353.697
where: short stacking energy: -157.575
Base-Backbone interact. energy: -0.570
local terms energy: -169.631260
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -33.459
flat angles C4'-P-C4' energy: -38.887
flat angles P-C4'-P energy: -20.079
tors. eta vs tors. theta energy: -46.078
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: 1
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -518.192430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.192430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.192430 (E_RNA)
where:
Base-Base interactions energy: -333.015
where: short stacking energy: -144.401
Base-Backbone interact. energy: -0.021
local terms energy: -185.156672
where:
bonds (distance) C4'-P energy: -37.247
bonds (distance) P-C4' energy: -37.660
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -46.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -435.928756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.928756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.928756 (E_RNA)
where:
Base-Base interactions energy: -278.351
where: short stacking energy: -138.761
Base-Backbone interact. energy: -0.076
local terms energy: -157.502393
where:
bonds (distance) C4'-P energy: -26.539
bonds (distance) P-C4' energy: -38.215
flat angles C4'-P-C4' energy: -33.406
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -33.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -365.446277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.446277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.446277 (E_RNA)
where:
Base-Base interactions energy: -231.167
where: short stacking energy: -97.440
Base-Backbone interact. energy: -0.462
local terms energy: -133.816438
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -32.876
flat angles C4'-P-C4' energy: -34.974
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -22.978
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: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -308.586218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.586218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.586218 (E_RNA)
where:
Base-Base interactions energy: -178.621
where: short stacking energy: -76.566
Base-Backbone interact. energy: -0.846
local terms energy: -129.119137
where:
bonds (distance) C4'-P energy: -29.829
bonds (distance) P-C4' energy: -35.120
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -27.205
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -298.998351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.998351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.998351 (E_RNA)
where:
Base-Base interactions energy: -169.285
where: short stacking energy: -93.879
Base-Backbone interact. energy: 0.143
local terms energy: -129.855846
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -32.519
flat angles P-C4'-P energy: -25.413
tors. eta vs tors. theta energy: -19.241
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: 178
Temperature: 1.300000
Total energy: -154.738425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.738425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.738425 (E_RNA)
where:
Base-Base interactions energy: -65.181
where: short stacking energy: -59.261
Base-Backbone interact. energy: 0.766
local terms energy: -90.323887
where:
bonds (distance) C4'-P energy: -24.784
bonds (distance) P-C4' energy: -27.249
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: 1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -147.488633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.488633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.488633 (E_RNA)
where:
Base-Base interactions energy: -65.965
where: short stacking energy: -47.646
Base-Backbone interact. energy: -1.587
local terms energy: -79.937332
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -32.344
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -555.384592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.384592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.384592 (E_RNA)
where:
Base-Base interactions energy: -386.416
where: short stacking energy: -157.657
Base-Backbone interact. energy: -0.098
local terms energy: -168.870695
where:
bonds (distance) C4'-P energy: -32.779
bonds (distance) P-C4' energy: -33.604
flat angles C4'-P-C4' energy: -32.975
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -45.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -562.405854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.405854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.405854 (E_RNA)
where:
Base-Base interactions energy: -379.762
where: short stacking energy: -168.675
Base-Backbone interact. energy: -0.480
local terms energy: -182.164430
where:
bonds (distance) C4'-P energy: -35.397
bonds (distance) P-C4' energy: -36.065
flat angles C4'-P-C4' energy: -41.329
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -44.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -507.524965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.524965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.524965 (E_RNA)
where:
Base-Base interactions energy: -344.549
where: short stacking energy: -149.693
Base-Backbone interact. energy: -1.151
local terms energy: -161.824986
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -33.748
flat angles P-C4'-P energy: -27.854
tors. eta vs tors. theta energy: -44.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -518.400617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.400617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.400617 (E_RNA)
where:
Base-Base interactions energy: -353.200
where: short stacking energy: -156.352
Base-Backbone interact. energy: -0.479
local terms energy: -164.721941
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -35.948
flat angles C4'-P-C4' energy: -35.227
flat angles P-C4'-P energy: -23.752
tors. eta vs tors. theta energy: -45.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -443.337437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.337437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.337437 (E_RNA)
where:
Base-Base interactions energy: -289.965
where: short stacking energy: -134.768
Base-Backbone interact. energy: -0.291
local terms energy: -153.081270
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -24.182
flat angles C4'-P-C4' energy: -32.968
flat angles P-C4'-P energy: -25.667
tors. eta vs tors. theta energy: -36.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -390.910965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.910965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.910965 (E_RNA)
where:
Base-Base interactions energy: -245.477
where: short stacking energy: -102.890
Base-Backbone interact. energy: -0.582
local terms energy: -144.851645
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -33.900
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: -26.503
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: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -312.174662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.174662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.174662 (E_RNA)
where:
Base-Base interactions energy: -176.310
where: short stacking energy: -75.999
Base-Backbone interact. energy: 0.241
local terms energy: -136.105266
where:
bonds (distance) C4'-P energy: -34.611
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -30.092
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -20.153
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: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -300.208258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.208258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.208258 (E_RNA)
where:
Base-Base interactions energy: -191.422
where: short stacking energy: -96.395
Base-Backbone interact. energy: -0.313
local terms energy: -108.473760
where:
bonds (distance) C4'-P energy: -25.075
bonds (distance) P-C4' energy: -29.327
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -16.714
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -177.864111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.864111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.864111 (E_RNA)
where:
Base-Base interactions energy: -76.282
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.482
local terms energy: -101.099797
where:
bonds (distance) C4'-P energy: -32.082
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -28.121
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -162.941273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.941273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.941273 (E_RNA)
where:
Base-Base interactions energy: -62.450
where: short stacking energy: -49.113
Base-Backbone interact. energy: -0.127
local terms energy: -100.520839
where:
bonds (distance) C4'-P energy: -30.720
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.157 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -561.996125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.996125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.996125 (E_RNA)
where:
Base-Base interactions energy: -380.029
where: short stacking energy: -161.418
Base-Backbone interact. energy: -0.680
local terms energy: -181.286718
where:
bonds (distance) C4'-P energy: -37.467
bonds (distance) P-C4' energy: -34.168
flat angles C4'-P-C4' energy: -34.704
flat angles P-C4'-P energy: -27.477
tors. eta vs tors. theta energy: -47.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -546.557099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.557099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.557099 (E_RNA)
where:
Base-Base interactions energy: -369.717
where: short stacking energy: -150.779
Base-Backbone interact. energy: -0.108
local terms energy: -176.732604
where:
bonds (distance) C4'-P energy: -32.573
bonds (distance) P-C4' energy: -37.169
flat angles C4'-P-C4' energy: -36.574
flat angles P-C4'-P energy: -27.926
tors. eta vs tors. theta energy: -42.491
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: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -550.206841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.206841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.206841 (E_RNA)
where:
Base-Base interactions energy: -373.367
where: short stacking energy: -155.856
Base-Backbone interact. energy: -0.019
local terms energy: -176.820863
where:
bonds (distance) C4'-P energy: -34.442
bonds (distance) P-C4' energy: -35.311
flat angles C4'-P-C4' energy: -31.657
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -49.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -517.203706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.203706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.203706 (E_RNA)
where:
Base-Base interactions energy: -339.522
where: short stacking energy: -155.064
Base-Backbone interact. energy: -0.717
local terms energy: -176.963868
where:
bonds (distance) C4'-P energy: -28.046
bonds (distance) P-C4' energy: -36.763
flat angles C4'-P-C4' energy: -35.698
flat angles P-C4'-P energy: -27.588
tors. eta vs tors. theta energy: -48.869
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: 180
Temperature: 1.100000
Total energy: -437.010147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.010147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.010147 (E_RNA)
where:
Base-Base interactions energy: -290.338
where: short stacking energy: -142.442
Base-Backbone interact. energy: -0.105
local terms energy: -146.566908
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -29.791
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -38.992
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: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -368.867237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.867237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.867237 (E_RNA)
where:
Base-Base interactions energy: -237.783
where: short stacking energy: -90.828
Base-Backbone interact. energy: -0.165
local terms energy: -130.919869
where:
bonds (distance) C4'-P energy: -33.781
bonds (distance) P-C4' energy: -29.494
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -22.930
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: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -333.161963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.161963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.161963 (E_RNA)
where:
Base-Base interactions energy: -192.736
where: short stacking energy: -102.768
Base-Backbone interact. energy: -1.383
local terms energy: -139.043447
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -35.559
flat angles P-C4'-P energy: -27.036
tors. eta vs tors. theta energy: -24.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -314.303895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.303895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.303895 (E_RNA)
where:
Base-Base interactions energy: -192.867
where: short stacking energy: -87.581
Base-Backbone interact. energy: -1.030
local terms energy: -120.406921
where:
bonds (distance) C4'-P energy: -26.444
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -186.643546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.643546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.643546 (E_RNA)
where:
Base-Base interactions energy: -86.025
where: short stacking energy: -58.345
Base-Backbone interact. energy: 0.429
local terms energy: -102.152791
where:
bonds (distance) C4'-P energy: -28.547
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -21.905
flat angles P-C4'-P energy: -20.414
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: 1.106 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -149.430262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.430262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.430262 (E_RNA)
where:
Base-Base interactions energy: -46.571
where: short stacking energy: -38.057
Base-Backbone interact. energy: -0.448
local terms energy: -102.410402
where:
bonds (distance) C4'-P energy: -24.021
bonds (distance) P-C4' energy: -33.707
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: 1.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -576.878984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.878984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.878984 (E_RNA)
where:
Base-Base interactions energy: -400.182
where: short stacking energy: -162.092
Base-Backbone interact. energy: -1.470
local terms energy: -175.227397
where:
bonds (distance) C4'-P energy: -33.268
bonds (distance) P-C4' energy: -33.510
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -52.025
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: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -550.813380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.813380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.813380 (E_RNA)
where:
Base-Base interactions energy: -381.082
where: short stacking energy: -167.135
Base-Backbone interact. energy: -0.141
local terms energy: -169.589716
where:
bonds (distance) C4'-P energy: -35.267
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -25.522
tors. eta vs tors. theta energy: -48.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -534.408656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.408656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.408656 (E_RNA)
where:
Base-Base interactions energy: -367.346
where: short stacking energy: -156.879
Base-Backbone interact. energy: -0.010
local terms energy: -167.052564
where:
bonds (distance) C4'-P energy: -35.192
bonds (distance) P-C4' energy: -28.946
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -49.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -504.047820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.047820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.047820 (E_RNA)
where:
Base-Base interactions energy: -342.791
where: short stacking energy: -160.881
Base-Backbone interact. energy: -0.017
local terms energy: -161.239680
where:
bonds (distance) C4'-P energy: -29.973
bonds (distance) P-C4' energy: -32.409
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -24.411
tors. eta vs tors. theta energy: -44.717
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: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -445.112511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.112511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.112511 (E_RNA)
where:
Base-Base interactions energy: -307.394
where: short stacking energy: -140.175
Base-Backbone interact. energy: -0.513
local terms energy: -137.205457
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -25.059
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -34.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -340.545628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.545628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.545628 (E_RNA)
where:
Base-Base interactions energy: -216.177
where: short stacking energy: -97.914
Base-Backbone interact. energy: -0.274
local terms energy: -124.094735
where:
bonds (distance) C4'-P energy: -32.354
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -21.900
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: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -366.439782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.439782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.439782 (E_RNA)
where:
Base-Base interactions energy: -237.300
where: short stacking energy: -99.450
Base-Backbone interact. energy: -1.145
local terms energy: -127.994990
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -22.483
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -342.369083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.369083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.369083 (E_RNA)
where:
Base-Base interactions energy: -218.969
where: short stacking energy: -90.454
Base-Backbone interact. energy: -1.030
local terms energy: -122.369718
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -29.164
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -153.758641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.758641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.758641 (E_RNA)
where:
Base-Base interactions energy: -60.144
where: short stacking energy: -53.061
Base-Backbone interact. energy: -0.706
local terms energy: -94.576129
where:
bonds (distance) C4'-P energy: -30.054
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -16.909
tors. eta vs tors. theta energy: 2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.668 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -150.526584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.526584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.526584 (E_RNA)
where:
Base-Base interactions energy: -47.146
where: short stacking energy: -33.357
Base-Backbone interact. energy: -0.654
local terms energy: -102.880320
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -33.560
flat angles C4'-P-C4' energy: -27.044
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: 1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.154 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -578.862721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.862721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.862721 (E_RNA)
where:
Base-Base interactions energy: -404.879
where: short stacking energy: -168.550
Base-Backbone interact. energy: -0.565
local terms energy: -173.418212
where:
bonds (distance) C4'-P energy: -33.871
bonds (distance) P-C4' energy: -27.891
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: -53.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -535.978010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.978010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.978010 (E_RNA)
where:
Base-Base interactions energy: -365.971
where: short stacking energy: -149.659
Base-Backbone interact. energy: -0.025
local terms energy: -169.982620
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -37.877
flat angles C4'-P-C4' energy: -33.294
flat angles P-C4'-P energy: -22.719
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: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -501.662752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.662752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.662752 (E_RNA)
where:
Base-Base interactions energy: -333.947
where: short stacking energy: -137.852
Base-Backbone interact. energy: -0.345
local terms energy: -168.661683
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -39.237
flat angles P-C4'-P energy: -23.276
tors. eta vs tors. theta energy: -42.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.291 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -511.142562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.142562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.142562 (E_RNA)
where:
Base-Base interactions energy: -355.467
where: short stacking energy: -143.711
Base-Backbone interact. energy: -0.098
local terms energy: -155.577643
where:
bonds (distance) C4'-P energy: -29.596
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -20.821
tors. eta vs tors. theta energy: -39.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -447.682529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.682529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.682529 (E_RNA)
where:
Base-Base interactions energy: -295.352
where: short stacking energy: -138.428
Base-Backbone interact. energy: -0.336
local terms energy: -152.059374
where:
bonds (distance) C4'-P energy: -30.469
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -34.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.065 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -323.062907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.062907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.062907 (E_RNA)
where:
Base-Base interactions energy: -195.167
where: short stacking energy: -83.063
Base-Backbone interact. energy: -0.675
local terms energy: -127.221647
where:
bonds (distance) C4'-P energy: -35.737
bonds (distance) P-C4' energy: -34.190
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -10.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -366.137329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.137329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.137329 (E_RNA)
where:
Base-Base interactions energy: -221.319
where: short stacking energy: -104.569
Base-Backbone interact. energy: -0.520
local terms energy: -144.298412
where:
bonds (distance) C4'-P energy: -31.337
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -26.222
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -30.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -345.971667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.971667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.971667 (E_RNA)
where:
Base-Base interactions energy: -224.709
where: short stacking energy: -94.550
Base-Backbone interact. energy: -0.586
local terms energy: -120.677634
where:
bonds (distance) C4'-P energy: -21.604
bonds (distance) P-C4' energy: -34.697
flat angles C4'-P-C4' energy: -26.108
flat angles P-C4'-P energy: -17.129
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: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -183.379625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.379625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.379625 (E_RNA)
where:
Base-Base interactions energy: -83.512
where: short stacking energy: -47.655
Base-Backbone interact. energy: -0.229
local terms energy: -99.638455
where:
bonds (distance) C4'-P energy: -27.642
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -1.452
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: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -165.883146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.883146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.883146 (E_RNA)
where:
Base-Base interactions energy: -69.268
where: short stacking energy: -38.299
Base-Backbone interact. energy: 1.965
local terms energy: -98.580015
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -24.472
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: 0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -577.037606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.037606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.037606 (E_RNA)
where:
Base-Base interactions energy: -394.524
where: short stacking energy: -154.266
Base-Backbone interact. energy: -0.571
local terms energy: -181.964696
where:
bonds (distance) C4'-P energy: -30.475
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -40.117
flat angles P-C4'-P energy: -29.029
tors. eta vs tors. theta energy: -49.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.022 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -518.935040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.935040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.935040 (E_RNA)
where:
Base-Base interactions energy: -358.265
where: short stacking energy: -143.523
Base-Backbone interact. energy: -0.722
local terms energy: -161.558499
where:
bonds (distance) C4'-P energy: -32.731
bonds (distance) P-C4' energy: -30.350
flat angles C4'-P-C4' energy: -36.646
flat angles P-C4'-P energy: -27.555
tors. eta vs tors. theta energy: -34.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.610 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -531.972338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.972338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.972338 (E_RNA)
where:
Base-Base interactions energy: -359.686
where: short stacking energy: -153.251
Base-Backbone interact. energy: 0.882
local terms energy: -173.168632
where:
bonds (distance) C4'-P energy: -33.405
bonds (distance) P-C4' energy: -31.237
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -44.603
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: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -508.889978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.889978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.889978 (E_RNA)
where:
Base-Base interactions energy: -345.922
where: short stacking energy: -149.414
Base-Backbone interact. energy: -0.243
local terms energy: -162.724618
where:
bonds (distance) C4'-P energy: -25.994
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -34.425
flat angles P-C4'-P energy: -28.649
tors. eta vs tors. theta energy: -43.715
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: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -429.910603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.910603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.910603 (E_RNA)
where:
Base-Base interactions energy: -269.332
where: short stacking energy: -133.003
Base-Backbone interact. energy: 1.269
local terms energy: -161.848196
where:
bonds (distance) C4'-P energy: -30.169
bonds (distance) P-C4' energy: -30.918
flat angles C4'-P-C4' energy: -38.973
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -40.828
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: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -354.334786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.334786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.334786 (E_RNA)
where:
Base-Base interactions energy: -204.488
where: short stacking energy: -107.717
Base-Backbone interact. energy: -0.215
local terms energy: -149.631382
where:
bonds (distance) C4'-P energy: -31.055
bonds (distance) P-C4' energy: -39.436
flat angles C4'-P-C4' energy: -34.733
flat angles P-C4'-P energy: -17.710
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: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -338.190114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.190114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.190114 (E_RNA)
where:
Base-Base interactions energy: -202.105
where: short stacking energy: -97.357
Base-Backbone interact. energy: 1.426
local terms energy: -137.510972
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -37.637
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -319.235334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.235334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.235334 (E_RNA)
where:
Base-Base interactions energy: -192.607
where: short stacking energy: -85.633
Base-Backbone interact. energy: 0.011
local terms energy: -126.639669
where:
bonds (distance) C4'-P energy: -32.733
bonds (distance) P-C4' energy: -34.874
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -172.107144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.107144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.107144 (E_RNA)
where:
Base-Base interactions energy: -66.926
where: short stacking energy: -53.302
Base-Backbone interact. energy: 1.472
local terms energy: -106.652844
where:
bonds (distance) C4'-P energy: -31.769
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -23.111
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -148.015978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.015978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.015978 (E_RNA)
where:
Base-Base interactions energy: -51.288
where: short stacking energy: -33.501
Base-Backbone interact. energy: -1.312
local terms energy: -95.514949
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -29.013
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: 11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.098 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -578.215837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.215837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.215837 (E_RNA)
where:
Base-Base interactions energy: -398.397
where: short stacking energy: -166.250
Base-Backbone interact. energy: -0.298
local terms energy: -181.056361
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -37.189
flat angles C4'-P-C4' energy: -35.727
flat angles P-C4'-P energy: -27.138
tors. eta vs tors. theta energy: -47.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.536 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -534.276647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.276647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.276647 (E_RNA)
where:
Base-Base interactions energy: -360.180
where: short stacking energy: -156.643
Base-Backbone interact. energy: 1.295
local terms energy: -175.391647
where:
bonds (distance) C4'-P energy: -34.677
bonds (distance) P-C4' energy: -31.182
flat angles C4'-P-C4' energy: -34.694
flat angles P-C4'-P energy: -25.607
tors. eta vs tors. theta energy: -49.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -537.791295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.791295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.791295 (E_RNA)
where:
Base-Base interactions energy: -376.264
where: short stacking energy: -151.432
Base-Backbone interact. energy: -0.280
local terms energy: -161.246989
where:
bonds (distance) C4'-P energy: -30.537
bonds (distance) P-C4' energy: -37.189
flat angles C4'-P-C4' energy: -32.007
flat angles P-C4'-P energy: -17.661
tors. eta vs tors. theta energy: -43.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -522.786066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.786066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.786066 (E_RNA)
where:
Base-Base interactions energy: -348.300
where: short stacking energy: -155.911
Base-Backbone interact. energy: -0.086
local terms energy: -175.048082
where:
bonds (distance) C4'-P energy: -35.647
bonds (distance) P-C4' energy: -34.428
flat angles C4'-P-C4' energy: -35.460
flat angles P-C4'-P energy: -24.320
tors. eta vs tors. theta energy: -45.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.648 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -457.391770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.391770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.391770 (E_RNA)
where:
Base-Base interactions energy: -295.991
where: short stacking energy: -129.542
Base-Backbone interact. energy: 0.046
local terms energy: -161.910542
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -36.102
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -37.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.464 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -331.966088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.966088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.966088 (E_RNA)
where:
Base-Base interactions energy: -202.367
where: short stacking energy: -93.069
Base-Backbone interact. energy: 0.252
local terms energy: -129.850999
where:
bonds (distance) C4'-P energy: -25.680
bonds (distance) P-C4' energy: -28.787
flat angles C4'-P-C4' energy: -30.577
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -22.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -367.285434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.285434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.285434 (E_RNA)
where:
Base-Base interactions energy: -236.368
where: short stacking energy: -106.859
Base-Backbone interact. energy: 0.374
local terms energy: -131.291139
where:
bonds (distance) C4'-P energy: -28.739
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -28.542
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -304.541414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.541414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.541414 (E_RNA)
where:
Base-Base interactions energy: -180.259
where: short stacking energy: -87.234
Base-Backbone interact. energy: 2.929
local terms energy: -127.211044
where:
bonds (distance) C4'-P energy: -25.893
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -28.591
flat angles P-C4'-P energy: -19.733
tors. eta vs tors. theta energy: -23.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -169.533670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.533670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.533670 (E_RNA)
where:
Base-Base interactions energy: -65.357
where: short stacking energy: -38.269
Base-Backbone interact. energy: -1.038
local terms energy: -103.138309
where:
bonds (distance) C4'-P energy: -29.498
bonds (distance) P-C4' energy: -34.534
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -151.537944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.537944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.537944 (E_RNA)
where:
Base-Base interactions energy: -42.025
where: short stacking energy: -36.211
Base-Backbone interact. energy: -1.378
local terms energy: -108.134348
where:
bonds (distance) C4'-P energy: -31.182
bonds (distance) P-C4' energy: -34.735
flat angles C4'-P-C4' energy: -34.187
flat angles P-C4'-P energy: -12.078
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: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -576.786486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.786486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.786486 (E_RNA)
where:
Base-Base interactions energy: -385.691
where: short stacking energy: -168.052
Base-Backbone interact. energy: -0.233
local terms energy: -190.862508
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -41.722
flat angles C4'-P-C4' energy: -38.081
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -52.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -547.132839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.132839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.132839 (E_RNA)
where:
Base-Base interactions energy: -368.231
where: short stacking energy: -151.903
Base-Backbone interact. energy: -0.418
local terms energy: -178.832706
where:
bonds (distance) C4'-P energy: -32.921
bonds (distance) P-C4' energy: -34.422
flat angles C4'-P-C4' energy: -38.442
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -44.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.349 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -522.277544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.277544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.277544 (E_RNA)
where:
Base-Base interactions energy: -357.884
where: short stacking energy: -148.476
Base-Backbone interact. energy: -0.699
local terms energy: -163.694326
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -36.280
flat angles C4'-P-C4' energy: -32.750
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -45.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -533.686972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.686972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.686972 (E_RNA)
where:
Base-Base interactions energy: -357.613
where: short stacking energy: -150.043
Base-Backbone interact. energy: -0.476
local terms energy: -175.597664
where:
bonds (distance) C4'-P energy: -35.708
bonds (distance) P-C4' energy: -35.051
flat angles C4'-P-C4' energy: -35.850
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -51.010
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: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -424.553742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.553742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.553742 (E_RNA)
where:
Base-Base interactions energy: -288.640
where: short stacking energy: -107.985
Base-Backbone interact. energy: -0.798
local terms energy: -135.300656
where:
bonds (distance) C4'-P energy: -28.910
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -32.729
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -27.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.185 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -371.454749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.454749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.454749 (E_RNA)
where:
Base-Base interactions energy: -259.311
where: short stacking energy: -111.254
Base-Backbone interact. energy: 0.083
local terms energy: -112.226646
where:
bonds (distance) C4'-P energy: -29.736
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -11.068
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: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -335.252897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.252897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.252897 (E_RNA)
where:
Base-Base interactions energy: -219.309
where: short stacking energy: -96.767
Base-Backbone interact. energy: -1.030
local terms energy: -114.914060
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -27.641
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -14.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -304.819765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.819765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.819765 (E_RNA)
where:
Base-Base interactions energy: -173.420
where: short stacking energy: -78.707
Base-Backbone interact. energy: -1.487
local terms energy: -129.912726
where:
bonds (distance) C4'-P energy: -32.826
bonds (distance) P-C4' energy: -33.624
flat angles C4'-P-C4' energy: -33.010
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -163.245943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.245943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.245943 (E_RNA)
where:
Base-Base interactions energy: -68.610
where: short stacking energy: -33.695
Base-Backbone interact. energy: -0.503
local terms energy: -94.132722
where:
bonds (distance) C4'-P energy: -31.187
bonds (distance) P-C4' energy: -34.465
flat angles C4'-P-C4' energy: -25.989
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: 6.916
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: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -161.763626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.763626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.763626 (E_RNA)
where:
Base-Base interactions energy: -62.525
where: short stacking energy: -56.980
Base-Backbone interact. energy: -1.379
local terms energy: -98.214282
where:
bonds (distance) C4'-P energy: -18.988
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -29.077
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: 2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.355 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -574.523986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.523986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.523986 (E_RNA)
where:
Base-Base interactions energy: -406.158
where: short stacking energy: -172.212
Base-Backbone interact. energy: 0.100
local terms energy: -168.466095
where:
bonds (distance) C4'-P energy: -34.540
bonds (distance) P-C4' energy: -38.825
flat angles C4'-P-C4' energy: -36.511
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -48.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -532.602873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.602873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.602873 (E_RNA)
where:
Base-Base interactions energy: -363.025
where: short stacking energy: -151.804
Base-Backbone interact. energy: -0.148
local terms energy: -169.430461
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -35.859
flat angles C4'-P-C4' energy: -33.220
flat angles P-C4'-P energy: -27.848
tors. eta vs tors. theta energy: -45.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -529.316488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.316488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.316488 (E_RNA)
where:
Base-Base interactions energy: -363.783
where: short stacking energy: -152.262
Base-Backbone interact. energy: -0.512
local terms energy: -165.022115
where:
bonds (distance) C4'-P energy: -36.718
bonds (distance) P-C4' energy: -33.574
flat angles C4'-P-C4' energy: -32.605
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -39.057
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: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -532.144843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.144843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.144843 (E_RNA)
where:
Base-Base interactions energy: -370.019
where: short stacking energy: -155.108
Base-Backbone interact. energy: -0.514
local terms energy: -161.612203
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -32.081
flat angles C4'-P-C4' energy: -30.047
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: -48.844
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: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -444.148436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.148436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.148436 (E_RNA)
where:
Base-Base interactions energy: -288.616
where: short stacking energy: -116.896
Base-Backbone interact. energy: 1.292
local terms energy: -156.823930
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -28.022
flat angles C4'-P-C4' energy: -34.822
flat angles P-C4'-P energy: -25.896
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -460.039737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.039737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.039737 (E_RNA)
where:
Base-Base interactions energy: -308.351
where: short stacking energy: -130.416
Base-Backbone interact. energy: 0.760
local terms energy: -153.210668
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -34.913
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -39.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.762 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -319.498330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.498330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.498330 (E_RNA)
where:
Base-Base interactions energy: -193.227
where: short stacking energy: -92.798
Base-Backbone interact. energy: -0.669
local terms energy: -125.602920
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -31.796
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -17.452
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: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -305.355202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.355202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.355202 (E_RNA)
where:
Base-Base interactions energy: -179.874
where: short stacking energy: -93.292
Base-Backbone interact. energy: -0.237
local terms energy: -125.244675
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -25.266
flat angles C4'-P-C4' energy: -33.989
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -158.095929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.095929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.095929 (E_RNA)
where:
Base-Base interactions energy: -53.611
where: short stacking energy: -49.499
Base-Backbone interact. energy: -1.024
local terms energy: -103.461011
where:
bonds (distance) C4'-P energy: -29.834
bonds (distance) P-C4' energy: -31.545
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -17.080
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: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -143.131300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.131300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.131300 (E_RNA)
where:
Base-Base interactions energy: -51.893
where: short stacking energy: -31.249
Base-Backbone interact. energy: -0.722
local terms energy: -90.516309
where:
bonds (distance) C4'-P energy: -29.973
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: 7.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -583.609656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.609656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.609656 (E_RNA)
where:
Base-Base interactions energy: -403.941
where: short stacking energy: -179.837
Base-Backbone interact. energy: -0.355
local terms energy: -179.313258
where:
bonds (distance) C4'-P energy: -31.513
bonds (distance) P-C4' energy: -32.731
flat angles C4'-P-C4' energy: -34.353
flat angles P-C4'-P energy: -28.773
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -547.803606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.803606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.803606 (E_RNA)
where:
Base-Base interactions energy: -386.027
where: short stacking energy: -156.477
Base-Backbone interact. energy: -0.564
local terms energy: -161.213304
where:
bonds (distance) C4'-P energy: -28.116
bonds (distance) P-C4' energy: -35.048
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -20.715
tors. eta vs tors. theta energy: -44.661
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: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -526.205776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.205776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.205776 (E_RNA)
where:
Base-Base interactions energy: -353.950
where: short stacking energy: -154.790
Base-Backbone interact. energy: -0.166
local terms energy: -172.090355
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -34.910
flat angles C4'-P-C4' energy: -36.617
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: -48.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -534.807660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.807660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.807660 (E_RNA)
where:
Base-Base interactions energy: -354.231
where: short stacking energy: -158.531
Base-Backbone interact. energy: -0.283
local terms energy: -180.293255
where:
bonds (distance) C4'-P energy: -31.034
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -33.617
flat angles P-C4'-P energy: -30.035
tors. eta vs tors. theta energy: -53.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -450.646931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.646931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.646931 (E_RNA)
where:
Base-Base interactions energy: -303.052
where: short stacking energy: -133.197
Base-Backbone interact. energy: -0.390
local terms energy: -147.204442
where:
bonds (distance) C4'-P energy: -27.614
bonds (distance) P-C4' energy: -39.123
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -34.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -364.365472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.365472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.365472 (E_RNA)
where:
Base-Base interactions energy: -224.624
where: short stacking energy: -112.805
Base-Backbone interact. energy: -1.253
local terms energy: -138.488379
where:
bonds (distance) C4'-P energy: -31.271
bonds (distance) P-C4' energy: -25.120
flat angles C4'-P-C4' energy: -34.378
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -427.331244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.331244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.331244 (E_RNA)
where:
Base-Base interactions energy: -294.975
where: short stacking energy: -114.607
Base-Backbone interact. energy: -1.206
local terms energy: -136.325020
where:
bonds (distance) C4'-P energy: -26.682
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -25.288
flat angles P-C4'-P energy: -26.292
tors. eta vs tors. theta energy: -32.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 5.175 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -299.098560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.098560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.098560 (E_RNA)
where:
Base-Base interactions energy: -176.536
where: short stacking energy: -83.063
Base-Backbone interact. energy: -0.519
local terms energy: -122.638730
where:
bonds (distance) C4'-P energy: -29.882
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.596 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -153.904255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.904255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.904255 (E_RNA)
where:
Base-Base interactions energy: -55.808
where: short stacking energy: -31.278
Base-Backbone interact. energy: -0.404
local terms energy: -97.692891
where:
bonds (distance) C4'-P energy: -28.104
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -2.325
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: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -153.693044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.693044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.693044 (E_RNA)
where:
Base-Base interactions energy: -47.069
where: short stacking energy: -37.998
Base-Backbone interact. energy: 0.460
local terms energy: -107.084800
where:
bonds (distance) C4'-P energy: -26.451
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -32.742
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: 1.464
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: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -577.020790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.020790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.020790 (E_RNA)
where:
Base-Base interactions energy: -392.127
where: short stacking energy: -163.548
Base-Backbone interact. energy: 0.520
local terms energy: -185.413911
where:
bonds (distance) C4'-P energy: -36.581
bonds (distance) P-C4' energy: -33.056
flat angles C4'-P-C4' energy: -37.961
flat angles P-C4'-P energy: -29.763
tors. eta vs tors. theta energy: -48.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -549.714808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.714808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.714808 (E_RNA)
where:
Base-Base interactions energy: -374.341
where: short stacking energy: -150.801
Base-Backbone interact. energy: 1.400
local terms energy: -176.773614
where:
bonds (distance) C4'-P energy: -37.739
bonds (distance) P-C4' energy: -38.774
flat angles C4'-P-C4' energy: -37.693
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -43.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -523.043747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.043747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.043747 (E_RNA)
where:
Base-Base interactions energy: -360.033
where: short stacking energy: -145.911
Base-Backbone interact. energy: -0.196
local terms energy: -163.180097
where:
bonds (distance) C4'-P energy: -30.583
bonds (distance) P-C4' energy: -31.824
flat angles C4'-P-C4' energy: -32.023
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -42.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.366 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -518.615084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.615084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.615084 (E_RNA)
where:
Base-Base interactions energy: -356.586
where: short stacking energy: -143.903
Base-Backbone interact. energy: 0.180
local terms energy: -162.209624
where:
bonds (distance) C4'-P energy: -29.004
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -34.256
flat angles P-C4'-P energy: -21.165
tors. eta vs tors. theta energy: -48.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -444.917473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.917473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.917473 (E_RNA)
where:
Base-Base interactions energy: -297.967
where: short stacking energy: -115.401
Base-Backbone interact. energy: -1.058
local terms energy: -145.892859
where:
bonds (distance) C4'-P energy: -32.585
bonds (distance) P-C4' energy: -29.007
flat angles C4'-P-C4' energy: -36.688
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -27.956
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: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -376.946106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.946106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.946106 (E_RNA)
where:
Base-Base interactions energy: -228.912
where: short stacking energy: -109.971
Base-Backbone interact. energy: -0.457
local terms energy: -147.577677
where:
bonds (distance) C4'-P energy: -30.627
bonds (distance) P-C4' energy: -30.063
flat angles C4'-P-C4' energy: -32.416
flat angles P-C4'-P energy: -23.768
tors. eta vs tors. theta energy: -30.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -441.517889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.517889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.517889 (E_RNA)
where:
Base-Base interactions energy: -295.139
where: short stacking energy: -127.096
Base-Backbone interact. energy: -0.547
local terms energy: -147.692212
where:
bonds (distance) C4'-P energy: -34.449
bonds (distance) P-C4' energy: -31.072
flat angles C4'-P-C4' energy: -31.986
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -36.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.861 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -306.069544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.069544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.069544 (E_RNA)
where:
Base-Base interactions energy: -185.177
where: short stacking energy: -79.827
Base-Backbone interact. energy: -1.098
local terms energy: -122.828949
where:
bonds (distance) C4'-P energy: -32.969
bonds (distance) P-C4' energy: -35.291
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.035 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -164.997034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.997034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.997034 (E_RNA)
where:
Base-Base interactions energy: -75.438
where: short stacking energy: -33.479
Base-Backbone interact. energy: 1.979
local terms energy: -91.538617
where:
bonds (distance) C4'-P energy: -30.454
bonds (distance) P-C4' energy: -30.741
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: 7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -144.152565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.152565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.152565 (E_RNA)
where:
Base-Base interactions energy: -43.316
where: short stacking energy: -40.250
Base-Backbone interact. energy: 0.940
local terms energy: -101.776217
where:
bonds (distance) C4'-P energy: -34.324
bonds (distance) P-C4' energy: -27.010
flat angles C4'-P-C4' energy: -30.031
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: 7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -578.805700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.805700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.805700 (E_RNA)
where:
Base-Base interactions energy: -396.024
where: short stacking energy: -171.285
Base-Backbone interact. energy: -0.256
local terms energy: -182.525901
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -36.443
flat angles C4'-P-C4' energy: -37.932
flat angles P-C4'-P energy: -27.764
tors. eta vs tors. theta energy: -51.533
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: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -523.834343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.834343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.834343 (E_RNA)
where:
Base-Base interactions energy: -357.827
where: short stacking energy: -142.704
Base-Backbone interact. energy: -0.987
local terms energy: -165.020195
where:
bonds (distance) C4'-P energy: -25.455
bonds (distance) P-C4' energy: -35.121
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -47.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -512.868074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.868074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.868074 (E_RNA)
where:
Base-Base interactions energy: -350.114
where: short stacking energy: -157.131
Base-Backbone interact. energy: -0.641
local terms energy: -162.112943
where:
bonds (distance) C4'-P energy: -26.708
bonds (distance) P-C4' energy: -34.601
flat angles C4'-P-C4' energy: -38.593
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -42.310
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: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -423.249286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.249286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.249286 (E_RNA)
where:
Base-Base interactions energy: -277.201
where: short stacking energy: -117.422
Base-Backbone interact. energy: -0.289
local terms energy: -145.758945
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -35.487
flat angles C4'-P-C4' energy: -35.941
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -28.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -529.323664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.323664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.323664 (E_RNA)
where:
Base-Base interactions energy: -354.299
where: short stacking energy: -165.114
Base-Backbone interact. energy: -0.483
local terms energy: -174.540932
where:
bonds (distance) C4'-P energy: -31.939
bonds (distance) P-C4' energy: -37.608
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -53.460
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: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -456.964458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.964458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.964458 (E_RNA)
where:
Base-Base interactions energy: -307.458
where: short stacking energy: -143.875
Base-Backbone interact. energy: -0.270
local terms energy: -149.742850
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -30.605
flat angles C4'-P-C4' energy: -37.720
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -39.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.506 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -365.090710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.090710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.090710 (E_RNA)
where:
Base-Base interactions energy: -229.387
where: short stacking energy: -115.663
Base-Backbone interact. energy: 0.123
local terms energy: -135.826950
where:
bonds (distance) C4'-P energy: -26.566
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -27.778
flat angles P-C4'-P energy: -22.088
tors. eta vs tors. theta energy: -32.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -298.732193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.732193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.732193 (E_RNA)
where:
Base-Base interactions energy: -174.569
where: short stacking energy: -83.806
Base-Backbone interact. energy: 0.754
local terms energy: -124.917712
where:
bonds (distance) C4'-P energy: -28.534
bonds (distance) P-C4' energy: -28.524
flat angles C4'-P-C4' energy: -31.853
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -150.155940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.155940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.155940 (E_RNA)
where:
Base-Base interactions energy: -52.038
where: short stacking energy: -44.092
Base-Backbone interact. energy: 0.644
local terms energy: -99.532178
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: 4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.770 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -160.457713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.457713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.457713 (E_RNA)
where:
Base-Base interactions energy: -75.149
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.889
local terms energy: -85.389765
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -32.037
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -20.235
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: 0.970 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -566.656474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.656474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.656474 (E_RNA)
where:
Base-Base interactions energy: -389.086
where: short stacking energy: -169.960
Base-Backbone interact. energy: -1.503
local terms energy: -176.066885
where:
bonds (distance) C4'-P energy: -31.211
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -37.360
flat angles P-C4'-P energy: -24.850
tors. eta vs tors. theta energy: -52.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -537.113598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.113598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.113598 (E_RNA)
where:
Base-Base interactions energy: -359.592
where: short stacking energy: -153.953
Base-Backbone interact. energy: -0.932
local terms energy: -176.589258
where:
bonds (distance) C4'-P energy: -34.015
bonds (distance) P-C4' energy: -36.390
flat angles C4'-P-C4' energy: -39.822
flat angles P-C4'-P energy: -19.301
tors. eta vs tors. theta energy: -47.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -505.816805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.816805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.816805 (E_RNA)
where:
Base-Base interactions energy: -346.773
where: short stacking energy: -137.638
Base-Backbone interact. energy: -0.923
local terms energy: -158.121159
where:
bonds (distance) C4'-P energy: -29.626
bonds (distance) P-C4' energy: -33.086
flat angles C4'-P-C4' energy: -29.235
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -43.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -445.753222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.753222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.753222 (E_RNA)
where:
Base-Base interactions energy: -294.227
where: short stacking energy: -121.433
Base-Backbone interact. energy: -0.726
local terms energy: -150.800627
where:
bonds (distance) C4'-P energy: -31.339
bonds (distance) P-C4' energy: -36.149
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -26.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -506.827933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.827933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.827933 (E_RNA)
where:
Base-Base interactions energy: -339.325
where: short stacking energy: -144.790
Base-Backbone interact. energy: 0.214
local terms energy: -167.717290
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -35.461
flat angles P-C4'-P energy: -28.935
tors. eta vs tors. theta energy: -42.661
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: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -486.056663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.056663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.056663 (E_RNA)
where:
Base-Base interactions energy: -333.438
where: short stacking energy: -151.080
Base-Backbone interact. energy: 5.843
local terms energy: -158.461063
where:
bonds (distance) C4'-P energy: -28.620
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -33.609
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -43.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -340.416060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.416060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.416060 (E_RNA)
where:
Base-Base interactions energy: -211.703
where: short stacking energy: -106.775
Base-Backbone interact. energy: 2.860
local terms energy: -131.572868
where:
bonds (distance) C4'-P energy: -29.690
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -30.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -302.370855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.370855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.370855 (E_RNA)
where:
Base-Base interactions energy: -183.924
where: short stacking energy: -94.152
Base-Backbone interact. energy: -0.217
local terms energy: -119.171211
where:
bonds (distance) C4'-P energy: -24.262
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -30.149
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.941 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -271.442942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.442942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.442942 (E_RNA)
where:
Base-Base interactions energy: -159.310
where: short stacking energy: -78.855
Base-Backbone interact. energy: -0.241
local terms energy: -111.892143
where:
bonds (distance) C4'-P energy: -29.183
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -14.848
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: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -179.863217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.863217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.863217 (E_RNA)
where:
Base-Base interactions energy: -74.121
where: short stacking energy: -58.684
Base-Backbone interact. energy: -0.495
local terms energy: -105.246832
where:
bonds (distance) C4'-P energy: -30.516
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -567.020474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.020474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.020474 (E_RNA)
where:
Base-Base interactions energy: -392.891
where: short stacking energy: -166.375
Base-Backbone interact. energy: -0.993
local terms energy: -173.137119
where:
bonds (distance) C4'-P energy: -36.954
bonds (distance) P-C4' energy: -32.223
flat angles C4'-P-C4' energy: -37.308
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -42.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -547.419230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.419230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.419230 (E_RNA)
where:
Base-Base interactions energy: -378.371
where: short stacking energy: -142.472
Base-Backbone interact. energy: -0.972
local terms energy: -168.076858
where:
bonds (distance) C4'-P energy: -29.734
bonds (distance) P-C4' energy: -38.863
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -42.882
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: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -510.654215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.654215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.654215 (E_RNA)
where:
Base-Base interactions energy: -335.741
where: short stacking energy: -146.702
Base-Backbone interact. energy: 0.569
local terms energy: -175.481878
where:
bonds (distance) C4'-P energy: -35.667
bonds (distance) P-C4' energy: -37.902
flat angles C4'-P-C4' energy: -35.127
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -43.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -518.523516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.523516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.523516 (E_RNA)
where:
Base-Base interactions energy: -349.283
where: short stacking energy: -161.354
Base-Backbone interact. energy: 2.822
local terms energy: -172.062306
where:
bonds (distance) C4'-P energy: -33.179
bonds (distance) P-C4' energy: -33.457
flat angles C4'-P-C4' energy: -36.738
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -45.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -437.365834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.365834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.365834 (E_RNA)
where:
Base-Base interactions energy: -285.045
where: short stacking energy: -134.173
Base-Backbone interact. energy: 0.661
local terms energy: -152.981364
where:
bonds (distance) C4'-P energy: -30.289
bonds (distance) P-C4' energy: -40.523
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -33.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -465.169099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.169099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.169099 (E_RNA)
where:
Base-Base interactions energy: -315.520
where: short stacking energy: -137.127
Base-Backbone interact. energy: -0.143
local terms energy: -149.505997
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -30.216
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: -40.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -319.133371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.133371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.133371 (E_RNA)
where:
Base-Base interactions energy: -183.372
where: short stacking energy: -100.865
Base-Backbone interact. energy: -0.330
local terms energy: -135.431927
where:
bonds (distance) C4'-P energy: -30.413
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -30.264
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -26.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -277.870967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.870967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.870967 (E_RNA)
where:
Base-Base interactions energy: -156.034
where: short stacking energy: -62.684
Base-Backbone interact. energy: -1.218
local terms energy: -120.618790
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -34.857
flat angles C4'-P-C4' energy: -25.763
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -8.828
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: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -300.161296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.161296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.161296 (E_RNA)
where:
Base-Base interactions energy: -179.945
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.405
local terms energy: -119.811410
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -140.393537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.393537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.393537 (E_RNA)
where:
Base-Base interactions energy: -46.065
where: short stacking energy: -43.996
Base-Backbone interact. energy: 0.595
local terms energy: -94.923869
where:
bonds (distance) C4'-P energy: -31.011
bonds (distance) P-C4' energy: -34.171
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: 6.197
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: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -562.712313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.712313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.712313 (E_RNA)
where:
Base-Base interactions energy: -389.459
where: short stacking energy: -166.758
Base-Backbone interact. energy: -0.216
local terms energy: -173.037203
where:
bonds (distance) C4'-P energy: -31.259
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -39.414
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: -43.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -559.950366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.950366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.950366 (E_RNA)
where:
Base-Base interactions energy: -391.866
where: short stacking energy: -162.104
Base-Backbone interact. energy: -1.178
local terms energy: -166.906123
where:
bonds (distance) C4'-P energy: -33.883
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -37.486
flat angles P-C4'-P energy: -24.084
tors. eta vs tors. theta energy: -49.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -515.422555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.422555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.422555 (E_RNA)
where:
Base-Base interactions energy: -341.696
where: short stacking energy: -166.201
Base-Backbone interact. energy: 1.444
local terms energy: -175.170163
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -33.199
flat angles C4'-P-C4' energy: -34.377
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -50.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -499.833529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.833529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.833529 (E_RNA)
where:
Base-Base interactions energy: -327.503
where: short stacking energy: -154.200
Base-Backbone interact. energy: -0.624
local terms energy: -171.706443
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -32.104
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -45.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -496.351387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.351387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.351387 (E_RNA)
where:
Base-Base interactions energy: -340.629
where: short stacking energy: -140.089
Base-Backbone interact. energy: -0.286
local terms energy: -155.435967
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -29.729
flat angles C4'-P-C4' energy: -37.361
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -41.159
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: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -433.097789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.097789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.097789 (E_RNA)
where:
Base-Base interactions energy: -283.432
where: short stacking energy: -107.981
Base-Backbone interact. energy: -0.454
local terms energy: -149.211424
where:
bonds (distance) C4'-P energy: -33.909
bonds (distance) P-C4' energy: -29.592
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -34.643
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: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -337.114594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.114594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.114594 (E_RNA)
where:
Base-Base interactions energy: -204.679
where: short stacking energy: -103.552
Base-Backbone interact. energy: -0.950
local terms energy: -131.485490
where:
bonds (distance) C4'-P energy: -26.732
bonds (distance) P-C4' energy: -39.490
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -24.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -306.613479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.613479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.613479 (E_RNA)
where:
Base-Base interactions energy: -174.874
where: short stacking energy: -85.752
Base-Backbone interact. energy: -0.270
local terms energy: -131.469412
where:
bonds (distance) C4'-P energy: -25.964
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -29.727
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -278.951504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.951504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.951504 (E_RNA)
where:
Base-Base interactions energy: -164.000
where: short stacking energy: -84.804
Base-Backbone interact. energy: -0.107
local terms energy: -114.844250
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -36.480
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -19.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -160.834425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.834425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.834425 (E_RNA)
where:
Base-Base interactions energy: -59.032
where: short stacking energy: -54.821
Base-Backbone interact. energy: -0.729
local terms energy: -101.072726
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -27.521
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: 2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -568.742003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.742003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.742003 (E_RNA)
where:
Base-Base interactions energy: -395.754
where: short stacking energy: -158.471
Base-Backbone interact. energy: -0.383
local terms energy: -172.604157
where:
bonds (distance) C4'-P energy: -33.680
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -26.252
tors. eta vs tors. theta energy: -49.747
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: 2, replica: 10
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -557.369293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.369293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.369293 (E_RNA)
where:
Base-Base interactions energy: -385.316
where: short stacking energy: -158.060
Base-Backbone interact. energy: -0.355
local terms energy: -171.697913
where:
bonds (distance) C4'-P energy: -31.624
bonds (distance) P-C4' energy: -28.871
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -28.219
tors. eta vs tors. theta energy: -44.252
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: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -522.464175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.464175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.464175 (E_RNA)
where:
Base-Base interactions energy: -343.721
where: short stacking energy: -145.722
Base-Backbone interact. energy: -0.226
local terms energy: -180.853824
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -34.597
flat angles C4'-P-C4' energy: -39.301
flat angles P-C4'-P energy: -22.720
tors. eta vs tors. theta energy: -48.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.336 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -497.639948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.639948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.639948 (E_RNA)
where:
Base-Base interactions energy: -335.573
where: short stacking energy: -142.181
Base-Backbone interact. energy: -0.108
local terms energy: -161.959582
where:
bonds (distance) C4'-P energy: -30.171
bonds (distance) P-C4' energy: -30.701
flat angles C4'-P-C4' energy: -31.660
flat angles P-C4'-P energy: -24.343
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: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -494.734923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.734923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.734923 (E_RNA)
where:
Base-Base interactions energy: -336.943
where: short stacking energy: -139.225
Base-Backbone interact. energy: -0.563
local terms energy: -157.228289
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -35.377
flat angles C4'-P-C4' energy: -31.928
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: -40.823
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: 193
Temperature: 1.150000
Total energy: -423.004135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.004135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.004135 (E_RNA)
where:
Base-Base interactions energy: -274.366
where: short stacking energy: -116.594
Base-Backbone interact. energy: -0.219
local terms energy: -151.242940
where:
bonds (distance) C4'-P energy: -32.310
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -35.482
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -25.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.824 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -329.988584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.988584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.988584 (E_RNA)
where:
Base-Base interactions energy: -197.376
where: short stacking energy: -97.227
Base-Backbone interact. energy: -0.380
local terms energy: -132.232019
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -37.345
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -297.927180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.927180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.927180 (E_RNA)
where:
Base-Base interactions energy: -171.584
where: short stacking energy: -76.871
Base-Backbone interact. energy: -0.271
local terms energy: -126.072772
where:
bonds (distance) C4'-P energy: -31.640
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -29.076
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -313.022273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.022273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.022273 (E_RNA)
where:
Base-Base interactions energy: -185.523
where: short stacking energy: -86.240
Base-Backbone interact. energy: -0.301
local terms energy: -127.198582
where:
bonds (distance) C4'-P energy: -25.511
bonds (distance) P-C4' energy: -31.254
flat angles C4'-P-C4' energy: -26.892
flat angles P-C4'-P energy: -17.552
tors. eta vs tors. theta energy: -25.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -150.479835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.479835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.479835 (E_RNA)
where:
Base-Base interactions energy: -58.752
where: short stacking energy: -43.634
Base-Backbone interact. energy: -1.049
local terms energy: -90.678724
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: 6.442
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: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -568.191950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.191950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.191950 (E_RNA)
where:
Base-Base interactions energy: -388.171
where: short stacking energy: -171.732
Base-Backbone interact. energy: 0.294
local terms energy: -180.314562
where:
bonds (distance) C4'-P energy: -33.795
bonds (distance) P-C4' energy: -37.500
flat angles C4'-P-C4' energy: -34.486
flat angles P-C4'-P energy: -23.306
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: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -545.340171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.340171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.340171 (E_RNA)
where:
Base-Base interactions energy: -378.321
where: short stacking energy: -154.454
Base-Backbone interact. energy: -0.089
local terms energy: -166.930047
where:
bonds (distance) C4'-P energy: -32.586
bonds (distance) P-C4' energy: -30.236
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -29.045
tors. eta vs tors. theta energy: -42.517
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: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -509.440817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.440817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.440817 (E_RNA)
where:
Base-Base interactions energy: -342.889
where: short stacking energy: -145.815
Base-Backbone interact. energy: -0.013
local terms energy: -166.538059
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -38.273
flat angles P-C4'-P energy: -18.922
tors. eta vs tors. theta energy: -41.894
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: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -508.612245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.612245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.612245 (E_RNA)
where:
Base-Base interactions energy: -337.669
where: short stacking energy: -146.893
Base-Backbone interact. energy: -0.459
local terms energy: -170.484618
where:
bonds (distance) C4'-P energy: -31.903
bonds (distance) P-C4' energy: -26.200
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -28.327
tors. eta vs tors. theta energy: -48.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -482.656608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.656608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.656608 (E_RNA)
where:
Base-Base interactions energy: -316.727
where: short stacking energy: -133.271
Base-Backbone interact. energy: 0.542
local terms energy: -166.471430
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -33.295
flat angles C4'-P-C4' energy: -37.187
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -43.707
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: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -420.547400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.547400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.547400 (E_RNA)
where:
Base-Base interactions energy: -274.087
where: short stacking energy: -119.949
Base-Backbone interact. energy: -0.247
local terms energy: -146.336348
where:
bonds (distance) C4'-P energy: -33.969
bonds (distance) P-C4' energy: -30.335
flat angles C4'-P-C4' energy: -33.547
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -28.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.123 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -339.907535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.907535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.907535 (E_RNA)
where:
Base-Base interactions energy: -203.201
where: short stacking energy: -103.023
Base-Backbone interact. energy: -0.359
local terms energy: -136.346763
where:
bonds (distance) C4'-P energy: -33.279
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -26.863
tors. eta vs tors. theta energy: -22.009
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: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -297.658703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.658703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.658703 (E_RNA)
where:
Base-Base interactions energy: -171.793
where: short stacking energy: -88.564
Base-Backbone interact. energy: 0.308
local terms energy: -126.173714
where:
bonds (distance) C4'-P energy: -34.155
bonds (distance) P-C4' energy: -33.670
flat angles C4'-P-C4' energy: -24.371
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -314.538657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.538657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.538657 (E_RNA)
where:
Base-Base interactions energy: -179.743
where: short stacking energy: -91.575
Base-Backbone interact. energy: -0.495
local terms energy: -134.300903
where:
bonds (distance) C4'-P energy: -31.458
bonds (distance) P-C4' energy: -35.256
flat angles C4'-P-C4' energy: -31.267
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -142.822394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.822394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.822394 (E_RNA)
where:
Base-Base interactions energy: -57.881
where: short stacking energy: -32.017
Base-Backbone interact. energy: -1.159
local terms energy: -83.781784
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -29.267
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: 9.019
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: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -561.515582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.515582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.515582 (E_RNA)
where:
Base-Base interactions energy: -379.292
where: short stacking energy: -166.779
Base-Backbone interact. energy: -0.849
local terms energy: -181.374807
where:
bonds (distance) C4'-P energy: -33.464
bonds (distance) P-C4' energy: -33.482
flat angles C4'-P-C4' energy: -36.047
flat angles P-C4'-P energy: -24.619
tors. eta vs tors. theta energy: -53.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -539.227233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.227233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.227233 (E_RNA)
where:
Base-Base interactions energy: -374.058
where: short stacking energy: -155.618
Base-Backbone interact. energy: -0.304
local terms energy: -164.865814
where:
bonds (distance) C4'-P energy: -35.949
bonds (distance) P-C4' energy: -30.655
flat angles C4'-P-C4' energy: -34.845
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -41.770
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: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -516.801331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.801331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.801331 (E_RNA)
where:
Base-Base interactions energy: -355.766
where: short stacking energy: -157.818
Base-Backbone interact. energy: -0.505
local terms energy: -160.530755
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -29.254
flat angles C4'-P-C4' energy: -33.783
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -42.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -528.748514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.748514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.748514 (E_RNA)
where:
Base-Base interactions energy: -342.294
where: short stacking energy: -155.337
Base-Backbone interact. energy: 2.294
local terms energy: -190.474727
where:
bonds (distance) C4'-P energy: -36.756
bonds (distance) P-C4' energy: -38.978
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -27.924
tors. eta vs tors. theta energy: -50.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.726 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -491.018033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.018033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.018033 (E_RNA)
where:
Base-Base interactions energy: -328.924
where: short stacking energy: -151.107
Base-Backbone interact. energy: -0.161
local terms energy: -161.933647
where:
bonds (distance) C4'-P energy: -29.607
bonds (distance) P-C4' energy: -33.747
flat angles C4'-P-C4' energy: -30.617
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -46.024
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: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -428.391314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.391314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.391314 (E_RNA)
where:
Base-Base interactions energy: -288.745
where: short stacking energy: -119.415
Base-Backbone interact. energy: -0.629
local terms energy: -139.465537
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -30.723
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -31.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.448 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -310.988163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.988163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.988163 (E_RNA)
where:
Base-Base interactions energy: -188.424
where: short stacking energy: -87.920
Base-Backbone interact. energy: -0.621
local terms energy: -121.943630
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -22.164
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -24.967
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: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -316.834428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.834428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.834428 (E_RNA)
where:
Base-Base interactions energy: -179.423
where: short stacking energy: -85.155
Base-Backbone interact. energy: 2.036
local terms energy: -139.447902
where:
bonds (distance) C4'-P energy: -32.057
bonds (distance) P-C4' energy: -35.054
flat angles C4'-P-C4' energy: -34.740
flat angles P-C4'-P energy: -24.665
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -276.361581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.361581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.361581 (E_RNA)
where:
Base-Base interactions energy: -170.400
where: short stacking energy: -85.779
Base-Backbone interact. energy: -0.356
local terms energy: -105.605732
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -28.183
flat angles C4'-P-C4' energy: -33.264
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -156.972936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.972936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.972936 (E_RNA)
where:
Base-Base interactions energy: -61.958
where: short stacking energy: -36.998
Base-Backbone interact. energy: -0.614
local terms energy: -94.400869
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -35.363
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -14.677
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: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -567.251859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.251859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.251859 (E_RNA)
where:
Base-Base interactions energy: -401.605
where: short stacking energy: -164.153
Base-Backbone interact. energy: -0.737
local terms energy: -164.910124
where:
bonds (distance) C4'-P energy: -33.369
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -36.658
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -47.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -527.436614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.436614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.436614 (E_RNA)
where:
Base-Base interactions energy: -369.511
where: short stacking energy: -147.709
Base-Backbone interact. energy: 2.755
local terms energy: -160.680632
where:
bonds (distance) C4'-P energy: -31.729
bonds (distance) P-C4' energy: -29.211
flat angles C4'-P-C4' energy: -39.388
flat angles P-C4'-P energy: -24.243
tors. eta vs tors. theta energy: -36.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -542.850441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.850441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.850441 (E_RNA)
where:
Base-Base interactions energy: -360.233
where: short stacking energy: -151.187
Base-Backbone interact. energy: -0.510
local terms energy: -183.925248
where:
bonds (distance) C4'-P energy: -37.462
bonds (distance) P-C4' energy: -33.473
flat angles C4'-P-C4' energy: -37.254
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -49.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.818 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -510.126601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.126601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.126601 (E_RNA)
where:
Base-Base interactions energy: -334.985
where: short stacking energy: -147.003
Base-Backbone interact. energy: -0.314
local terms energy: -174.828084
where:
bonds (distance) C4'-P energy: -33.588
bonds (distance) P-C4' energy: -31.138
flat angles C4'-P-C4' energy: -39.135
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: -45.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -488.906192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.906192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.906192 (E_RNA)
where:
Base-Base interactions energy: -329.404
where: short stacking energy: -140.533
Base-Backbone interact. energy: 1.003
local terms energy: -161.692721
where:
bonds (distance) C4'-P energy: -29.936
bonds (distance) P-C4' energy: -33.264
flat angles C4'-P-C4' energy: -35.955
flat angles P-C4'-P energy: -26.073
tors. eta vs tors. theta energy: -36.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.188 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -442.309896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.309896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.309896 (E_RNA)
where:
Base-Base interactions energy: -297.491
where: short stacking energy: -127.213
Base-Backbone interact. energy: -0.241
local terms energy: -145.098025
where:
bonds (distance) C4'-P energy: -27.239
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -28.672
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: -33.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.520 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -322.628972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.628972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.628972 (E_RNA)
where:
Base-Base interactions energy: -201.865
where: short stacking energy: -83.381
Base-Backbone interact. energy: 2.611
local terms energy: -123.374339
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -32.735
flat angles C4'-P-C4' energy: -25.171
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -290.478665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.478665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.478665 (E_RNA)
where:
Base-Base interactions energy: -179.632
where: short stacking energy: -91.449
Base-Backbone interact. energy: -0.262
local terms energy: -110.584441
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -29.821
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -287.518146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.518146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.518146 (E_RNA)
where:
Base-Base interactions energy: -158.627
where: short stacking energy: -79.492
Base-Backbone interact. energy: 2.486
local terms energy: -131.377140
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -36.743
flat angles C4'-P-C4' energy: -26.115
flat angles P-C4'-P energy: -23.786
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -152.617960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.617960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.617960 (E_RNA)
where:
Base-Base interactions energy: -59.691
where: short stacking energy: -43.238
Base-Backbone interact. energy: -1.696
local terms energy: -91.266465
where:
bonds (distance) C4'-P energy: -36.032
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: 4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.035 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -560.489824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.489824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.489824 (E_RNA)
where:
Base-Base interactions energy: -393.959
where: short stacking energy: -166.660
Base-Backbone interact. energy: -0.700
local terms energy: -165.831280
where:
bonds (distance) C4'-P energy: -30.290
bonds (distance) P-C4' energy: -33.269
flat angles C4'-P-C4' energy: -35.098
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -43.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -554.451524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.451524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.451524 (E_RNA)
where:
Base-Base interactions energy: -387.877
where: short stacking energy: -150.571
Base-Backbone interact. energy: 0.248
local terms energy: -166.822051
where:
bonds (distance) C4'-P energy: -32.471
bonds (distance) P-C4' energy: -31.167
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -46.429
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: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -541.593572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.593572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.593572 (E_RNA)
where:
Base-Base interactions energy: -361.456
where: short stacking energy: -164.658
Base-Backbone interact. energy: 0.323
local terms energy: -180.460164
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -36.758
flat angles C4'-P-C4' energy: -41.336
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -50.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -526.337132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.337132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.337132 (E_RNA)
where:
Base-Base interactions energy: -353.234
where: short stacking energy: -155.100
Base-Backbone interact. energy: -1.116
local terms energy: -172.375866
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -28.711
tors. eta vs tors. theta energy: -46.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.389 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -492.994941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.994941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.994941 (E_RNA)
where:
Base-Base interactions energy: -325.099
where: short stacking energy: -134.682
Base-Backbone interact. energy: -0.379
local terms energy: -168.301877
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -31.694
flat angles C4'-P-C4' energy: -34.974
flat angles P-C4'-P energy: -24.659
tors. eta vs tors. theta energy: -47.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.785 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -420.452869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.452869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.452869 (E_RNA)
where:
Base-Base interactions energy: -287.735
where: short stacking energy: -116.648
Base-Backbone interact. energy: -0.676
local terms energy: -134.283118
where:
bonds (distance) C4'-P energy: -27.450
bonds (distance) P-C4' energy: -33.544
flat angles C4'-P-C4' energy: -30.145
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.241 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -351.990784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.990784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.990784 (E_RNA)
where:
Base-Base interactions energy: -235.207
where: short stacking energy: -88.530
Base-Backbone interact. energy: 0.038
local terms energy: -116.821886
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -28.390
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -17.461
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: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -314.868709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.868709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.868709 (E_RNA)
where:
Base-Base interactions energy: -185.593
where: short stacking energy: -80.399
Base-Backbone interact. energy: -0.109
local terms energy: -129.167026
where:
bonds (distance) C4'-P energy: -36.262
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -33.726
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -293.598812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.598812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.598812 (E_RNA)
where:
Base-Base interactions energy: -174.400
where: short stacking energy: -80.747
Base-Backbone interact. energy: 0.419
local terms energy: -119.618435
where:
bonds (distance) C4'-P energy: -34.176
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -18.104
tors. eta vs tors. theta energy: -12.182
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: 197
Temperature: 1.350000
Total energy: -162.791622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.791622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.791622 (E_RNA)
where:
Base-Base interactions energy: -56.521
where: short stacking energy: -56.722
Base-Backbone interact. energy: -0.480
local terms energy: -105.791357
where:
bonds (distance) C4'-P energy: -26.457
bonds (distance) P-C4' energy: -29.856
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -19.201
tors. eta vs tors. theta energy: -8.939
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: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -566.470481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.470481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.470481 (E_RNA)
where:
Base-Base interactions energy: -386.316
where: short stacking energy: -165.910
Base-Backbone interact. energy: -0.130
local terms energy: -180.024115
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -36.949
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -21.489
tors. eta vs tors. theta energy: -47.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -546.002543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.002543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.002543 (E_RNA)
where:
Base-Base interactions energy: -369.807
where: short stacking energy: -150.200
Base-Backbone interact. energy: -0.527
local terms energy: -175.669181
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -34.580
flat angles C4'-P-C4' energy: -36.604
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -45.690
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: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -546.391388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.391388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.391388 (E_RNA)
where:
Base-Base interactions energy: -372.096
where: short stacking energy: -168.080
Base-Backbone interact. energy: 1.679
local terms energy: -175.974408
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -36.454
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -51.936
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: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -527.921363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.921363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.921363 (E_RNA)
where:
Base-Base interactions energy: -346.379
where: short stacking energy: -142.099
Base-Backbone interact. energy: -0.433
local terms energy: -181.109430
where:
bonds (distance) C4'-P energy: -38.238
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -31.377
flat angles P-C4'-P energy: -27.714
tors. eta vs tors. theta energy: -48.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -510.792942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.792942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.792942 (E_RNA)
where:
Base-Base interactions energy: -347.708
where: short stacking energy: -143.102
Base-Backbone interact. energy: -0.635
local terms energy: -162.449976
where:
bonds (distance) C4'-P energy: -33.467
bonds (distance) P-C4' energy: -30.355
flat angles C4'-P-C4' energy: -35.107
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -41.925
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: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -423.939491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.939491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.939491 (E_RNA)
where:
Base-Base interactions energy: -274.718
where: short stacking energy: -122.651
Base-Backbone interact. energy: -1.014
local terms energy: -148.207742
where:
bonds (distance) C4'-P energy: -29.253
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -35.408
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -37.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -341.640452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.640452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.640452 (E_RNA)
where:
Base-Base interactions energy: -202.749
where: short stacking energy: -82.482
Base-Backbone interact. energy: 1.940
local terms energy: -140.831756
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -35.963
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -24.345
tors. eta vs tors. theta energy: -25.774
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: 198
Temperature: 1.250000
Total energy: -296.332862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.332862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.332862 (E_RNA)
where:
Base-Base interactions energy: -168.401
where: short stacking energy: -70.797
Base-Backbone interact. energy: -1.681
local terms energy: -126.250495
where:
bonds (distance) C4'-P energy: -28.463
bonds (distance) P-C4' energy: -27.622
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -28.884
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -336.209926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.209926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.209926 (E_RNA)
where:
Base-Base interactions energy: -206.334
where: short stacking energy: -90.433
Base-Backbone interact. energy: 0.140
local terms energy: -130.016273
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -33.956
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -27.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -149.810600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.810600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.810600 (E_RNA)
where:
Base-Base interactions energy: -53.284
where: short stacking energy: -41.990
Base-Backbone interact. energy: -0.336
local terms energy: -96.817532
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -32.656
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: 4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.627 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -570.354985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.354985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.354985 (E_RNA)
where:
Base-Base interactions energy: -399.903
where: short stacking energy: -160.617
Base-Backbone interact. energy: -0.280
local terms energy: -170.172161
where:
bonds (distance) C4'-P energy: -31.143
bonds (distance) P-C4' energy: -36.214
flat angles C4'-P-C4' energy: -39.758
flat angles P-C4'-P energy: -17.691
tors. eta vs tors. theta energy: -45.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -555.157041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.157041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.157041 (E_RNA)
where:
Base-Base interactions energy: -368.617
where: short stacking energy: -160.506
Base-Backbone interact. energy: -1.172
local terms energy: -185.367658
where:
bonds (distance) C4'-P energy: -35.228
bonds (distance) P-C4' energy: -36.599
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -25.335
tors. eta vs tors. theta energy: -54.143
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: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -559.954312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.954312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.954312 (E_RNA)
where:
Base-Base interactions energy: -396.478
where: short stacking energy: -165.880
Base-Backbone interact. energy: -0.413
local terms energy: -163.063575
where:
bonds (distance) C4'-P energy: -34.395
bonds (distance) P-C4' energy: -29.662
flat angles C4'-P-C4' energy: -28.455
flat angles P-C4'-P energy: -24.588
tors. eta vs tors. theta energy: -45.963
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: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -509.496311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.496311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.496311 (E_RNA)
where:
Base-Base interactions energy: -360.754
where: short stacking energy: -147.479
Base-Backbone interact. energy: -0.298
local terms energy: -148.768567
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -34.020
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -46.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.324 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -483.703941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.703941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.703941 (E_RNA)
where:
Base-Base interactions energy: -315.135
where: short stacking energy: -133.379
Base-Backbone interact. energy: -0.629
local terms energy: -169.585045
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -32.919
flat angles C4'-P-C4' energy: -37.214
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -40.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.645 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -429.021945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.021945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.021945 (E_RNA)
where:
Base-Base interactions energy: -286.777
where: short stacking energy: -126.078
Base-Backbone interact. energy: -0.165
local terms energy: -142.080307
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -34.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -347.386377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.386377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.386377 (E_RNA)
where:
Base-Base interactions energy: -218.257
where: short stacking energy: -102.937
Base-Backbone interact. energy: 0.251
local terms energy: -129.380306
where:
bonds (distance) C4'-P energy: -31.275
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -28.913
flat angles P-C4'-P energy: -21.205
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -294.337710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.337710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.337710 (E_RNA)
where:
Base-Base interactions energy: -186.681
where: short stacking energy: -80.271
Base-Backbone interact. energy: -0.793
local terms energy: -106.863329
where:
bonds (distance) C4'-P energy: -21.025
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -28.939
flat angles P-C4'-P energy: -12.260
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: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -310.041818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.041818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.041818 (E_RNA)
where:
Base-Base interactions energy: -186.109
where: short stacking energy: -87.604
Base-Backbone interact. energy: 0.435
local terms energy: -124.367413
where:
bonds (distance) C4'-P energy: -28.930
bonds (distance) P-C4' energy: -32.794
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -25.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -154.567963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.567963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.567963 (E_RNA)
where:
Base-Base interactions energy: -46.048
where: short stacking energy: -42.073
Base-Backbone interact. energy: -1.697
local terms energy: -106.822572
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -34.134
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -16.700
tors. eta vs tors. theta energy: -4.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -566.107915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.107915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.107915 (E_RNA)
where:
Base-Base interactions energy: -380.995
where: short stacking energy: -177.440
Base-Backbone interact. energy: -0.772
local terms energy: -184.341224
where:
bonds (distance) C4'-P energy: -31.381
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -33.819
flat angles P-C4'-P energy: -24.031
tors. eta vs tors. theta energy: -55.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -551.518223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.518223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.518223 (E_RNA)
where:
Base-Base interactions energy: -369.783
where: short stacking energy: -156.318
Base-Backbone interact. energy: -0.273
local terms energy: -181.462186
where:
bonds (distance) C4'-P energy: -36.134
bonds (distance) P-C4' energy: -39.249
flat angles C4'-P-C4' energy: -38.766
flat angles P-C4'-P energy: -20.892
tors. eta vs tors. theta energy: -46.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -552.897854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.897854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.897854 (E_RNA)
where:
Base-Base interactions energy: -384.208
where: short stacking energy: -172.684
Base-Backbone interact. energy: -0.401
local terms energy: -168.288822
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -48.318
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: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -492.425832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.425832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.425832 (E_RNA)
where:
Base-Base interactions energy: -324.927
where: short stacking energy: -137.997
Base-Backbone interact. energy: 0.082
local terms energy: -167.580256
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -26.330
tors. eta vs tors. theta energy: -44.125
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: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -487.644020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.644020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.644020 (E_RNA)
where:
Base-Base interactions energy: -324.533
where: short stacking energy: -143.527
Base-Backbone interact. energy: -0.732
local terms energy: -162.378735
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -35.533
flat angles C4'-P-C4' energy: -35.019
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -47.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -459.196210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.196210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.196210 (E_RNA)
where:
Base-Base interactions energy: -309.343
where: short stacking energy: -129.513
Base-Backbone interact. energy: -0.120
local terms energy: -149.732320
where:
bonds (distance) C4'-P energy: -28.153
bonds (distance) P-C4' energy: -34.220
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -33.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -335.944207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.944207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.944207 (E_RNA)
where:
Base-Base interactions energy: -203.150
where: short stacking energy: -85.760
Base-Backbone interact. energy: -0.888
local terms energy: -131.906293
where:
bonds (distance) C4'-P energy: -36.416
bonds (distance) P-C4' energy: -28.781
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -295.598322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.598322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.598322 (E_RNA)
where:
Base-Base interactions energy: -174.643
where: short stacking energy: -89.773
Base-Backbone interact. energy: 0.361
local terms energy: -121.315634
where:
bonds (distance) C4'-P energy: -27.211
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -295.870096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.870096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.870096 (E_RNA)
where:
Base-Base interactions energy: -168.085
where: short stacking energy: -87.811
Base-Backbone interact. energy: 0.220
local terms energy: -128.004602
where:
bonds (distance) C4'-P energy: -31.818
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -149.237691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.237691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.237691 (E_RNA)
where:
Base-Base interactions energy: -50.334
where: short stacking energy: -41.922
Base-Backbone interact. energy: -0.349
local terms energy: -98.554715
where:
bonds (distance) C4'-P energy: -24.922
bonds (distance) P-C4' energy: -29.455
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -1.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -563.517285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.517285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.517285 (E_RNA)
where:
Base-Base interactions energy: -381.928
where: short stacking energy: -176.025
Base-Backbone interact. energy: -0.764
local terms energy: -180.824672
where:
bonds (distance) C4'-P energy: -29.238
bonds (distance) P-C4' energy: -36.296
flat angles C4'-P-C4' energy: -35.227
flat angles P-C4'-P energy: -27.100
tors. eta vs tors. theta energy: -52.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -559.919111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.919111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.919111 (E_RNA)
where:
Base-Base interactions energy: -384.389
where: short stacking energy: -170.617
Base-Backbone interact. energy: -0.298
local terms energy: -175.231876
where:
bonds (distance) C4'-P energy: -32.847
bonds (distance) P-C4' energy: -33.796
flat angles C4'-P-C4' energy: -35.775
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -46.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -529.029561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.029561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.029561 (E_RNA)
where:
Base-Base interactions energy: -361.989
where: short stacking energy: -150.727
Base-Backbone interact. energy: -0.732
local terms energy: -166.308327
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -39.444
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -46.204
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: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -508.803901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.803901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.803901 (E_RNA)
where:
Base-Base interactions energy: -341.583
where: short stacking energy: -149.379
Base-Backbone interact. energy: -0.217
local terms energy: -167.003833
where:
bonds (distance) C4'-P energy: -34.417
bonds (distance) P-C4' energy: -28.334
flat angles C4'-P-C4' energy: -40.796
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -41.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -503.592686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.592686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.592686 (E_RNA)
where:
Base-Base interactions energy: -329.451
where: short stacking energy: -156.707
Base-Backbone interact. energy: -0.823
local terms energy: -173.318242
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -34.305
flat angles C4'-P-C4' energy: -33.824
flat angles P-C4'-P energy: -23.630
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -468.865835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.865835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.865835 (E_RNA)
where:
Base-Base interactions energy: -320.350
where: short stacking energy: -120.368
Base-Backbone interact. energy: -0.483
local terms energy: -148.032509
where:
bonds (distance) C4'-P energy: -33.343
bonds (distance) P-C4' energy: -33.153
flat angles C4'-P-C4' energy: -29.744
flat angles P-C4'-P energy: -16.688
tors. eta vs tors. theta energy: -35.104
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: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -343.139541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.139541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.139541 (E_RNA)
where:
Base-Base interactions energy: -205.930
where: short stacking energy: -101.551
Base-Backbone interact. energy: -0.915
local terms energy: -136.354187
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -30.047
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -21.618
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.059 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -291.812390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.812390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.812390 (E_RNA)
where:
Base-Base interactions energy: -172.189
where: short stacking energy: -85.999
Base-Backbone interact. energy: -0.760
local terms energy: -118.864011
where:
bonds (distance) C4'-P energy: -29.709
bonds (distance) P-C4' energy: -34.191
flat angles C4'-P-C4' energy: -26.203
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -9.906
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: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -315.552871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.552871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.552871 (E_RNA)
where:
Base-Base interactions energy: -192.628
where: short stacking energy: -85.484
Base-Backbone interact. energy: -1.550
local terms energy: -121.375189
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -28.944
flat angles C4'-P-C4' energy: -31.195
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -21.415
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: 201
Temperature: 1.350000
Total energy: -151.147261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.147261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.147261 (E_RNA)
where:
Base-Base interactions energy: -51.279
where: short stacking energy: -40.720
Base-Backbone interact. energy: 0.313
local terms energy: -100.181401
where:
bonds (distance) C4'-P energy: -32.255
bonds (distance) P-C4' energy: -29.261
flat angles C4'-P-C4' energy: -21.888
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -572.621077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.621077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.621077 (E_RNA)
where:
Base-Base interactions energy: -398.264
where: short stacking energy: -165.759
Base-Backbone interact. energy: -0.415
local terms energy: -173.942297
where:
bonds (distance) C4'-P energy: -35.827
bonds (distance) P-C4' energy: -30.367
flat angles C4'-P-C4' energy: -34.596
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -46.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -559.674383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.674383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.674383 (E_RNA)
where:
Base-Base interactions energy: -362.940
where: short stacking energy: -171.340
Base-Backbone interact. energy: -0.030
local terms energy: -196.704366
where:
bonds (distance) C4'-P energy: -33.726
bonds (distance) P-C4' energy: -36.656
flat angles C4'-P-C4' energy: -38.816
flat angles P-C4'-P energy: -29.951
tors. eta vs tors. theta energy: -57.555
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: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -537.114970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.114970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.114970 (E_RNA)
where:
Base-Base interactions energy: -364.521
where: short stacking energy: -151.492
Base-Backbone interact. energy: -0.060
local terms energy: -172.534518
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -35.847
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -44.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -513.692129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.692129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.692129 (E_RNA)
where:
Base-Base interactions energy: -359.749
where: short stacking energy: -139.644
Base-Backbone interact. energy: -0.261
local terms energy: -153.682203
where:
bonds (distance) C4'-P energy: -28.485
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -24.506
tors. eta vs tors. theta energy: -45.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -473.789582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.789582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.789582 (E_RNA)
where:
Base-Base interactions energy: -319.098
where: short stacking energy: -124.506
Base-Backbone interact. energy: 0.170
local terms energy: -156.633827
where:
bonds (distance) C4'-P energy: -35.104
bonds (distance) P-C4' energy: -33.216
flat angles C4'-P-C4' energy: -30.273
flat angles P-C4'-P energy: -20.340
tors. eta vs tors. theta energy: -37.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.773 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -484.337875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.337875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.337875 (E_RNA)
where:
Base-Base interactions energy: -311.269
where: short stacking energy: -140.297
Base-Backbone interact. energy: -0.446
local terms energy: -172.622595
where:
bonds (distance) C4'-P energy: -31.531
bonds (distance) P-C4' energy: -37.956
flat angles C4'-P-C4' energy: -35.964
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -43.514
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: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -327.429577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.429577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.429577 (E_RNA)
where:
Base-Base interactions energy: -199.968
where: short stacking energy: -89.495
Base-Backbone interact. energy: -0.921
local terms energy: -126.540939
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -24.143
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -21.591
tors. eta vs tors. theta energy: -24.266
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: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -296.360178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.360178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.360178 (E_RNA)
where:
Base-Base interactions energy: -188.890
where: short stacking energy: -97.042
Base-Backbone interact. energy: -0.330
local terms energy: -107.139456
where:
bonds (distance) C4'-P energy: -26.564
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -27.235
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -275.173915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.173915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.173915 (E_RNA)
where:
Base-Base interactions energy: -143.583
where: short stacking energy: -76.056
Base-Backbone interact. energy: -1.244
local terms energy: -130.347406
where:
bonds (distance) C4'-P energy: -27.924
bonds (distance) P-C4' energy: -39.971
flat angles C4'-P-C4' energy: -25.200
flat angles P-C4'-P energy: -16.510
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -151.044718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.044718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.044718 (E_RNA)
where:
Base-Base interactions energy: -55.478
where: short stacking energy: -43.933
Base-Backbone interact. energy: -1.053
local terms energy: -94.513057
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -27.966
flat angles C4'-P-C4' energy: -27.091
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -577.676203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.676203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.676203 (E_RNA)
where:
Base-Base interactions energy: -401.203
where: short stacking energy: -165.423
Base-Backbone interact. energy: -0.408
local terms energy: -176.065424
where:
bonds (distance) C4'-P energy: -30.728
bonds (distance) P-C4' energy: -28.027
flat angles C4'-P-C4' energy: -36.730
flat angles P-C4'-P energy: -30.985
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: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -555.024667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.024667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.024667 (E_RNA)
where:
Base-Base interactions energy: -370.551
where: short stacking energy: -153.256
Base-Backbone interact. energy: -0.578
local terms energy: -183.896106
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -37.171
flat angles P-C4'-P energy: -24.239
tors. eta vs tors. theta energy: -51.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -520.139528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.139528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.139528 (E_RNA)
where:
Base-Base interactions energy: -349.145
where: short stacking energy: -136.095
Base-Backbone interact. energy: -0.689
local terms energy: -170.306043
where:
bonds (distance) C4'-P energy: -33.847
bonds (distance) P-C4' energy: -36.561
flat angles C4'-P-C4' energy: -35.086
flat angles P-C4'-P energy: -28.375
tors. eta vs tors. theta energy: -36.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -505.539996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.539996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.539996 (E_RNA)
where:
Base-Base interactions energy: -331.729
where: short stacking energy: -150.051
Base-Backbone interact. energy: -0.344
local terms energy: -173.467098
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -36.504
flat angles C4'-P-C4' energy: -33.515
flat angles P-C4'-P energy: -23.806
tors. eta vs tors. theta energy: -44.799
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: 203
Temperature: 1.100000
Total energy: -479.593353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.593353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.593353 (E_RNA)
where:
Base-Base interactions energy: -327.606
where: short stacking energy: -117.718
Base-Backbone interact. energy: -0.463
local terms energy: -151.702217
where:
bonds (distance) C4'-P energy: -35.389
bonds (distance) P-C4' energy: -32.607
flat angles C4'-P-C4' energy: -28.896
flat angles P-C4'-P energy: -23.926
tors. eta vs tors. theta energy: -30.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.178 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -479.152747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.152747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.152747 (E_RNA)
where:
Base-Base interactions energy: -332.219
where: short stacking energy: -146.343
Base-Backbone interact. energy: -0.595
local terms energy: -146.338252
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -35.557
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -48.915
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: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -346.934830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.934830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.934830 (E_RNA)
where:
Base-Base interactions energy: -222.937
where: short stacking energy: -103.827
Base-Backbone interact. energy: 0.583
local terms energy: -124.580094
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -28.804
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: -23.671
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: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -305.668024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.668024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.668024 (E_RNA)
where:
Base-Base interactions energy: -183.150
where: short stacking energy: -83.662
Base-Backbone interact. energy: -0.406
local terms energy: -122.112734
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -33.872
flat angles C4'-P-C4' energy: -27.097
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -266.004463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.004463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.004463 (E_RNA)
where:
Base-Base interactions energy: -153.470
where: short stacking energy: -68.128
Base-Backbone interact. energy: -0.275
local terms energy: -112.259533
where:
bonds (distance) C4'-P energy: -30.801
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -25.073
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -145.876248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.876248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.876248 (E_RNA)
where:
Base-Base interactions energy: -46.909
where: short stacking energy: -36.676
Base-Backbone interact. energy: -0.320
local terms energy: -98.647280
where:
bonds (distance) C4'-P energy: -30.673
bonds (distance) P-C4' energy: -26.074
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: 1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -586.673352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.673352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.673352 (E_RNA)
where:
Base-Base interactions energy: -396.039
where: short stacking energy: -160.063
Base-Backbone interact. energy: -0.434
local terms energy: -190.200032
where:
bonds (distance) C4'-P energy: -37.110
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -38.610
flat angles P-C4'-P energy: -23.797
tors. eta vs tors. theta energy: -54.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -559.720779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.720779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.720779 (E_RNA)
where:
Base-Base interactions energy: -369.265
where: short stacking energy: -157.818
Base-Backbone interact. energy: -0.839
local terms energy: -189.616623
where:
bonds (distance) C4'-P energy: -33.365
bonds (distance) P-C4' energy: -39.815
flat angles C4'-P-C4' energy: -38.804
flat angles P-C4'-P energy: -27.873
tors. eta vs tors. theta energy: -49.760
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: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -530.672784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.672784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.672784 (E_RNA)
where:
Base-Base interactions energy: -365.621
where: short stacking energy: -147.773
Base-Backbone interact. energy: -0.419
local terms energy: -164.633069
where:
bonds (distance) C4'-P energy: -30.344
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -35.319
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -51.365
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: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -500.067207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.067207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.067207 (E_RNA)
where:
Base-Base interactions energy: -328.823
where: short stacking energy: -145.360
Base-Backbone interact. energy: -0.102
local terms energy: -171.142205
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -28.829
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -51.749
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: 204
Temperature: 1.100000
Total energy: -481.283195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.283195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.283195 (E_RNA)
where:
Base-Base interactions energy: -322.061
where: short stacking energy: -134.405
Base-Backbone interact. energy: -0.377
local terms energy: -158.845127
where:
bonds (distance) C4'-P energy: -35.739
bonds (distance) P-C4' energy: -28.395
flat angles C4'-P-C4' energy: -31.266
flat angles P-C4'-P energy: -20.255
tors. eta vs tors. theta energy: -43.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -487.532393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.532393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.532393 (E_RNA)
where:
Base-Base interactions energy: -343.114
where: short stacking energy: -119.274
Base-Backbone interact. energy: 0.693
local terms energy: -145.110701
where:
bonds (distance) C4'-P energy: -30.012
bonds (distance) P-C4' energy: -35.820
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -26.575
tors. eta vs tors. theta energy: -26.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -319.939210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.939210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.939210 (E_RNA)
where:
Base-Base interactions energy: -179.456
where: short stacking energy: -84.465
Base-Backbone interact. energy: -0.257
local terms energy: -140.226038
where:
bonds (distance) C4'-P energy: -36.484
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -21.028
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -291.590028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.590028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.590028 (E_RNA)
where:
Base-Base interactions energy: -173.222
where: short stacking energy: -86.456
Base-Backbone interact. energy: 0.094
local terms energy: -118.462368
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -23.286
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -21.140
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: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -255.433446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.433446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.433446 (E_RNA)
where:
Base-Base interactions energy: -135.396
where: short stacking energy: -58.776
Base-Backbone interact. energy: -1.037
local terms energy: -118.999842
where:
bonds (distance) C4'-P energy: -30.523
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -7.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -144.526110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.526110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.526110 (E_RNA)
where:
Base-Base interactions energy: -60.608
where: short stacking energy: -60.387
Base-Backbone interact. energy: 0.665
local terms energy: -84.583758
where:
bonds (distance) C4'-P energy: -28.974
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: 1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -570.550939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.550939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.550939 (E_RNA)
where:
Base-Base interactions energy: -391.836
where: short stacking energy: -153.826
Base-Backbone interact. energy: -0.591
local terms energy: -178.124032
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -35.507
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -28.863
tors. eta vs tors. theta energy: -48.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -548.399396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.399396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.399396 (E_RNA)
where:
Base-Base interactions energy: -368.112
where: short stacking energy: -160.023
Base-Backbone interact. energy: -0.741
local terms energy: -179.546857
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -31.448
flat angles C4'-P-C4' energy: -41.056
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: -49.970
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: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -511.161828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.161828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.161828 (E_RNA)
where:
Base-Base interactions energy: -350.104
where: short stacking energy: -148.791
Base-Backbone interact. energy: -0.194
local terms energy: -160.864062
where:
bonds (distance) C4'-P energy: -33.691
bonds (distance) P-C4' energy: -30.212
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -21.667
tors. eta vs tors. theta energy: -43.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -513.447603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.447603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.447603 (E_RNA)
where:
Base-Base interactions energy: -348.182
where: short stacking energy: -148.805
Base-Backbone interact. energy: -0.273
local terms energy: -165.374734
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -28.420
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -26.495
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: 0.382 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -495.732898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.732898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.732898 (E_RNA)
where:
Base-Base interactions energy: -332.884
where: short stacking energy: -153.316
Base-Backbone interact. energy: -0.310
local terms energy: -162.538584
where:
bonds (distance) C4'-P energy: -30.517
bonds (distance) P-C4' energy: -31.243
flat angles C4'-P-C4' energy: -36.537
flat angles P-C4'-P energy: -25.837
tors. eta vs tors. theta energy: -38.404
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: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -479.338258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.338258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.338258 (E_RNA)
where:
Base-Base interactions energy: -327.332
where: short stacking energy: -117.062
Base-Backbone interact. energy: -1.800
local terms energy: -150.206821
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -34.334
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -28.767
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: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -335.364776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.364776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.364776 (E_RNA)
where:
Base-Base interactions energy: -219.828
where: short stacking energy: -96.465
Base-Backbone interact. energy: -0.444
local terms energy: -115.093031
where:
bonds (distance) C4'-P energy: -23.400
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -23.590
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -29.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -297.666483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.666483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.666483 (E_RNA)
where:
Base-Base interactions energy: -180.781
where: short stacking energy: -91.422
Base-Backbone interact. energy: -1.337
local terms energy: -115.548566
where:
bonds (distance) C4'-P energy: -27.405
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -34.034
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -164.312639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.312639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.312639 (E_RNA)
where:
Base-Base interactions energy: -84.633
where: short stacking energy: -53.724
Base-Backbone interact. energy: -1.428
local terms energy: -78.251449
where:
bonds (distance) C4'-P energy: -26.719
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: 9.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -145.662530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.662530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.662530 (E_RNA)
where:
Base-Base interactions energy: -54.283
where: short stacking energy: -43.535
Base-Backbone interact. energy: -0.908
local terms energy: -90.471736
where:
bonds (distance) C4'-P energy: -31.857
bonds (distance) P-C4' energy: -29.328
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -10.883
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: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -573.122143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.122143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.122143 (E_RNA)
where:
Base-Base interactions energy: -400.082
where: short stacking energy: -154.601
Base-Backbone interact. energy: -0.082
local terms energy: -172.957520
where:
bonds (distance) C4'-P energy: -33.341
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -37.893
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -44.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -562.725977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.725977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.725977 (E_RNA)
where:
Base-Base interactions energy: -379.346
where: short stacking energy: -159.751
Base-Backbone interact. energy: -0.481
local terms energy: -182.899513
where:
bonds (distance) C4'-P energy: -32.336
bonds (distance) P-C4' energy: -35.225
flat angles C4'-P-C4' energy: -38.814
flat angles P-C4'-P energy: -27.286
tors. eta vs tors. theta energy: -49.239
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: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -554.724601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.724601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.724601 (E_RNA)
where:
Base-Base interactions energy: -376.332
where: short stacking energy: -143.975
Base-Backbone interact. energy: -0.112
local terms energy: -178.280514
where:
bonds (distance) C4'-P energy: -35.802
bonds (distance) P-C4' energy: -37.413
flat angles C4'-P-C4' energy: -39.726
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -42.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -488.689373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.689373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.689373 (E_RNA)
where:
Base-Base interactions energy: -326.680
where: short stacking energy: -142.834
Base-Backbone interact. energy: -0.086
local terms energy: -161.945655
where:
bonds (distance) C4'-P energy: -30.318
bonds (distance) P-C4' energy: -34.506
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -23.433
tors. eta vs tors. theta energy: -41.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.022 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -503.904141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.904141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.904141 (E_RNA)
where:
Base-Base interactions energy: -326.778
where: short stacking energy: -156.476
Base-Backbone interact. energy: -0.143
local terms energy: -176.983192
where:
bonds (distance) C4'-P energy: -31.114
bonds (distance) P-C4' energy: -35.364
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -30.442
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: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -470.751283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.751283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.751283 (E_RNA)
where:
Base-Base interactions energy: -327.597
where: short stacking energy: -112.174
Base-Backbone interact. energy: -0.850
local terms energy: -142.431837
where:
bonds (distance) C4'-P energy: -25.949
bonds (distance) P-C4' energy: -31.759
flat angles C4'-P-C4' energy: -34.022
flat angles P-C4'-P energy: -21.328
tors. eta vs tors. theta energy: -29.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.128 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -339.041591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.041591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.041591 (E_RNA)
where:
Base-Base interactions energy: -205.578
where: short stacking energy: -102.092
Base-Backbone interact. energy: -0.348
local terms energy: -133.115689
where:
bonds (distance) C4'-P energy: -30.794
bonds (distance) P-C4' energy: -25.644
flat angles C4'-P-C4' energy: -30.230
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -29.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -326.024503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.024503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.024503 (E_RNA)
where:
Base-Base interactions energy: -197.471
where: short stacking energy: -94.689
Base-Backbone interact. energy: 1.284
local terms energy: -129.838010
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -33.106
flat angles C4'-P-C4' energy: -35.564
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -21.054
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: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -181.337177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.337177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.337177 (E_RNA)
where:
Base-Base interactions energy: -76.986
where: short stacking energy: -62.033
Base-Backbone interact. energy: 1.700
local terms energy: -106.051017
where:
bonds (distance) C4'-P energy: -28.685
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: 0.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -159.262510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.262510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.262510 (E_RNA)
where:
Base-Base interactions energy: -62.787
where: short stacking energy: -60.866
Base-Backbone interact. energy: 4.800
local terms energy: -101.274808
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -3.582
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: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -576.573954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.573954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.573954 (E_RNA)
where:
Base-Base interactions energy: -402.825
where: short stacking energy: -165.493
Base-Backbone interact. energy: -0.750
local terms energy: -172.999509
where:
bonds (distance) C4'-P energy: -34.914
bonds (distance) P-C4' energy: -31.706
flat angles C4'-P-C4' energy: -34.275
flat angles P-C4'-P energy: -23.115
tors. eta vs tors. theta energy: -48.989
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: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -565.161102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.161102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.161102 (E_RNA)
where:
Base-Base interactions energy: -388.808
where: short stacking energy: -168.989
Base-Backbone interact. energy: -0.018
local terms energy: -176.334634
where:
bonds (distance) C4'-P energy: -26.662
bonds (distance) P-C4' energy: -29.303
flat angles C4'-P-C4' energy: -40.363
flat angles P-C4'-P energy: -24.629
tors. eta vs tors. theta energy: -55.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -540.515430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.515430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.515430 (E_RNA)
where:
Base-Base interactions energy: -367.910
where: short stacking energy: -149.336
Base-Backbone interact. energy: -0.433
local terms energy: -172.172499
where:
bonds (distance) C4'-P energy: -37.513
bonds (distance) P-C4' energy: -29.894
flat angles C4'-P-C4' energy: -37.064
flat angles P-C4'-P energy: -27.565
tors. eta vs tors. theta energy: -40.136
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: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -506.653266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.653266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.653266 (E_RNA)
where:
Base-Base interactions energy: -339.435
where: short stacking energy: -125.390
Base-Backbone interact. energy: -1.030
local terms energy: -166.790113
where:
bonds (distance) C4'-P energy: -34.553
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -33.560
flat angles P-C4'-P energy: -25.427
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: 0.602 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -474.534009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.534009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.534009 (E_RNA)
where:
Base-Base interactions energy: -317.375
where: short stacking energy: -147.480
Base-Backbone interact. energy: -0.246
local terms energy: -157.116034
where:
bonds (distance) C4'-P energy: -34.064
bonds (distance) P-C4' energy: -33.372
flat angles C4'-P-C4' energy: -33.478
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -38.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.204 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -448.455552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.455552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.455552 (E_RNA)
where:
Base-Base interactions energy: -290.842
where: short stacking energy: -116.594
Base-Backbone interact. energy: -0.719
local terms energy: -156.895135
where:
bonds (distance) C4'-P energy: -30.694
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -29.558
flat angles P-C4'-P energy: -29.049
tors. eta vs tors. theta energy: -31.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -304.126603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.126603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.126603 (E_RNA)
where:
Base-Base interactions energy: -183.183
where: short stacking energy: -83.596
Base-Backbone interact. energy: -0.953
local terms energy: -119.990849
where:
bonds (distance) C4'-P energy: -26.097
bonds (distance) P-C4' energy: -31.920
flat angles C4'-P-C4' energy: -32.677
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -299.921479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.921479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.921479 (E_RNA)
where:
Base-Base interactions energy: -180.224
where: short stacking energy: -71.414
Base-Backbone interact. energy: -0.971
local terms energy: -118.852867
where:
bonds (distance) C4'-P energy: -29.477
bonds (distance) P-C4' energy: -29.194
flat angles C4'-P-C4' energy: -27.894
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.126 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -152.645263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.645263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.645263 (E_RNA)
where:
Base-Base interactions energy: -60.339
where: short stacking energy: -45.981
Base-Backbone interact. energy: 0.295
local terms energy: -92.600552
where:
bonds (distance) C4'-P energy: -24.293
bonds (distance) P-C4' energy: -31.006
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: 2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -158.607308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.607308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.607308 (E_RNA)
where:
Base-Base interactions energy: -50.415
where: short stacking energy: -37.357
Base-Backbone interact. energy: -1.811
local terms energy: -107.022077
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -24.543
flat angles C4'-P-C4' energy: -35.370
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: 0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.641 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -578.032066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.032066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.032066 (E_RNA)
where:
Base-Base interactions energy: -404.881
where: short stacking energy: -160.542
Base-Backbone interact. energy: -0.164
local terms energy: -172.987637
where:
bonds (distance) C4'-P energy: -32.094
bonds (distance) P-C4' energy: -32.955
flat angles C4'-P-C4' energy: -35.772
flat angles P-C4'-P energy: -23.928
tors. eta vs tors. theta energy: -48.238
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: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -535.357946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.357946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.357946 (E_RNA)
where:
Base-Base interactions energy: -353.204
where: short stacking energy: -151.216
Base-Backbone interact. energy: -1.816
local terms energy: -180.338309
where:
bonds (distance) C4'-P energy: -32.456
bonds (distance) P-C4' energy: -35.721
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -28.308
tors. eta vs tors. theta energy: -49.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -539.077008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.077008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.077008 (E_RNA)
where:
Base-Base interactions energy: -380.094
where: short stacking energy: -151.836
Base-Backbone interact. energy: -0.485
local terms energy: -158.829074
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -33.288
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -46.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.331 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -502.201843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.201843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.201843 (E_RNA)
where:
Base-Base interactions energy: -351.886
where: short stacking energy: -147.299
Base-Backbone interact. energy: -0.893
local terms energy: -150.620458
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -28.877
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -36.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.198 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -489.623896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.623896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.623896 (E_RNA)
where:
Base-Base interactions energy: -341.423
where: short stacking energy: -147.856
Base-Backbone interact. energy: 0.485
local terms energy: -148.685271
where:
bonds (distance) C4'-P energy: -31.961
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -28.460
flat angles P-C4'-P energy: -22.168
tors. eta vs tors. theta energy: -42.331
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: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -423.238211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.238211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.238211 (E_RNA)
where:
Base-Base interactions energy: -281.230
where: short stacking energy: -114.989
Base-Backbone interact. energy: -2.533
local terms energy: -139.474862
where:
bonds (distance) C4'-P energy: -28.529
bonds (distance) P-C4' energy: -31.379
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -26.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -319.869740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.869740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.869740 (E_RNA)
where:
Base-Base interactions energy: -183.810
where: short stacking energy: -87.648
Base-Backbone interact. energy: 0.210
local terms energy: -136.270315
where:
bonds (distance) C4'-P energy: -32.494
bonds (distance) P-C4' energy: -29.410
flat angles C4'-P-C4' energy: -31.537
flat angles P-C4'-P energy: -20.092
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -313.610465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.610465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.610465 (E_RNA)
where:
Base-Base interactions energy: -195.871
where: short stacking energy: -93.552
Base-Backbone interact. energy: -1.034
local terms energy: -116.705354
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -29.098
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -164.273123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.273123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.273123 (E_RNA)
where:
Base-Base interactions energy: -53.818
where: short stacking energy: -41.197
Base-Backbone interact. energy: -0.282
local terms energy: -110.173178
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -33.576
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: 3.101
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: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -136.546468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.546468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.546468 (E_RNA)
where:
Base-Base interactions energy: -45.438
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.486
local terms energy: -90.622063
where:
bonds (distance) C4'-P energy: -33.008
bonds (distance) P-C4' energy: -27.005
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: 13.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -590.482345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.482345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.482345 (E_RNA)
where:
Base-Base interactions energy: -402.696
where: short stacking energy: -169.306
Base-Backbone interact. energy: -1.107
local terms energy: -186.679599
where:
bonds (distance) C4'-P energy: -32.513
bonds (distance) P-C4' energy: -37.056
flat angles C4'-P-C4' energy: -39.877
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -53.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -539.783584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.783584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.783584 (E_RNA)
where:
Base-Base interactions energy: -369.442
where: short stacking energy: -155.325
Base-Backbone interact. energy: -1.085
local terms energy: -171.069335
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -39.163
flat angles P-C4'-P energy: -21.017
tors. eta vs tors. theta energy: -49.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.813 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -538.513602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.513602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.513602 (E_RNA)
where:
Base-Base interactions energy: -361.102
where: short stacking energy: -151.888
Base-Backbone interact. energy: -0.016
local terms energy: -177.395419
where:
bonds (distance) C4'-P energy: -34.284
bonds (distance) P-C4' energy: -38.081
flat angles C4'-P-C4' energy: -37.810
flat angles P-C4'-P energy: -22.556
tors. eta vs tors. theta energy: -44.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -522.518598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.518598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.518598 (E_RNA)
where:
Base-Base interactions energy: -354.693
where: short stacking energy: -151.608
Base-Backbone interact. energy: -1.074
local terms energy: -166.936288
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -35.171
flat angles C4'-P-C4' energy: -36.231
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -48.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.185 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -488.721967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.721967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.721967 (E_RNA)
where:
Base-Base interactions energy: -315.059
where: short stacking energy: -141.517
Base-Backbone interact. energy: 1.456
local terms energy: -175.119880
where:
bonds (distance) C4'-P energy: -33.066
bonds (distance) P-C4' energy: -37.092
flat angles C4'-P-C4' energy: -37.655
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -44.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -370.833452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.833452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.833452 (E_RNA)
where:
Base-Base interactions energy: -235.784
where: short stacking energy: -106.530
Base-Backbone interact. energy: -0.772
local terms energy: -137.878787
where:
bonds (distance) C4'-P energy: -27.949
bonds (distance) P-C4' energy: -32.045
flat angles C4'-P-C4' energy: -34.860
flat angles P-C4'-P energy: -23.733
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.602 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -326.921570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.921570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.921570 (E_RNA)
where:
Base-Base interactions energy: -191.376
where: short stacking energy: -102.507
Base-Backbone interact. energy: -0.395
local terms energy: -135.150571
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -38.210
flat angles C4'-P-C4' energy: -30.824
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -28.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -287.946934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.946934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.946934 (E_RNA)
where:
Base-Base interactions energy: -186.944
where: short stacking energy: -99.322
Base-Backbone interact. energy: -0.594
local terms energy: -100.539429
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -23.109
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.131 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -162.622286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.622286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.622286 (E_RNA)
where:
Base-Base interactions energy: -64.267
where: short stacking energy: -49.396
Base-Backbone interact. energy: -0.290
local terms energy: -98.065416
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -34.539
flat angles C4'-P-C4' energy: -23.722
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: 1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -152.274932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.274932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.274932 (E_RNA)
where:
Base-Base interactions energy: -57.729
where: short stacking energy: -42.200
Base-Backbone interact. energy: 1.408
local terms energy: -96.288314
where:
bonds (distance) C4'-P energy: -30.188
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.335 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -585.638065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.638065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.638065 (E_RNA)
where:
Base-Base interactions energy: -392.343
where: short stacking energy: -168.546
Base-Backbone interact. energy: 0.918
local terms energy: -194.213200
where:
bonds (distance) C4'-P energy: -43.110
bonds (distance) P-C4' energy: -35.116
flat angles C4'-P-C4' energy: -37.078
flat angles P-C4'-P energy: -27.178
tors. eta vs tors. theta energy: -51.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -568.484758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.484758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.484758 (E_RNA)
where:
Base-Base interactions energy: -381.899
where: short stacking energy: -156.907
Base-Backbone interact. energy: -0.446
local terms energy: -186.139239
where:
bonds (distance) C4'-P energy: -30.335
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -32.827
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -53.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -534.200323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.200323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.200323 (E_RNA)
where:
Base-Base interactions energy: -361.239
where: short stacking energy: -154.599
Base-Backbone interact. energy: 1.274
local terms energy: -174.235718
where:
bonds (distance) C4'-P energy: -30.628
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -35.037
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -53.070
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: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -514.695826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.695826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.695826 (E_RNA)
where:
Base-Base interactions energy: -352.817
where: short stacking energy: -147.085
Base-Backbone interact. energy: -1.279
local terms energy: -160.599767
where:
bonds (distance) C4'-P energy: -31.484
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -35.741
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -41.774
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: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -497.648638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.648638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.648638 (E_RNA)
where:
Base-Base interactions energy: -331.881
where: short stacking energy: -143.574
Base-Backbone interact. energy: -0.643
local terms energy: -165.124142
where:
bonds (distance) C4'-P energy: -29.364
bonds (distance) P-C4' energy: -32.351
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -46.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -385.464645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.464645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.464645 (E_RNA)
where:
Base-Base interactions energy: -247.485
where: short stacking energy: -100.678
Base-Backbone interact. energy: 0.123
local terms energy: -138.102443
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -34.197
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -23.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -326.599937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.599937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.599937 (E_RNA)
where:
Base-Base interactions energy: -188.608
where: short stacking energy: -94.965
Base-Backbone interact. energy: -0.348
local terms energy: -137.643991
where:
bonds (distance) C4'-P energy: -33.813
bonds (distance) P-C4' energy: -30.045
flat angles C4'-P-C4' energy: -34.066
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -20.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -294.433677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.433677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.433677 (E_RNA)
where:
Base-Base interactions energy: -172.793
where: short stacking energy: -96.221
Base-Backbone interact. energy: 0.116
local terms energy: -121.756205
where:
bonds (distance) C4'-P energy: -22.983
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -33.851
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -151.843329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.843329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.843329 (E_RNA)
where:
Base-Base interactions energy: -43.719
where: short stacking energy: -39.468
Base-Backbone interact. energy: 0.054
local terms energy: -108.178749
where:
bonds (distance) C4'-P energy: -29.962
bonds (distance) P-C4' energy: -33.487
flat angles C4'-P-C4' energy: -32.836
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: 6.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -151.279796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.279796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.279796 (E_RNA)
where:
Base-Base interactions energy: -75.438
where: short stacking energy: -56.038
Base-Backbone interact. energy: -0.520
local terms energy: -76.471215
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: 1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.149 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -584.345006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.345006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.345006 (E_RNA)
where:
Base-Base interactions energy: -391.749
where: short stacking energy: -168.935
Base-Backbone interact. energy: -0.088
local terms energy: -192.507212
where:
bonds (distance) C4'-P energy: -38.055
bonds (distance) P-C4' energy: -37.576
flat angles C4'-P-C4' energy: -40.889
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: -47.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -539.913487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.913487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.913487 (E_RNA)
where:
Base-Base interactions energy: -371.371
where: short stacking energy: -157.609
Base-Backbone interact. energy: -0.138
local terms energy: -168.404220
where:
bonds (distance) C4'-P energy: -31.996
bonds (distance) P-C4' energy: -35.519
flat angles C4'-P-C4' energy: -35.222
flat angles P-C4'-P energy: -22.314
tors. eta vs tors. theta energy: -43.353
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: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -523.066492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.066492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.066492 (E_RNA)
where:
Base-Base interactions energy: -340.993
where: short stacking energy: -157.263
Base-Backbone interact. energy: -0.550
local terms energy: -182.513745
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -33.591
flat angles C4'-P-C4' energy: -36.495
flat angles P-C4'-P energy: -26.814
tors. eta vs tors. theta energy: -49.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.991 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -507.816054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.816054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.816054 (E_RNA)
where:
Base-Base interactions energy: -344.395
where: short stacking energy: -132.381
Base-Backbone interact. energy: -0.320
local terms energy: -163.100999
where:
bonds (distance) C4'-P energy: -34.812
bonds (distance) P-C4' energy: -34.062
flat angles C4'-P-C4' energy: -36.890
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -37.549
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: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -477.107825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.107825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.107825 (E_RNA)
where:
Base-Base interactions energy: -318.238
where: short stacking energy: -128.894
Base-Backbone interact. energy: -1.244
local terms energy: -157.626351
where:
bonds (distance) C4'-P energy: -32.888
bonds (distance) P-C4' energy: -32.987
flat angles C4'-P-C4' energy: -35.558
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -39.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -392.977135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.977135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.977135 (E_RNA)
where:
Base-Base interactions energy: -256.510
where: short stacking energy: -123.127
Base-Backbone interact. energy: 0.341
local terms energy: -136.808297
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -30.766
flat angles C4'-P-C4' energy: -34.859
flat angles P-C4'-P energy: -21.148
tors. eta vs tors. theta energy: -24.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -352.501948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.501948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.501948 (E_RNA)
where:
Base-Base interactions energy: -207.647
where: short stacking energy: -96.648
Base-Backbone interact. energy: -0.908
local terms energy: -143.947040
where:
bonds (distance) C4'-P energy: -35.626
bonds (distance) P-C4' energy: -27.172
flat angles C4'-P-C4' energy: -31.104
flat angles P-C4'-P energy: -22.889
tors. eta vs tors. theta energy: -27.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -304.737228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.737228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.737228 (E_RNA)
where:
Base-Base interactions energy: -189.200
where: short stacking energy: -83.784
Base-Backbone interact. energy: -0.864
local terms energy: -114.673457
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -27.797
flat angles C4'-P-C4' energy: -28.033
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -166.003176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.003176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.003176 (E_RNA)
where:
Base-Base interactions energy: -62.036
where: short stacking energy: -49.340
Base-Backbone interact. energy: 1.380
local terms energy: -105.347687
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -26.954
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -4.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -156.878445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.878445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.878445 (E_RNA)
where:
Base-Base interactions energy: -56.263
where: short stacking energy: -42.929
Base-Backbone interact. energy: -0.278
local terms energy: -100.336941
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -31.085
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -551.617640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.617640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.617640 (E_RNA)
where:
Base-Base interactions energy: -382.245
where: short stacking energy: -160.495
Base-Backbone interact. energy: -0.014
local terms energy: -169.358780
where:
bonds (distance) C4'-P energy: -32.289
bonds (distance) P-C4' energy: -34.286
flat angles C4'-P-C4' energy: -36.273
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -47.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -562.904405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.904405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.904405 (E_RNA)
where:
Base-Base interactions energy: -388.392
where: short stacking energy: -167.029
Base-Backbone interact. energy: 1.079
local terms energy: -175.591419
where:
bonds (distance) C4'-P energy: -26.722
bonds (distance) P-C4' energy: -33.548
flat angles C4'-P-C4' energy: -40.924
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -50.312
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: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -528.003807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.003807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.003807 (E_RNA)
where:
Base-Base interactions energy: -361.495
where: short stacking energy: -144.836
Base-Backbone interact. energy: -1.085
local terms energy: -165.910967
where:
bonds (distance) C4'-P energy: -28.567
bonds (distance) P-C4' energy: -31.281
flat angles C4'-P-C4' energy: -35.862
flat angles P-C4'-P energy: -27.784
tors. eta vs tors. theta energy: -42.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.487 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -512.825362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.825362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.825362 (E_RNA)
where:
Base-Base interactions energy: -340.951
where: short stacking energy: -145.384
Base-Backbone interact. energy: -0.306
local terms energy: -171.568334
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -31.541
flat angles C4'-P-C4' energy: -34.696
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -49.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -501.586656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.586656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.586656 (E_RNA)
where:
Base-Base interactions energy: -348.342
where: short stacking energy: -146.633
Base-Backbone interact. energy: -0.752
local terms energy: -152.493349
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -28.090
flat angles C4'-P-C4' energy: -30.562
flat angles P-C4'-P energy: -24.440
tors. eta vs tors. theta energy: -45.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -389.465079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.465079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.465079 (E_RNA)
where:
Base-Base interactions energy: -245.674
where: short stacking energy: -98.700
Base-Backbone interact. energy: 3.372
local terms energy: -147.162900
where:
bonds (distance) C4'-P energy: -34.776
bonds (distance) P-C4' energy: -33.409
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -25.906
tors. eta vs tors. theta energy: -25.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -342.766561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.766561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.766561 (E_RNA)
where:
Base-Base interactions energy: -226.061
where: short stacking energy: -97.184
Base-Backbone interact. energy: -0.102
local terms energy: -116.604009
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -36.546
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -16.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -305.245000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.245000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.245000 (E_RNA)
where:
Base-Base interactions energy: -181.305
where: short stacking energy: -87.179
Base-Backbone interact. energy: -0.361
local terms energy: -123.578967
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -34.563
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -164.950363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.950363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.950363 (E_RNA)
where:
Base-Base interactions energy: -54.548
where: short stacking energy: -53.271
Base-Backbone interact. energy: -0.354
local terms energy: -110.048678
where:
bonds (distance) C4'-P energy: -30.359
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -33.169
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -146.250618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.250618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.250618 (E_RNA)
where:
Base-Base interactions energy: -49.905
where: short stacking energy: -47.604
Base-Backbone interact. energy: -1.112
local terms energy: -95.233393
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -31.072
flat angles C4'-P-C4' energy: -23.399
flat angles P-C4'-P energy: -19.480
tors. eta vs tors. theta energy: -0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -556.302629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.302629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.302629 (E_RNA)
where:
Base-Base interactions energy: -382.767
where: short stacking energy: -170.169
Base-Backbone interact. energy: -0.444
local terms energy: -173.091219
where:
bonds (distance) C4'-P energy: -34.846
bonds (distance) P-C4' energy: -32.850
flat angles C4'-P-C4' energy: -40.077
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -43.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -569.324618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.324618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.324618 (E_RNA)
where:
Base-Base interactions energy: -385.639
where: short stacking energy: -157.284
Base-Backbone interact. energy: -1.272
local terms energy: -182.413535
where:
bonds (distance) C4'-P energy: -31.555
bonds (distance) P-C4' energy: -34.598
flat angles C4'-P-C4' energy: -37.859
flat angles P-C4'-P energy: -25.557
tors. eta vs tors. theta energy: -52.844
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: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -537.608852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.608852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.608852 (E_RNA)
where:
Base-Base interactions energy: -375.559
where: short stacking energy: -145.520
Base-Backbone interact. energy: -1.938
local terms energy: -160.112133
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -35.737
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -45.299
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: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -530.549088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.549088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.549088 (E_RNA)
where:
Base-Base interactions energy: -353.881
where: short stacking energy: -169.903
Base-Backbone interact. energy: -0.194
local terms energy: -176.758473
where:
bonds (distance) C4'-P energy: -35.692
bonds (distance) P-C4' energy: -30.431
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -19.860
tors. eta vs tors. theta energy: -54.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.284 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -495.361301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.361301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.361301 (E_RNA)
where:
Base-Base interactions energy: -327.597
where: short stacking energy: -151.115
Base-Backbone interact. energy: -0.103
local terms energy: -167.660840
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -33.062
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -26.995
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: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -383.529184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.529184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.529184 (E_RNA)
where:
Base-Base interactions energy: -238.601
where: short stacking energy: -109.672
Base-Backbone interact. energy: -2.023
local terms energy: -142.905385
where:
bonds (distance) C4'-P energy: -34.238
bonds (distance) P-C4' energy: -37.531
flat angles C4'-P-C4' energy: -27.235
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -26.485
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: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -356.652302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.652302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.652302 (E_RNA)
where:
Base-Base interactions energy: -233.275
where: short stacking energy: -107.394
Base-Backbone interact. energy: -0.676
local terms energy: -122.701667
where:
bonds (distance) C4'-P energy: -26.732
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -21.587
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: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -303.214833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.214833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.214833 (E_RNA)
where:
Base-Base interactions energy: -176.066
where: short stacking energy: -72.193
Base-Backbone interact. energy: 2.156
local terms energy: -130.453404
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -28.055
flat angles C4'-P-C4' energy: -34.366
flat angles P-C4'-P energy: -26.704
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.148 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -180.839473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.839473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.839473 (E_RNA)
where:
Base-Base interactions energy: -80.072
where: short stacking energy: -62.612
Base-Backbone interact. energy: 5.319
local terms energy: -106.086171
where:
bonds (distance) C4'-P energy: -36.043
bonds (distance) P-C4' energy: -28.577
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -151.295787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.295787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.295787 (E_RNA)
where:
Base-Base interactions energy: -48.771
where: short stacking energy: -45.582
Base-Backbone interact. energy: -0.649
local terms energy: -101.875472
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -548.661049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.661049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.661049 (E_RNA)
where:
Base-Base interactions energy: -364.454
where: short stacking energy: -161.433
Base-Backbone interact. energy: -0.208
local terms energy: -183.998989
where:
bonds (distance) C4'-P energy: -34.185
bonds (distance) P-C4' energy: -40.765
flat angles C4'-P-C4' energy: -36.876
flat angles P-C4'-P energy: -29.789
tors. eta vs tors. theta energy: -42.383
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: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -552.408623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.408623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.408623 (E_RNA)
where:
Base-Base interactions energy: -382.927
where: short stacking energy: -174.166
Base-Backbone interact. energy: -0.038
local terms energy: -169.443224
where:
bonds (distance) C4'-P energy: -29.874
bonds (distance) P-C4' energy: -34.932
flat angles C4'-P-C4' energy: -32.123
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -49.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -554.066831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.066831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.066831 (E_RNA)
where:
Base-Base interactions energy: -370.560
where: short stacking energy: -162.370
Base-Backbone interact. energy: -0.234
local terms energy: -183.272957
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -38.544
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -25.385
tors. eta vs tors. theta energy: -52.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -518.873510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.873510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.873510 (E_RNA)
where:
Base-Base interactions energy: -338.297
where: short stacking energy: -144.771
Base-Backbone interact. energy: -0.158
local terms energy: -180.418969
where:
bonds (distance) C4'-P energy: -34.818
bonds (distance) P-C4' energy: -34.207
flat angles C4'-P-C4' energy: -38.434
flat angles P-C4'-P energy: -26.980
tors. eta vs tors. theta energy: -45.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -499.943779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.943779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.943779 (E_RNA)
where:
Base-Base interactions energy: -336.114
where: short stacking energy: -151.573
Base-Backbone interact. energy: -0.579
local terms energy: -163.250566
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -49.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -401.416611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.416611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.416611 (E_RNA)
where:
Base-Base interactions energy: -276.085
where: short stacking energy: -107.043
Base-Backbone interact. energy: -0.259
local terms energy: -125.072500
where:
bonds (distance) C4'-P energy: -27.073
bonds (distance) P-C4' energy: -35.200
flat angles C4'-P-C4' energy: -27.334
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -20.176
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: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -392.848319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.848319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.848319 (E_RNA)
where:
Base-Base interactions energy: -262.852
where: short stacking energy: -114.863
Base-Backbone interact. energy: -0.414
local terms energy: -129.582052
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -30.779
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: -32.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -303.521703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.521703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.521703 (E_RNA)
where:
Base-Base interactions energy: -179.157
where: short stacking energy: -75.952
Base-Backbone interact. energy: -0.776
local terms energy: -124.681422
where:
bonds (distance) C4'-P energy: -33.261
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -31.598
flat angles P-C4'-P energy: -22.731
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: 1.093 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -162.674315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.674315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.674315 (E_RNA)
where:
Base-Base interactions energy: -60.901
where: short stacking energy: -57.741
Base-Backbone interact. energy: 1.274
local terms energy: -103.047994
where:
bonds (distance) C4'-P energy: -28.218
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -148.440538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.440538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.440538 (E_RNA)
where:
Base-Base interactions energy: -50.938
where: short stacking energy: -41.474
Base-Backbone interact. energy: -0.117
local terms energy: -97.384824
where:
bonds (distance) C4'-P energy: -31.308
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -561.495952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.495952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.495952 (E_RNA)
where:
Base-Base interactions energy: -383.174
where: short stacking energy: -159.751
Base-Backbone interact. energy: 0.140
local terms energy: -178.461627
where:
bonds (distance) C4'-P energy: -34.934
bonds (distance) P-C4' energy: -35.088
flat angles C4'-P-C4' energy: -39.607
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -47.994
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: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -530.800036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.800036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.800036 (E_RNA)
where:
Base-Base interactions energy: -358.608
where: short stacking energy: -149.858
Base-Backbone interact. energy: 0.763
local terms energy: -172.954737
where:
bonds (distance) C4'-P energy: -34.118
bonds (distance) P-C4' energy: -34.619
flat angles C4'-P-C4' energy: -33.358
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -44.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -559.079817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.079817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.079817 (E_RNA)
where:
Base-Base interactions energy: -381.309
where: short stacking energy: -159.783
Base-Backbone interact. energy: -0.113
local terms energy: -178.779267
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -35.472
flat angles C4'-P-C4' energy: -32.957
flat angles P-C4'-P energy: -26.488
tors. eta vs tors. theta energy: -49.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.122 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -538.211648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.211648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.211648 (E_RNA)
where:
Base-Base interactions energy: -363.441
where: short stacking energy: -162.479
Base-Backbone interact. energy: -0.749
local terms energy: -174.021912
where:
bonds (distance) C4'-P energy: -30.661
bonds (distance) P-C4' energy: -33.355
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -47.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -491.298271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.298271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.298271 (E_RNA)
where:
Base-Base interactions energy: -341.500
where: short stacking energy: -150.367
Base-Backbone interact. energy: -0.162
local terms energy: -150.122345
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -36.246
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -45.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.485 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -405.050780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.050780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.050780 (E_RNA)
where:
Base-Base interactions energy: -266.382
where: short stacking energy: -115.652
Base-Backbone interact. energy: -1.663
local terms energy: -137.034992
where:
bonds (distance) C4'-P energy: -30.454
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -29.710
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -29.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -326.819866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.819866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.819866 (E_RNA)
where:
Base-Base interactions energy: -190.543
where: short stacking energy: -97.440
Base-Backbone interact. energy: -0.239
local terms energy: -136.037822
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -30.969
flat angles C4'-P-C4' energy: -27.207
flat angles P-C4'-P energy: -19.684
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: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -296.674292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.674292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.674292 (E_RNA)
where:
Base-Base interactions energy: -184.617
where: short stacking energy: -82.956
Base-Backbone interact. energy: -0.758
local terms energy: -111.299957
where:
bonds (distance) C4'-P energy: -30.446
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -12.528
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: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -170.425234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.425234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.425234 (E_RNA)
where:
Base-Base interactions energy: -64.783
where: short stacking energy: -52.425
Base-Backbone interact. energy: -0.930
local terms energy: -104.712231
where:
bonds (distance) C4'-P energy: -26.276
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -32.325
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -168.528687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.528687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.528687 (E_RNA)
where:
Base-Base interactions energy: -72.026
where: short stacking energy: -53.649
Base-Backbone interact. energy: -0.622
local terms energy: -95.880981
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -26.165
flat angles C4'-P-C4' energy: -29.712
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -566.011208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.011208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.011208 (E_RNA)
where:
Base-Base interactions energy: -378.952
where: short stacking energy: -157.392
Base-Backbone interact. energy: -0.183
local terms energy: -186.876094
where:
bonds (distance) C4'-P energy: -32.457
bonds (distance) P-C4' energy: -38.958
flat angles C4'-P-C4' energy: -40.771
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -46.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -543.133651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.133651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.133651 (E_RNA)
where:
Base-Base interactions energy: -367.724
where: short stacking energy: -146.996
Base-Backbone interact. energy: 0.468
local terms energy: -175.877031
where:
bonds (distance) C4'-P energy: -38.659
bonds (distance) P-C4' energy: -33.998
flat angles C4'-P-C4' energy: -36.433
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -47.312
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: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -564.447111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.447111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.447111 (E_RNA)
where:
Base-Base interactions energy: -383.306
where: short stacking energy: -163.894
Base-Backbone interact. energy: -0.008
local terms energy: -181.132367
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -31.926
flat angles C4'-P-C4' energy: -31.950
flat angles P-C4'-P energy: -28.471
tors. eta vs tors. theta energy: -54.352
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: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -500.931682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.931682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.931682 (E_RNA)
where:
Base-Base interactions energy: -341.868
where: short stacking energy: -145.070
Base-Backbone interact. energy: -0.615
local terms energy: -158.448775
where:
bonds (distance) C4'-P energy: -27.986
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -38.781
flat angles P-C4'-P energy: -25.487
tors. eta vs tors. theta energy: -44.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -487.761322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.761322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.761322 (E_RNA)
where:
Base-Base interactions energy: -326.673
where: short stacking energy: -131.762
Base-Backbone interact. energy: -1.327
local terms energy: -159.760714
where:
bonds (distance) C4'-P energy: -32.040
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -30.226
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -40.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -408.611655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.611655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.611655 (E_RNA)
where:
Base-Base interactions energy: -268.849
where: short stacking energy: -103.513
Base-Backbone interact. energy: -0.773
local terms energy: -138.988758
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -36.846
flat angles C4'-P-C4' energy: -29.807
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -26.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -327.579295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.579295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.579295 (E_RNA)
where:
Base-Base interactions energy: -196.274
where: short stacking energy: -90.724
Base-Backbone interact. energy: -0.530
local terms energy: -131.329213
where:
bonds (distance) C4'-P energy: -32.749
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -27.706
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -24.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.554 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -318.180404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.180404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.180404 (E_RNA)
where:
Base-Base interactions energy: -176.359
where: short stacking energy: -85.989
Base-Backbone interact. energy: -0.443
local terms energy: -141.377953
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -24.434
tors. eta vs tors. theta energy: -22.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -155.436069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.436069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.436069 (E_RNA)
where:
Base-Base interactions energy: -63.642
where: short stacking energy: -61.885
Base-Backbone interact. energy: -0.207
local terms energy: -91.587508
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -32.218
flat angles C4'-P-C4' energy: -24.009
flat angles P-C4'-P energy: -15.850
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -157.013059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.013059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.013059 (E_RNA)
where:
Base-Base interactions energy: -66.206
where: short stacking energy: -55.071
Base-Backbone interact. energy: -0.705
local terms energy: -90.102171
where:
bonds (distance) C4'-P energy: -27.396
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: 0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -574.793798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.793798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.793798 (E_RNA)
where:
Base-Base interactions energy: -397.436
where: short stacking energy: -174.421
Base-Backbone interact. energy: -0.171
local terms energy: -177.186867
where:
bonds (distance) C4'-P energy: -30.375
bonds (distance) P-C4' energy: -34.036
flat angles C4'-P-C4' energy: -36.894
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -53.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -581.432447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.432447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.432447 (E_RNA)
where:
Base-Base interactions energy: -382.030
where: short stacking energy: -169.703
Base-Backbone interact. energy: -0.007
local terms energy: -199.394646
where:
bonds (distance) C4'-P energy: -36.013
bonds (distance) P-C4' energy: -38.695
flat angles C4'-P-C4' energy: -43.847
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -54.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -531.947068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.947068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.947068 (E_RNA)
where:
Base-Base interactions energy: -360.960
where: short stacking energy: -147.924
Base-Backbone interact. energy: -1.202
local terms energy: -169.785101
where:
bonds (distance) C4'-P energy: -35.464
bonds (distance) P-C4' energy: -30.559
flat angles C4'-P-C4' energy: -37.643
flat angles P-C4'-P energy: -22.896
tors. eta vs tors. theta energy: -43.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -513.329413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.329413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.329413 (E_RNA)
where:
Base-Base interactions energy: -354.186
where: short stacking energy: -152.467
Base-Backbone interact. energy: -0.887
local terms energy: -158.256281
where:
bonds (distance) C4'-P energy: -33.614
bonds (distance) P-C4' energy: -29.658
flat angles C4'-P-C4' energy: -33.590
flat angles P-C4'-P energy: -20.187
tors. eta vs tors. theta energy: -41.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -490.743674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.743674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.743674 (E_RNA)
where:
Base-Base interactions energy: -325.572
where: short stacking energy: -145.228
Base-Backbone interact. energy: -0.711
local terms energy: -164.460952
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -29.132
flat angles C4'-P-C4' energy: -35.655
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -48.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -414.673198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.673198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.673198 (E_RNA)
where:
Base-Base interactions energy: -273.756
where: short stacking energy: -112.110
Base-Backbone interact. energy: 2.343
local terms energy: -143.259902
where:
bonds (distance) C4'-P energy: -28.797
bonds (distance) P-C4' energy: -32.344
flat angles C4'-P-C4' energy: -34.745
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -31.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -323.186604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.186604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.186604 (E_RNA)
where:
Base-Base interactions energy: -195.581
where: short stacking energy: -82.614
Base-Backbone interact. energy: -0.382
local terms energy: -127.470297
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -32.312
flat angles C4'-P-C4' energy: -31.117
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -11.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.247 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -167.962875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.962875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.962875 (E_RNA)
where:
Base-Base interactions energy: -65.599
where: short stacking energy: -50.568
Base-Backbone interact. energy: -0.249
local terms energy: -102.115404
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -29.167
flat angles C4'-P-C4' energy: -26.108
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -272.056877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.056877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.056877 (E_RNA)
where:
Base-Base interactions energy: -158.089
where: short stacking energy: -85.799
Base-Backbone interact. energy: -0.839
local terms energy: -113.128918
where:
bonds (distance) C4'-P energy: -33.823
bonds (distance) P-C4' energy: -28.650
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -150.540766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.540766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.540766 (E_RNA)
where:
Base-Base interactions energy: -65.293
where: short stacking energy: -45.847
Base-Backbone interact. energy: -1.140
local terms energy: -84.107400
where:
bonds (distance) C4'-P energy: -26.972
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -28.194
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -8.283
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: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -592.624183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.624183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.624183 (E_RNA)
where:
Base-Base interactions energy: -414.384
where: short stacking energy: -174.526
Base-Backbone interact. energy: -0.025
local terms energy: -178.214335
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -36.673
flat angles C4'-P-C4' energy: -38.743
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: -48.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -559.178256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.178256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.178256 (E_RNA)
where:
Base-Base interactions energy: -379.577
where: short stacking energy: -161.303
Base-Backbone interact. energy: -0.029
local terms energy: -179.572017
where:
bonds (distance) C4'-P energy: -32.905
bonds (distance) P-C4' energy: -34.368
flat angles C4'-P-C4' energy: -38.067
flat angles P-C4'-P energy: -22.607
tors. eta vs tors. theta energy: -51.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -517.154012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.154012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.154012 (E_RNA)
where:
Base-Base interactions energy: -346.618
where: short stacking energy: -138.384
Base-Backbone interact. energy: 0.145
local terms energy: -170.852700
where:
bonds (distance) C4'-P energy: -31.466
bonds (distance) P-C4' energy: -36.706
flat angles C4'-P-C4' energy: -34.031
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -45.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.172 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -504.472526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.472526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.472526 (E_RNA)
where:
Base-Base interactions energy: -324.434
where: short stacking energy: -154.522
Base-Backbone interact. energy: -0.864
local terms energy: -179.174487
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -39.175
flat angles C4'-P-C4' energy: -40.626
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: -47.239
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: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -500.825142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.825142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.825142 (E_RNA)
where:
Base-Base interactions energy: -333.611
where: short stacking energy: -144.621
Base-Backbone interact. energy: -0.205
local terms energy: -167.008681
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -31.048
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -48.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -386.187091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.187091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.187091 (E_RNA)
where:
Base-Base interactions energy: -232.668
where: short stacking energy: -115.162
Base-Backbone interact. energy: -0.214
local terms energy: -153.305238
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -36.221
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -29.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -340.923738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.923738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.923738 (E_RNA)
where:
Base-Base interactions energy: -215.512
where: short stacking energy: -109.884
Base-Backbone interact. energy: 1.120
local terms energy: -126.532182
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -29.592
flat angles C4'-P-C4' energy: -26.856
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -170.535406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.535406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.535406 (E_RNA)
where:
Base-Base interactions energy: -57.821
where: short stacking energy: -48.511
Base-Backbone interact. energy: -1.230
local terms energy: -111.484293
where:
bonds (distance) C4'-P energy: -29.220
bonds (distance) P-C4' energy: -33.608
flat angles C4'-P-C4' energy: -28.531
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -4.208
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: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -296.070185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.070185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.070185 (E_RNA)
where:
Base-Base interactions energy: -179.296
where: short stacking energy: -92.617
Base-Backbone interact. energy: 0.394
local terms energy: -118.145806
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -28.746
flat angles P-C4'-P energy: -22.133
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.977 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -151.071947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.071947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.071947 (E_RNA)
where:
Base-Base interactions energy: -61.439
where: short stacking energy: -52.216
Base-Backbone interact. energy: 0.424
local terms energy: -90.056581
where:
bonds (distance) C4'-P energy: -26.633
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: 1.028
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: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -575.833467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.833467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.833467 (E_RNA)
where:
Base-Base interactions energy: -403.236
where: short stacking energy: -161.455
Base-Backbone interact. energy: -0.367
local terms energy: -172.230470
where:
bonds (distance) C4'-P energy: -30.229
bonds (distance) P-C4' energy: -37.284
flat angles C4'-P-C4' energy: -35.215
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -48.257
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: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -557.045898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.045898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.045898 (E_RNA)
where:
Base-Base interactions energy: -386.241
where: short stacking energy: -173.783
Base-Backbone interact. energy: -0.024
local terms energy: -170.780471
where:
bonds (distance) C4'-P energy: -31.770
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: -53.207
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: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -507.541331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.541331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.541331 (E_RNA)
where:
Base-Base interactions energy: -353.811
where: short stacking energy: -136.028
Base-Backbone interact. energy: 0.972
local terms energy: -154.702041
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -31.319
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -41.419
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: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -512.640613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.640613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.640613 (E_RNA)
where:
Base-Base interactions energy: -350.257
where: short stacking energy: -149.655
Base-Backbone interact. energy: -0.898
local terms energy: -161.485831
where:
bonds (distance) C4'-P energy: -30.284
bonds (distance) P-C4' energy: -29.490
flat angles C4'-P-C4' energy: -34.234
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -43.898
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: 219
Temperature: 1.100000
Total energy: -504.000450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.000450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.000450 (E_RNA)
where:
Base-Base interactions energy: -329.672
where: short stacking energy: -149.397
Base-Backbone interact. energy: -0.671
local terms energy: -173.657703
where:
bonds (distance) C4'-P energy: -27.320
bonds (distance) P-C4' energy: -32.244
flat angles C4'-P-C4' energy: -42.301
flat angles P-C4'-P energy: -26.253
tors. eta vs tors. theta energy: -45.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -394.067311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.067311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.067311 (E_RNA)
where:
Base-Base interactions energy: -241.117
where: short stacking energy: -109.383
Base-Backbone interact. energy: 0.599
local terms energy: -153.549579
where:
bonds (distance) C4'-P energy: -30.760
bonds (distance) P-C4' energy: -33.700
flat angles C4'-P-C4' energy: -33.431
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -32.518
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: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -352.060773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.060773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.060773 (E_RNA)
where:
Base-Base interactions energy: -225.424
where: short stacking energy: -109.288
Base-Backbone interact. energy: -0.272
local terms energy: -126.364674
where:
bonds (distance) C4'-P energy: -22.718
bonds (distance) P-C4' energy: -33.119
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -28.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -305.378190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.378190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.378190 (E_RNA)
where:
Base-Base interactions energy: -173.040
where: short stacking energy: -106.849
Base-Backbone interact. energy: -1.041
local terms energy: -131.297462
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -28.960
flat angles C4'-P-C4' energy: -28.707
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -177.393556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.393556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.393556 (E_RNA)
where:
Base-Base interactions energy: -67.235
where: short stacking energy: -49.718
Base-Backbone interact. energy: -1.402
local terms energy: -108.756439
where:
bonds (distance) C4'-P energy: -26.116
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -26.795
flat angles P-C4'-P energy: -17.396
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -150.109392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.109392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.109392 (E_RNA)
where:
Base-Base interactions energy: -45.173
where: short stacking energy: -25.422
Base-Backbone interact. energy: 0.330
local terms energy: -105.266070
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -32.310
flat angles C4'-P-C4' energy: -26.072
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -577.139277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.139277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.139277 (E_RNA)
where:
Base-Base interactions energy: -400.111
where: short stacking energy: -164.864
Base-Backbone interact. energy: -0.191
local terms energy: -176.836983
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -33.782
flat angles C4'-P-C4' energy: -33.525
flat angles P-C4'-P energy: -29.597
tors. eta vs tors. theta energy: -51.021
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: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -549.228431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.228431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.228431 (E_RNA)
where:
Base-Base interactions energy: -369.670
where: short stacking energy: -162.088
Base-Backbone interact. energy: -0.063
local terms energy: -179.495399
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -32.321
flat angles C4'-P-C4' energy: -35.659
flat angles P-C4'-P energy: -24.177
tors. eta vs tors. theta energy: -50.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -531.872198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.872198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.872198 (E_RNA)
where:
Base-Base interactions energy: -365.107
where: short stacking energy: -152.810
Base-Backbone interact. energy: -1.215
local terms energy: -165.550209
where:
bonds (distance) C4'-P energy: -35.329
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -38.159
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -47.617
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: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -485.685953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.685953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.685953 (E_RNA)
where:
Base-Base interactions energy: -328.851
where: short stacking energy: -127.715
Base-Backbone interact. energy: -0.678
local terms energy: -156.156737
where:
bonds (distance) C4'-P energy: -31.364
bonds (distance) P-C4' energy: -33.369
flat angles C4'-P-C4' energy: -34.299
flat angles P-C4'-P energy: -18.602
tors. eta vs tors. theta energy: -38.522
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: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -498.701911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.701911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.701911 (E_RNA)
where:
Base-Base interactions energy: -335.492
where: short stacking energy: -157.636
Base-Backbone interact. energy: -0.773
local terms energy: -162.436456
where:
bonds (distance) C4'-P energy: -29.588
bonds (distance) P-C4' energy: -39.012
flat angles C4'-P-C4' energy: -29.092
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: -44.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -385.038981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.038981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.038981 (E_RNA)
where:
Base-Base interactions energy: -252.810
where: short stacking energy: -115.172
Base-Backbone interact. energy: -0.342
local terms energy: -132.377532
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -30.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.490 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -388.263949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.263949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.263949 (E_RNA)
where:
Base-Base interactions energy: -255.649
where: short stacking energy: -124.744
Base-Backbone interact. energy: -0.132
local terms energy: -133.666832
where:
bonds (distance) C4'-P energy: -34.913
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -26.850
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -29.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.184 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -320.087925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.087925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.087925 (E_RNA)
where:
Base-Base interactions energy: -186.594
where: short stacking energy: -105.472
Base-Backbone interact. energy: -0.454
local terms energy: -133.040179
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -29.679
flat angles C4'-P-C4' energy: -34.400
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -157.532912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.532912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.532912 (E_RNA)
where:
Base-Base interactions energy: -64.208
where: short stacking energy: -51.340
Base-Backbone interact. energy: 0.470
local terms energy: -93.795159
where:
bonds (distance) C4'-P energy: -31.704
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -27.633
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: 2.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -170.139697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.139697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.139697 (E_RNA)
where:
Base-Base interactions energy: -64.212
where: short stacking energy: -52.877
Base-Backbone interact. energy: -1.850
local terms energy: -104.077673
where:
bonds (distance) C4'-P energy: -30.424
bonds (distance) P-C4' energy: -35.498
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: 2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -576.499625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.499625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.499625 (E_RNA)
where:
Base-Base interactions energy: -397.133
where: short stacking energy: -166.639
Base-Backbone interact. energy: -0.670
local terms energy: -178.696693
where:
bonds (distance) C4'-P energy: -34.610
bonds (distance) P-C4' energy: -31.895
flat angles C4'-P-C4' energy: -39.839
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -51.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -545.201059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.201059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.201059 (E_RNA)
where:
Base-Base interactions energy: -382.332
where: short stacking energy: -147.064
Base-Backbone interact. energy: 0.272
local terms energy: -165.472045
where:
bonds (distance) C4'-P energy: -31.424
bonds (distance) P-C4' energy: -34.571
flat angles C4'-P-C4' energy: -35.659
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: -39.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.331 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -544.373856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.373856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.373856 (E_RNA)
where:
Base-Base interactions energy: -376.530
where: short stacking energy: -162.087
Base-Backbone interact. energy: -0.160
local terms energy: -167.683700
where:
bonds (distance) C4'-P energy: -33.457
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -52.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -512.468694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.468694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.468694 (E_RNA)
where:
Base-Base interactions energy: -342.701
where: short stacking energy: -145.078
Base-Backbone interact. energy: -0.819
local terms energy: -168.948568
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -36.262
flat angles C4'-P-C4' energy: -35.542
flat angles P-C4'-P energy: -26.588
tors. eta vs tors. theta energy: -43.303
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -487.266483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.266483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.266483 (E_RNA)
where:
Base-Base interactions energy: -327.233
where: short stacking energy: -139.907
Base-Backbone interact. energy: -0.997
local terms energy: -159.036695
where:
bonds (distance) C4'-P energy: -26.914
bonds (distance) P-C4' energy: -39.897
flat angles C4'-P-C4' energy: -27.078
flat angles P-C4'-P energy: -24.107
tors. eta vs tors. theta energy: -41.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -427.555554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.555554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.555554 (E_RNA)
where:
Base-Base interactions energy: -279.902
where: short stacking energy: -128.743
Base-Backbone interact. energy: -0.099
local terms energy: -147.554388
where:
bonds (distance) C4'-P energy: -32.044
bonds (distance) P-C4' energy: -34.070
flat angles C4'-P-C4' energy: -31.556
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -35.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -390.992548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.992548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.992548 (E_RNA)
where:
Base-Base interactions energy: -242.898
where: short stacking energy: -120.505
Base-Backbone interact. energy: -0.321
local terms energy: -147.774025
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -34.127
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -37.827
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: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -310.305421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.305421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.305421 (E_RNA)
where:
Base-Base interactions energy: -187.863
where: short stacking energy: -87.425
Base-Backbone interact. energy: -0.500
local terms energy: -121.942447
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -158.921636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.921636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.921636 (E_RNA)
where:
Base-Base interactions energy: -57.410
where: short stacking energy: -49.064
Base-Backbone interact. energy: -1.101
local terms energy: -100.410066
where:
bonds (distance) C4'-P energy: -27.982
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -154.327699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.327699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.327699 (E_RNA)
where:
Base-Base interactions energy: -62.536
where: short stacking energy: -63.001
Base-Backbone interact. energy: -0.559
local terms energy: -91.233172
where:
bonds (distance) C4'-P energy: -21.818
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -578.449787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.449787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.449787 (E_RNA)
where:
Base-Base interactions energy: -407.651
where: short stacking energy: -165.949
Base-Backbone interact. energy: -0.663
local terms energy: -170.135951
where:
bonds (distance) C4'-P energy: -32.139
bonds (distance) P-C4' energy: -34.510
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -17.747
tors. eta vs tors. theta energy: -49.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -535.327269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.327269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.327269 (E_RNA)
where:
Base-Base interactions energy: -361.687
where: short stacking energy: -149.569
Base-Backbone interact. energy: -0.182
local terms energy: -173.458402
where:
bonds (distance) C4'-P energy: -36.066
bonds (distance) P-C4' energy: -36.311
flat angles C4'-P-C4' energy: -39.160
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -40.111
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: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -522.924262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.924262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.924262 (E_RNA)
where:
Base-Base interactions energy: -366.141
where: short stacking energy: -166.410
Base-Backbone interact. energy: -0.764
local terms energy: -156.019327
where:
bonds (distance) C4'-P energy: -28.141
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -31.230
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -46.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -543.155922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.155922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.155922 (E_RNA)
where:
Base-Base interactions energy: -370.185
where: short stacking energy: -161.322
Base-Backbone interact. energy: -0.078
local terms energy: -174.591021
where:
bonds (distance) C4'-P energy: -31.748
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -37.131
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: -51.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.697 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -488.582270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.582270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.582270 (E_RNA)
where:
Base-Base interactions energy: -326.588
where: short stacking energy: -145.488
Base-Backbone interact. energy: 1.054
local terms energy: -163.048003
where:
bonds (distance) C4'-P energy: -30.744
bonds (distance) P-C4' energy: -29.941
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -45.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -432.988025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.988025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.988025 (E_RNA)
where:
Base-Base interactions energy: -284.434
where: short stacking energy: -121.362
Base-Backbone interact. energy: -1.905
local terms energy: -146.649138
where:
bonds (distance) C4'-P energy: -33.681
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -25.955
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -31.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -311.560320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.560320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.560320 (E_RNA)
where:
Base-Base interactions energy: -190.080
where: short stacking energy: -91.299
Base-Backbone interact. energy: 0.248
local terms energy: -121.841492
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.114 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -310.398171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.398171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.398171 (E_RNA)
where:
Base-Base interactions energy: -171.859
where: short stacking energy: -80.891
Base-Backbone interact. energy: 1.521
local terms energy: -140.268103
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -30.988
flat angles C4'-P-C4' energy: -34.779
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.208 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -173.621891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.621891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.621891 (E_RNA)
where:
Base-Base interactions energy: -71.637
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.433
local terms energy: -101.551815
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -33.130
flat angles C4'-P-C4' energy: -30.323
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: 3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -138.806579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.806579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.806579 (E_RNA)
where:
Base-Base interactions energy: -40.904
where: short stacking energy: -40.568
Base-Backbone interact. energy: 0.662
local terms energy: -98.565247
where:
bonds (distance) C4'-P energy: -36.734
bonds (distance) P-C4' energy: -34.343
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -572.161371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.161371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.161371 (E_RNA)
where:
Base-Base interactions energy: -391.504
where: short stacking energy: -154.943
Base-Backbone interact. energy: -0.265
local terms energy: -180.391946
where:
bonds (distance) C4'-P energy: -35.674
bonds (distance) P-C4' energy: -34.356
flat angles C4'-P-C4' energy: -39.280
flat angles P-C4'-P energy: -27.077
tors. eta vs tors. theta energy: -44.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -565.415668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.415668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.415668 (E_RNA)
where:
Base-Base interactions energy: -381.323
where: short stacking energy: -173.881
Base-Backbone interact. energy: -0.243
local terms energy: -183.850086
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -34.850
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -25.128
tors. eta vs tors. theta energy: -56.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -540.920123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.920123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.920123 (E_RNA)
where:
Base-Base interactions energy: -375.527
where: short stacking energy: -156.252
Base-Backbone interact. energy: -1.742
local terms energy: -163.650885
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -33.908
flat angles C4'-P-C4' energy: -39.409
flat angles P-C4'-P energy: -25.120
tors. eta vs tors. theta energy: -42.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -544.093341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.093341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.093341 (E_RNA)
where:
Base-Base interactions energy: -370.974
where: short stacking energy: -153.609
Base-Backbone interact. energy: -0.342
local terms energy: -172.960199
where:
bonds (distance) C4'-P energy: -31.925
bonds (distance) P-C4' energy: -31.047
flat angles C4'-P-C4' energy: -33.519
flat angles P-C4'-P energy: -28.151
tors. eta vs tors. theta energy: -48.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.184 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -487.448500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.448500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.448500 (E_RNA)
where:
Base-Base interactions energy: -324.326
where: short stacking energy: -139.255
Base-Backbone interact. energy: -0.974
local terms energy: -162.148197
where:
bonds (distance) C4'-P energy: -30.137
bonds (distance) P-C4' energy: -37.376
flat angles C4'-P-C4' energy: -31.781
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -40.448
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: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -424.231351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.231351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.231351 (E_RNA)
where:
Base-Base interactions energy: -285.326
where: short stacking energy: -134.508
Base-Backbone interact. energy: 0.793
local terms energy: -141.099072
where:
bonds (distance) C4'-P energy: -25.156
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -29.758
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -36.725
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: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -324.516599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.516599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.516599 (E_RNA)
where:
Base-Base interactions energy: -205.501
where: short stacking energy: -107.857
Base-Backbone interact. energy: 2.013
local terms energy: -121.028535
where:
bonds (distance) C4'-P energy: -26.714
bonds (distance) P-C4' energy: -26.613
flat angles C4'-P-C4' energy: -30.668
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -18.627
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: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -304.270827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.270827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.270827 (E_RNA)
where:
Base-Base interactions energy: -173.443
where: short stacking energy: -96.134
Base-Backbone interact. energy: 0.457
local terms energy: -131.284143
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -38.088
flat angles C4'-P-C4' energy: -31.787
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -156.891285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.891285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.891285 (E_RNA)
where:
Base-Base interactions energy: -51.492
where: short stacking energy: -45.204
Base-Backbone interact. energy: 0.726
local terms energy: -106.124706
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -27.913
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -146.679964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.679964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.679964 (E_RNA)
where:
Base-Base interactions energy: -62.770
where: short stacking energy: -39.891
Base-Backbone interact. energy: 3.597
local terms energy: -87.506591
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -28.193
flat angles C4'-P-C4' energy: -27.814
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: 5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -573.761107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.761107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.761107 (E_RNA)
where:
Base-Base interactions energy: -390.973
where: short stacking energy: -185.093
Base-Backbone interact. energy: -0.002
local terms energy: -182.895667
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -38.439
flat angles P-C4'-P energy: -26.713
tors. eta vs tors. theta energy: -61.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.109 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -539.520481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.520481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.520481 (E_RNA)
where:
Base-Base interactions energy: -369.966
where: short stacking energy: -152.083
Base-Backbone interact. energy: 0.859
local terms energy: -170.413230
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -32.916
flat angles C4'-P-C4' energy: -34.829
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -42.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -538.836990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.836990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.836990 (E_RNA)
where:
Base-Base interactions energy: -364.990
where: short stacking energy: -156.832
Base-Backbone interact. energy: -0.369
local terms energy: -173.477908
where:
bonds (distance) C4'-P energy: -35.742
bonds (distance) P-C4' energy: -30.977
flat angles C4'-P-C4' energy: -33.306
flat angles P-C4'-P energy: -28.743
tors. eta vs tors. theta energy: -44.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -536.114162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.114162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.114162 (E_RNA)
where:
Base-Base interactions energy: -359.160
where: short stacking energy: -155.603
Base-Backbone interact. energy: -0.037
local terms energy: -177.435592
where:
bonds (distance) C4'-P energy: -32.710
bonds (distance) P-C4' energy: -37.506
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -50.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.518 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -468.863642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.863642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.863642 (E_RNA)
where:
Base-Base interactions energy: -308.961
where: short stacking energy: -130.557
Base-Backbone interact. energy: -0.661
local terms energy: -159.241208
where:
bonds (distance) C4'-P energy: -32.632
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -34.724
flat angles P-C4'-P energy: -25.815
tors. eta vs tors. theta energy: -39.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -423.087085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.087085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.087085 (E_RNA)
where:
Base-Base interactions energy: -287.551
where: short stacking energy: -124.083
Base-Backbone interact. energy: -0.906
local terms energy: -134.630303
where:
bonds (distance) C4'-P energy: -33.145
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -27.193
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -28.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -289.509424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.509424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.509424 (E_RNA)
where:
Base-Base interactions energy: -154.956
where: short stacking energy: -90.332
Base-Backbone interact. energy: -0.253
local terms energy: -134.300141
where:
bonds (distance) C4'-P energy: -34.992
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -20.788
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -313.667167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.667167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.667167 (E_RNA)
where:
Base-Base interactions energy: -196.614
where: short stacking energy: -79.728
Base-Backbone interact. energy: 3.111
local terms energy: -120.163764
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -29.872
flat angles C4'-P-C4' energy: -33.146
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -154.726941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.726941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.726941 (E_RNA)
where:
Base-Base interactions energy: -47.588
where: short stacking energy: -37.286
Base-Backbone interact. energy: -0.900
local terms energy: -106.591237
where:
bonds (distance) C4'-P energy: -30.798
bonds (distance) P-C4' energy: -34.590
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.352 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -154.161248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.161248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.161248 (E_RNA)
where:
Base-Base interactions energy: -47.111
where: short stacking energy: -41.819
Base-Backbone interact. energy: -0.080
local terms energy: -106.971158
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -35.907
flat angles C4'-P-C4' energy: -27.237
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: 3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -568.567770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.567770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.567770 (E_RNA)
where:
Base-Base interactions energy: -370.123
where: short stacking energy: -173.358
Base-Backbone interact. energy: -0.112
local terms energy: -198.333192
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -37.621
flat angles C4'-P-C4' energy: -37.776
flat angles P-C4'-P energy: -30.163
tors. eta vs tors. theta energy: -57.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -534.791328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.791328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.791328 (E_RNA)
where:
Base-Base interactions energy: -374.285
where: short stacking energy: -160.550
Base-Backbone interact. energy: 0.433
local terms energy: -160.939622
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -49.664
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: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -539.888917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.888917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.888917 (E_RNA)
where:
Base-Base interactions energy: -368.718
where: short stacking energy: -153.446
Base-Backbone interact. energy: -0.165
local terms energy: -171.005944
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -33.992
flat angles C4'-P-C4' energy: -39.221
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -41.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -487.905744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.905744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.905744 (E_RNA)
where:
Base-Base interactions energy: -335.400
where: short stacking energy: -148.317
Base-Backbone interact. energy: -0.779
local terms energy: -151.726303
where:
bonds (distance) C4'-P energy: -23.424
bonds (distance) P-C4' energy: -30.948
flat angles C4'-P-C4' energy: -34.706
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: -40.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -526.081639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.081639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.081639 (E_RNA)
where:
Base-Base interactions energy: -364.232
where: short stacking energy: -150.122
Base-Backbone interact. energy: -0.194
local terms energy: -163.779163
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -30.566
flat angles C4'-P-C4' energy: -37.387
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: -46.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.123 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -438.316376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.316376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.316376 (E_RNA)
where:
Base-Base interactions energy: -292.338
where: short stacking energy: -132.765
Base-Backbone interact. energy: -0.861
local terms energy: -145.117548
where:
bonds (distance) C4'-P energy: -29.140
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -33.341
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -34.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -275.808468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.808468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.808468 (E_RNA)
where:
Base-Base interactions energy: -151.005
where: short stacking energy: -86.616
Base-Backbone interact. energy: 0.280
local terms energy: -125.083509
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -30.653
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -9.781
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: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -275.827143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.827143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.827143 (E_RNA)
where:
Base-Base interactions energy: -165.873
where: short stacking energy: -77.794
Base-Backbone interact. energy: -1.547
local terms energy: -108.407084
where:
bonds (distance) C4'-P energy: -32.242
bonds (distance) P-C4' energy: -32.595
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -10.328
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: 225
Temperature: 1.300000
Total energy: -158.889326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.889326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.889326 (E_RNA)
where:
Base-Base interactions energy: -48.361
where: short stacking energy: -43.655
Base-Backbone interact. energy: -0.283
local terms energy: -110.246278
where:
bonds (distance) C4'-P energy: -29.284
bonds (distance) P-C4' energy: -36.359
flat angles C4'-P-C4' energy: -29.112
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: 5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -165.004869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.004869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.004869 (E_RNA)
where:
Base-Base interactions energy: -69.940
where: short stacking energy: -49.074
Base-Backbone interact. energy: -1.047
local terms energy: -94.286479
where:
bonds (distance) C4'-P energy: -25.309
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -27.417
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.268 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -557.827211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.827211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.827211 (E_RNA)
where:
Base-Base interactions energy: -378.748
where: short stacking energy: -168.047
Base-Backbone interact. energy: -0.578
local terms energy: -178.501819
where:
bonds (distance) C4'-P energy: -34.880
bonds (distance) P-C4' energy: -29.601
flat angles C4'-P-C4' energy: -32.907
flat angles P-C4'-P energy: -25.410
tors. eta vs tors. theta energy: -55.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -543.582745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.582745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.582745 (E_RNA)
where:
Base-Base interactions energy: -368.111
where: short stacking energy: -154.675
Base-Backbone interact. energy: -0.280
local terms energy: -175.191817
where:
bonds (distance) C4'-P energy: -33.113
bonds (distance) P-C4' energy: -32.865
flat angles C4'-P-C4' energy: -34.485
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -49.470
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: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -551.509000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.509000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.509000 (E_RNA)
where:
Base-Base interactions energy: -372.229
where: short stacking energy: -149.777
Base-Backbone interact. energy: -0.100
local terms energy: -179.180044
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -38.759
flat angles P-C4'-P energy: -30.065
tors. eta vs tors. theta energy: -50.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -494.912130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.912130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.912130 (E_RNA)
where:
Base-Base interactions energy: -332.278
where: short stacking energy: -142.300
Base-Backbone interact. energy: -0.651
local terms energy: -162.263686
where:
bonds (distance) C4'-P energy: -28.747
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -35.974
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -44.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.281 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -512.926539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.926539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.926539 (E_RNA)
where:
Base-Base interactions energy: -350.913
where: short stacking energy: -155.229
Base-Backbone interact. energy: -1.048
local terms energy: -161.782305
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -36.183
flat angles C4'-P-C4' energy: -26.657
flat angles P-C4'-P energy: -24.385
tors. eta vs tors. theta energy: -49.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.816 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -429.526346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.526346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.526346 (E_RNA)
where:
Base-Base interactions energy: -285.712
where: short stacking energy: -127.606
Base-Backbone interact. energy: -0.398
local terms energy: -143.416230
where:
bonds (distance) C4'-P energy: -29.141
bonds (distance) P-C4' energy: -36.141
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: -34.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -359.210121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.210121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.210121 (E_RNA)
where:
Base-Base interactions energy: -223.150
where: short stacking energy: -100.074
Base-Backbone interact. energy: -0.161
local terms energy: -135.899119
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -37.991
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -272.528343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.528343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.528343 (E_RNA)
where:
Base-Base interactions energy: -135.222
where: short stacking energy: -73.305
Base-Backbone interact. energy: -0.366
local terms energy: -136.940301
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -36.634
flat angles C4'-P-C4' energy: -38.878
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -149.480157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.480157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.480157 (E_RNA)
where:
Base-Base interactions energy: -46.204
where: short stacking energy: -29.812
Base-Backbone interact. energy: -0.955
local terms energy: -102.320316
where:
bonds (distance) C4'-P energy: -30.541
bonds (distance) P-C4' energy: -35.954
flat angles C4'-P-C4' energy: -20.805
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: 4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -157.980634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.980634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.980634 (E_RNA)
where:
Base-Base interactions energy: -56.727
where: short stacking energy: -45.504
Base-Backbone interact. energy: -0.665
local terms energy: -100.589361
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -36.338
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: 4.962
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: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -576.039375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.039375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.039375 (E_RNA)
where:
Base-Base interactions energy: -378.110
where: short stacking energy: -171.785
Base-Backbone interact. energy: -0.213
local terms energy: -197.923054
where:
bonds (distance) C4'-P energy: -35.476
bonds (distance) P-C4' energy: -37.866
flat angles C4'-P-C4' energy: -39.845
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: -53.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.207 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -559.969698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.969698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.969698 (E_RNA)
where:
Base-Base interactions energy: -386.514
where: short stacking energy: -162.155
Base-Backbone interact. energy: 0.107
local terms energy: -173.561908
where:
bonds (distance) C4'-P energy: -26.679
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -40.264
flat angles P-C4'-P energy: -26.867
tors. eta vs tors. theta energy: -46.057
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: 227
Temperature: 1.000000
Total energy: -532.870449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.870449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.870449 (E_RNA)
where:
Base-Base interactions energy: -365.502
where: short stacking energy: -156.648
Base-Backbone interact. energy: -0.198
local terms energy: -167.687525
where:
bonds (distance) C4'-P energy: -30.892
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -38.380
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -45.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.518 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -511.958523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.958523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.958523 (E_RNA)
where:
Base-Base interactions energy: -346.908
where: short stacking energy: -151.796
Base-Backbone interact. energy: -0.308
local terms energy: -164.742343
where:
bonds (distance) C4'-P energy: -25.524
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -34.866
flat angles P-C4'-P energy: -23.937
tors. eta vs tors. theta energy: -46.118
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: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -498.339021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.339021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.339021 (E_RNA)
where:
Base-Base interactions energy: -324.341
where: short stacking energy: -145.880
Base-Backbone interact. energy: -0.686
local terms energy: -173.931497
where:
bonds (distance) C4'-P energy: -29.357
bonds (distance) P-C4' energy: -34.148
flat angles C4'-P-C4' energy: -35.367
flat angles P-C4'-P energy: -29.226
tors. eta vs tors. theta energy: -45.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.620 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -440.442068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.442068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.442068 (E_RNA)
where:
Base-Base interactions energy: -300.897
where: short stacking energy: -117.115
Base-Backbone interact. energy: -0.975
local terms energy: -139.693426
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -28.879
flat angles C4'-P-C4' energy: -30.273
flat angles P-C4'-P energy: -20.224
tors. eta vs tors. theta energy: -29.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.124 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -371.315914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.315914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.315914 (E_RNA)
where:
Base-Base interactions energy: -226.189
where: short stacking energy: -114.806
Base-Backbone interact. energy: -0.791
local terms energy: -144.335822
where:
bonds (distance) C4'-P energy: -32.394
bonds (distance) P-C4' energy: -28.814
flat angles C4'-P-C4' energy: -30.339
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -274.587345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.587345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.587345 (E_RNA)
where:
Base-Base interactions energy: -158.730
where: short stacking energy: -88.993
Base-Backbone interact. energy: -1.157
local terms energy: -114.912456
where:
bonds (distance) C4'-P energy: -27.684
bonds (distance) P-C4' energy: -31.402
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.212 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -166.434250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.434250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.434250 (E_RNA)
where:
Base-Base interactions energy: -67.067
where: short stacking energy: -57.396
Base-Backbone interact. energy: 1.573
local terms energy: -100.940603
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -34.654
flat angles C4'-P-C4' energy: -25.508
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -162.778024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.778024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.778024 (E_RNA)
where:
Base-Base interactions energy: -53.207
where: short stacking energy: -49.033
Base-Backbone interact. energy: -0.411
local terms energy: -109.577847
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -39.780
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.418 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -578.073138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.073138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.073138 (E_RNA)
where:
Base-Base interactions energy: -405.488
where: short stacking energy: -165.349
Base-Backbone interact. energy: -0.113
local terms energy: -172.471229
where:
bonds (distance) C4'-P energy: -27.301
bonds (distance) P-C4' energy: -35.342
flat angles C4'-P-C4' energy: -35.531
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -45.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -571.150681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.150681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.150681 (E_RNA)
where:
Base-Base interactions energy: -379.063
where: short stacking energy: -170.028
Base-Backbone interact. energy: -0.026
local terms energy: -192.061835
where:
bonds (distance) C4'-P energy: -36.714
bonds (distance) P-C4' energy: -37.850
flat angles C4'-P-C4' energy: -36.553
flat angles P-C4'-P energy: -27.642
tors. eta vs tors. theta energy: -53.303
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: 228
Temperature: 1.000000
Total energy: -543.611677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.611677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.611677 (E_RNA)
where:
Base-Base interactions energy: -381.191
where: short stacking energy: -147.821
Base-Backbone interact. energy: -0.212
local terms energy: -163.013208
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -37.501
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: -38.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.805 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -531.493566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.493566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.493566 (E_RNA)
where:
Base-Base interactions energy: -358.156
where: short stacking energy: -166.448
Base-Backbone interact. energy: -0.597
local terms energy: -172.740450
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -36.118
flat angles P-C4'-P energy: -22.188
tors. eta vs tors. theta energy: -52.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -510.478515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.478515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.478515 (E_RNA)
where:
Base-Base interactions energy: -330.744
where: short stacking energy: -158.159
Base-Backbone interact. energy: -0.759
local terms energy: -178.975017
where:
bonds (distance) C4'-P energy: -33.762
bonds (distance) P-C4' energy: -30.919
flat angles C4'-P-C4' energy: -38.319
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -49.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -426.589409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.589409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.589409 (E_RNA)
where:
Base-Base interactions energy: -285.281
where: short stacking energy: -135.710
Base-Backbone interact. energy: -1.100
local terms energy: -140.208640
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -30.009
flat angles C4'-P-C4' energy: -35.306
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -34.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -401.468830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.468830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.468830 (E_RNA)
where:
Base-Base interactions energy: -263.793
where: short stacking energy: -107.521
Base-Backbone interact. energy: 2.636
local terms energy: -140.311548
where:
bonds (distance) C4'-P energy: -36.526
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -24.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -282.734784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.734784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.734784 (E_RNA)
where:
Base-Base interactions energy: -158.733
where: short stacking energy: -92.580
Base-Backbone interact. energy: -0.292
local terms energy: -124.249532
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -33.870
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.540 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -157.266272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.266272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.266272 (E_RNA)
where:
Base-Base interactions energy: -56.831
where: short stacking energy: -40.753
Base-Backbone interact. energy: 1.362
local terms energy: -101.797447
where:
bonds (distance) C4'-P energy: -34.758
bonds (distance) P-C4' energy: -28.849
flat angles C4'-P-C4' energy: -28.105
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: 5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -159.940025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.940025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.940025 (E_RNA)
where:
Base-Base interactions energy: -61.737
where: short stacking energy: -49.309
Base-Backbone interact. energy: 0.250
local terms energy: -99.711420
where:
bonds (distance) C4'-P energy: -26.737
bonds (distance) P-C4' energy: -28.199
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: 3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.258 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -604.625541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.625541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.625541 (E_RNA)
where:
Base-Base interactions energy: -427.495
where: short stacking energy: -178.994
Base-Backbone interact. energy: -0.181
local terms energy: -176.949272
where:
bonds (distance) C4'-P energy: -35.406
bonds (distance) P-C4' energy: -36.270
flat angles C4'-P-C4' energy: -37.812
flat angles P-C4'-P energy: -17.347
tors. eta vs tors. theta energy: -50.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -566.237763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.237763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.237763 (E_RNA)
where:
Base-Base interactions energy: -389.321
where: short stacking energy: -175.291
Base-Backbone interact. energy: -0.687
local terms energy: -176.566564
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -37.793
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -55.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.337 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -538.465286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.465286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.465286 (E_RNA)
where:
Base-Base interactions energy: -368.401
where: short stacking energy: -158.936
Base-Backbone interact. energy: -0.303
local terms energy: -169.761938
where:
bonds (distance) C4'-P energy: -34.324
bonds (distance) P-C4' energy: -36.648
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -48.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -522.875695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.875695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.875695 (E_RNA)
where:
Base-Base interactions energy: -351.233
where: short stacking energy: -153.109
Base-Backbone interact. energy: -0.528
local terms energy: -171.114791
where:
bonds (distance) C4'-P energy: -30.666
bonds (distance) P-C4' energy: -39.081
flat angles C4'-P-C4' energy: -29.625
flat angles P-C4'-P energy: -28.376
tors. eta vs tors. theta energy: -43.368
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: 229
Temperature: 1.100000
Total energy: -489.300008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.300008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.300008 (E_RNA)
where:
Base-Base interactions energy: -331.045
where: short stacking energy: -135.058
Base-Backbone interact. energy: -0.316
local terms energy: -157.967578
where:
bonds (distance) C4'-P energy: -22.445
bonds (distance) P-C4' energy: -36.457
flat angles C4'-P-C4' energy: -35.528
flat angles P-C4'-P energy: -25.672
tors. eta vs tors. theta energy: -37.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.029 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -436.214236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.214236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.214236 (E_RNA)
where:
Base-Base interactions energy: -285.078
where: short stacking energy: -121.045
Base-Backbone interact. energy: 0.553
local terms energy: -151.688883
where:
bonds (distance) C4'-P energy: -32.366
bonds (distance) P-C4' energy: -32.099
flat angles C4'-P-C4' energy: -34.951
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -32.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -354.726607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.726607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.726607 (E_RNA)
where:
Base-Base interactions energy: -209.590
where: short stacking energy: -97.516
Base-Backbone interact. energy: -1.555
local terms energy: -143.581658
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -35.533
flat angles C4'-P-C4' energy: -27.946
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -27.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -265.586076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.586076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.586076 (E_RNA)
where:
Base-Base interactions energy: -140.985
where: short stacking energy: -80.386
Base-Backbone interact. energy: -0.439
local terms energy: -124.953304
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -32.794
flat angles C4'-P-C4' energy: -33.969
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.791 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -170.048652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.048652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.048652 (E_RNA)
where:
Base-Base interactions energy: -78.487
where: short stacking energy: -46.772
Base-Backbone interact. energy: -1.007
local terms energy: -90.554964
where:
bonds (distance) C4'-P energy: -23.920
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -22.215
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: 0.846
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: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -156.831766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.831766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.831766 (E_RNA)
where:
Base-Base interactions energy: -68.640
where: short stacking energy: -45.168
Base-Backbone interact. energy: 1.612
local terms energy: -89.803412
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -32.097
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -19.177
tors. eta vs tors. theta energy: 5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -584.388310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.388310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.388310 (E_RNA)
where:
Base-Base interactions energy: -392.018
where: short stacking energy: -180.156
Base-Backbone interact. energy: -0.002
local terms energy: -192.368456
where:
bonds (distance) C4'-P energy: -34.576
bonds (distance) P-C4' energy: -34.260
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -26.711
tors. eta vs tors. theta energy: -60.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -561.835484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.835484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.835484 (E_RNA)
where:
Base-Base interactions energy: -385.817
where: short stacking energy: -166.011
Base-Backbone interact. energy: 1.446
local terms energy: -177.464118
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -49.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -544.356691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.356691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.356691 (E_RNA)
where:
Base-Base interactions energy: -371.572
where: short stacking energy: -143.351
Base-Backbone interact. energy: -0.505
local terms energy: -172.279902
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -34.513
flat angles C4'-P-C4' energy: -37.256
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -49.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -519.701300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.701300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.701300 (E_RNA)
where:
Base-Base interactions energy: -354.170
where: short stacking energy: -148.758
Base-Backbone interact. energy: -0.253
local terms energy: -165.279110
where:
bonds (distance) C4'-P energy: -33.711
bonds (distance) P-C4' energy: -31.693
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -47.299
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -493.444432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.444432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.444432 (E_RNA)
where:
Base-Base interactions energy: -331.942
where: short stacking energy: -156.204
Base-Backbone interact. energy: -0.033
local terms energy: -161.469541
where:
bonds (distance) C4'-P energy: -34.997
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -42.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -420.195854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.195854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.195854 (E_RNA)
where:
Base-Base interactions energy: -263.899
where: short stacking energy: -125.897
Base-Backbone interact. energy: 0.123
local terms energy: -156.420526
where:
bonds (distance) C4'-P energy: -33.812
bonds (distance) P-C4' energy: -30.974
flat angles C4'-P-C4' energy: -36.371
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -36.786
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: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -341.324615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.324615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.324615 (E_RNA)
where:
Base-Base interactions energy: -204.842
where: short stacking energy: -100.624
Base-Backbone interact. energy: 0.502
local terms energy: -136.984801
where:
bonds (distance) C4'-P energy: -26.329
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -34.840
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -263.127675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.127675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.127675 (E_RNA)
where:
Base-Base interactions energy: -149.038
where: short stacking energy: -75.223
Base-Backbone interact. energy: 2.437
local terms energy: -117.122174
where:
bonds (distance) C4'-P energy: -30.307
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -27.780
flat angles P-C4'-P energy: -26.735
tors. eta vs tors. theta energy: -10.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.596 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -176.217871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.217871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.217871 (E_RNA)
where:
Base-Base interactions energy: -78.657
where: short stacking energy: -37.279
Base-Backbone interact. energy: 1.105
local terms energy: -98.666252
where:
bonds (distance) C4'-P energy: -30.692
bonds (distance) P-C4' energy: -35.263
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: 3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -159.105809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.105809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.105809 (E_RNA)
where:
Base-Base interactions energy: -54.556
where: short stacking energy: -24.383
Base-Backbone interact. energy: 3.121
local terms energy: -107.670315
where:
bonds (distance) C4'-P energy: -34.593
bonds (distance) P-C4' energy: -35.065
flat angles C4'-P-C4' energy: -31.642
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: 5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -571.979105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.979105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.979105 (E_RNA)
where:
Base-Base interactions energy: -390.920
where: short stacking energy: -172.672
Base-Backbone interact. energy: -0.866
local terms energy: -180.193477
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -29.299
flat angles C4'-P-C4' energy: -37.412
flat angles P-C4'-P energy: -28.679
tors. eta vs tors. theta energy: -53.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -545.818284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.818284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.818284 (E_RNA)
where:
Base-Base interactions energy: -374.985
where: short stacking energy: -153.024
Base-Backbone interact. energy: -0.204
local terms energy: -170.629491
where:
bonds (distance) C4'-P energy: -32.756
bonds (distance) P-C4' energy: -32.340
flat angles C4'-P-C4' energy: -35.823
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -45.882
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: 231
Temperature: 1.000000
Total energy: -546.519583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.519583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.519583 (E_RNA)
where:
Base-Base interactions energy: -377.356
where: short stacking energy: -154.434
Base-Backbone interact. energy: -0.534
local terms energy: -168.628734
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -37.327
flat angles C4'-P-C4' energy: -37.014
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -42.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -494.359849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.359849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.359849 (E_RNA)
where:
Base-Base interactions energy: -341.292
where: short stacking energy: -142.026
Base-Backbone interact. energy: -1.005
local terms energy: -152.063045
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -35.804
flat angles P-C4'-P energy: -24.703
tors. eta vs tors. theta energy: -41.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -486.190580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.190580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.190580 (E_RNA)
where:
Base-Base interactions energy: -333.435
where: short stacking energy: -130.575
Base-Backbone interact. energy: -0.323
local terms energy: -152.728692
where:
bonds (distance) C4'-P energy: -28.534
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -31.905
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -46.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.297 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -430.818048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.818048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.818048 (E_RNA)
where:
Base-Base interactions energy: -287.759
where: short stacking energy: -125.144
Base-Backbone interact. energy: 1.448
local terms energy: -144.507267
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -33.748
flat angles C4'-P-C4' energy: -30.673
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -32.392
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: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -318.829732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.829732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.829732 (E_RNA)
where:
Base-Base interactions energy: -181.325
where: short stacking energy: -93.243
Base-Backbone interact. energy: -0.135
local terms energy: -137.369166
where:
bonds (distance) C4'-P energy: -24.808
bonds (distance) P-C4' energy: -36.590
flat angles C4'-P-C4' energy: -28.166
flat angles P-C4'-P energy: -22.695
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -269.768913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.768913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.768913 (E_RNA)
where:
Base-Base interactions energy: -149.293
where: short stacking energy: -82.719
Base-Backbone interact. energy: -0.158
local terms energy: -120.592068
where:
bonds (distance) C4'-P energy: -28.513
bonds (distance) P-C4' energy: -30.995
flat angles C4'-P-C4' energy: -28.823
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -13.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.274 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -194.671333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.671333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.671333 (E_RNA)
where:
Base-Base interactions energy: -93.914
where: short stacking energy: -54.830
Base-Backbone interact. energy: -0.105
local terms energy: -100.959321
where:
bonds (distance) C4'-P energy: -28.561
bonds (distance) P-C4' energy: -34.530
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: 4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.307 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -171.418846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.418846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.418846 (E_RNA)
where:
Base-Base interactions energy: -59.638
where: short stacking energy: -55.850
Base-Backbone interact. energy: -0.468
local terms energy: -111.312623
where:
bonds (distance) C4'-P energy: -30.485
bonds (distance) P-C4' energy: -33.354
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -563.080457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.080457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.080457 (E_RNA)
where:
Base-Base interactions energy: -383.718
where: short stacking energy: -158.656
Base-Backbone interact. energy: -0.432
local terms energy: -178.930240
where:
bonds (distance) C4'-P energy: -39.554
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -25.412
tors. eta vs tors. theta energy: -44.412
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: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -558.983204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.983204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.983204 (E_RNA)
where:
Base-Base interactions energy: -373.709
where: short stacking energy: -165.602
Base-Backbone interact. energy: -0.180
local terms energy: -185.095004
where:
bonds (distance) C4'-P energy: -36.090
bonds (distance) P-C4' energy: -32.490
flat angles C4'-P-C4' energy: -39.009
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -54.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -545.794696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.794696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.794696 (E_RNA)
where:
Base-Base interactions energy: -366.565
where: short stacking energy: -153.390
Base-Backbone interact. energy: 0.260
local terms energy: -179.489630
where:
bonds (distance) C4'-P energy: -29.215
bonds (distance) P-C4' energy: -33.277
flat angles C4'-P-C4' energy: -37.277
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -51.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -500.469178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.469178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.469178 (E_RNA)
where:
Base-Base interactions energy: -337.144
where: short stacking energy: -140.642
Base-Backbone interact. energy: -0.664
local terms energy: -162.661048
where:
bonds (distance) C4'-P energy: -31.302
bonds (distance) P-C4' energy: -32.460
flat angles C4'-P-C4' energy: -36.125
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -42.097
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: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -499.185111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.185111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.185111 (E_RNA)
where:
Base-Base interactions energy: -335.933
where: short stacking energy: -135.225
Base-Backbone interact. energy: -0.652
local terms energy: -162.600499
where:
bonds (distance) C4'-P energy: -29.360
bonds (distance) P-C4' energy: -34.596
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -43.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -431.938852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.938852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.938852 (E_RNA)
where:
Base-Base interactions energy: -293.627
where: short stacking energy: -118.892
Base-Backbone interact. energy: -1.921
local terms energy: -136.390601
where:
bonds (distance) C4'-P energy: -22.476
bonds (distance) P-C4' energy: -30.710
flat angles C4'-P-C4' energy: -33.990
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -30.603
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: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -314.003234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.003234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.003234 (E_RNA)
where:
Base-Base interactions energy: -190.387
where: short stacking energy: -88.371
Base-Backbone interact. energy: -0.473
local terms energy: -123.142864
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -35.118
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -299.587009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.587009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.587009 (E_RNA)
where:
Base-Base interactions energy: -169.099
where: short stacking energy: -92.183
Base-Backbone interact. energy: -0.276
local terms energy: -130.323124
where:
bonds (distance) C4'-P energy: -26.633
bonds (distance) P-C4' energy: -26.018
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -22.783
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.112 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -186.385745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.385745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.385745 (E_RNA)
where:
Base-Base interactions energy: -99.206
where: short stacking energy: -55.033
Base-Backbone interact. energy: -1.412
local terms energy: -87.067899
where:
bonds (distance) C4'-P energy: -21.467
bonds (distance) P-C4' energy: -27.576
flat angles C4'-P-C4' energy: -26.574
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.299 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -145.850100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.850100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.850100 (E_RNA)
where:
Base-Base interactions energy: -52.633
where: short stacking energy: -39.438
Base-Backbone interact. energy: 5.868
local terms energy: -99.084532
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: 7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -558.066367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.066367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.066367 (E_RNA)
where:
Base-Base interactions energy: -378.675
where: short stacking energy: -159.579
Base-Backbone interact. energy: -0.619
local terms energy: -178.773150
where:
bonds (distance) C4'-P energy: -37.139
bonds (distance) P-C4' energy: -38.535
flat angles C4'-P-C4' energy: -32.076
flat angles P-C4'-P energy: -26.336
tors. eta vs tors. theta energy: -44.687
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: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -561.271048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.271048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.271048 (E_RNA)
where:
Base-Base interactions energy: -380.094
where: short stacking energy: -173.285
Base-Backbone interact. energy: -0.047
local terms energy: -181.130122
where:
bonds (distance) C4'-P energy: -32.119
bonds (distance) P-C4' energy: -31.622
flat angles C4'-P-C4' energy: -38.590
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -51.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -537.195937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.195937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.195937 (E_RNA)
where:
Base-Base interactions energy: -362.008
where: short stacking energy: -148.750
Base-Backbone interact. energy: -0.040
local terms energy: -175.148422
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -32.391
flat angles C4'-P-C4' energy: -37.186
flat angles P-C4'-P energy: -22.743
tors. eta vs tors. theta energy: -47.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -502.544226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.544226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.544226 (E_RNA)
where:
Base-Base interactions energy: -347.611
where: short stacking energy: -148.519
Base-Backbone interact. energy: 2.054
local terms energy: -156.987485
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -32.320
flat angles P-C4'-P energy: -24.665
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: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -479.319008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.319008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.319008 (E_RNA)
where:
Base-Base interactions energy: -318.587
where: short stacking energy: -133.052
Base-Backbone interact. energy: -0.048
local terms energy: -160.683918
where:
bonds (distance) C4'-P energy: -32.509
bonds (distance) P-C4' energy: -32.002
flat angles C4'-P-C4' energy: -33.178
flat angles P-C4'-P energy: -25.622
tors. eta vs tors. theta energy: -37.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -396.476752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.476752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.476752 (E_RNA)
where:
Base-Base interactions energy: -264.793
where: short stacking energy: -113.780
Base-Backbone interact. energy: 0.069
local terms energy: -131.753286
where:
bonds (distance) C4'-P energy: -25.995
bonds (distance) P-C4' energy: -26.700
flat angles C4'-P-C4' energy: -34.564
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -23.309
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: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -363.811535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.811535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.811535 (E_RNA)
where:
Base-Base interactions energy: -217.200
where: short stacking energy: -114.258
Base-Backbone interact. energy: -0.112
local terms energy: -146.499036
where:
bonds (distance) C4'-P energy: -29.755
bonds (distance) P-C4' energy: -37.937
flat angles C4'-P-C4' energy: -32.198
flat angles P-C4'-P energy: -19.286
tors. eta vs tors. theta energy: -27.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -261.128524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.128524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.128524 (E_RNA)
where:
Base-Base interactions energy: -147.039
where: short stacking energy: -70.008
Base-Backbone interact. energy: -0.868
local terms energy: -113.256136
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -24.282
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.034 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -220.390720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.390720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.390720 (E_RNA)
where:
Base-Base interactions energy: -116.196
where: short stacking energy: -57.152
Base-Backbone interact. energy: 0.118
local terms energy: -104.312230
where:
bonds (distance) C4'-P energy: -25.859
bonds (distance) P-C4' energy: -29.926
flat angles C4'-P-C4' energy: -24.198
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -8.371
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: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -171.758763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.758763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.758763 (E_RNA)
where:
Base-Base interactions energy: -77.263
where: short stacking energy: -45.939
Base-Backbone interact. energy: -0.362
local terms energy: -94.134457
where:
bonds (distance) C4'-P energy: -26.828
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: 3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -560.058514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.058514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.058514 (E_RNA)
where:
Base-Base interactions energy: -381.819
where: short stacking energy: -161.000
Base-Backbone interact. energy: -2.615
local terms energy: -175.892341
where:
bonds (distance) C4'-P energy: -29.229
bonds (distance) P-C4' energy: -33.185
flat angles C4'-P-C4' energy: -36.383
flat angles P-C4'-P energy: -26.643
tors. eta vs tors. theta energy: -50.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.268 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -568.254239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.254239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.254239 (E_RNA)
where:
Base-Base interactions energy: -385.066
where: short stacking energy: -172.656
Base-Backbone interact. energy: -0.001
local terms energy: -183.187824
where:
bonds (distance) C4'-P energy: -33.714
bonds (distance) P-C4' energy: -26.672
flat angles C4'-P-C4' energy: -41.415
flat angles P-C4'-P energy: -28.948
tors. eta vs tors. theta energy: -52.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -518.015700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.015700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.015700 (E_RNA)
where:
Base-Base interactions energy: -354.277
where: short stacking energy: -145.576
Base-Backbone interact. energy: -0.234
local terms energy: -163.842337
where:
bonds (distance) C4'-P energy: -32.165
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -38.616
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -46.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.338 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -538.618708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.618708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.618708 (E_RNA)
where:
Base-Base interactions energy: -366.264
where: short stacking energy: -145.931
Base-Backbone interact. energy: 4.035
local terms energy: -176.389567
where:
bonds (distance) C4'-P energy: -35.789
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -25.095
tors. eta vs tors. theta energy: -41.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -481.622820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.622820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.622820 (E_RNA)
where:
Base-Base interactions energy: -323.751
where: short stacking energy: -140.969
Base-Backbone interact. energy: -0.157
local terms energy: -157.715137
where:
bonds (distance) C4'-P energy: -29.081
bonds (distance) P-C4' energy: -27.616
flat angles C4'-P-C4' energy: -35.970
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -41.448
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: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -412.004219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.004219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.004219 (E_RNA)
where:
Base-Base interactions energy: -273.680
where: short stacking energy: -111.190
Base-Backbone interact. energy: -0.923
local terms energy: -137.400716
where:
bonds (distance) C4'-P energy: -29.413
bonds (distance) P-C4' energy: -30.455
flat angles C4'-P-C4' energy: -29.913
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -34.496
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: 234
Temperature: 1.200000
Total energy: -348.193238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.193238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.193238 (E_RNA)
where:
Base-Base interactions energy: -206.218
where: short stacking energy: -99.382
Base-Backbone interact. energy: 0.097
local terms energy: -142.072378
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -34.573
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -23.403
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: 234
Temperature: 1.250000
Total energy: -254.981545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.981545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.981545 (E_RNA)
where:
Base-Base interactions energy: -141.102
where: short stacking energy: -75.523
Base-Backbone interact. energy: -0.953
local terms energy: -112.926714
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -32.758
flat angles C4'-P-C4' energy: -35.138
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -197.311517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.311517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.311517 (E_RNA)
where:
Base-Base interactions energy: -86.002
where: short stacking energy: -46.871
Base-Backbone interact. energy: -1.349
local terms energy: -109.960051
where:
bonds (distance) C4'-P energy: -26.555
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -159.691875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.691875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.691875 (E_RNA)
where:
Base-Base interactions energy: -63.824
where: short stacking energy: -44.497
Base-Backbone interact. energy: -0.588
local terms energy: -95.279685
where:
bonds (distance) C4'-P energy: -28.679
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -26.931
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: 6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -559.139925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.139925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.139925 (E_RNA)
where:
Base-Base interactions energy: -388.942
where: short stacking energy: -155.702
Base-Backbone interact. energy: -0.510
local terms energy: -169.687920
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -36.098
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -46.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -556.577344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.577344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.577344 (E_RNA)
where:
Base-Base interactions energy: -381.025
where: short stacking energy: -169.484
Base-Backbone interact. energy: -0.229
local terms energy: -175.323332
where:
bonds (distance) C4'-P energy: -32.172
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -34.439
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -56.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -530.931952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.931952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.931952 (E_RNA)
where:
Base-Base interactions energy: -359.225
where: short stacking energy: -156.175
Base-Backbone interact. energy: -0.135
local terms energy: -174.015741
where:
bonds (distance) C4'-P energy: -30.086
bonds (distance) P-C4' energy: -26.739
flat angles C4'-P-C4' energy: -38.104
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -53.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.444 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -526.960233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.960233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.960233 (E_RNA)
where:
Base-Base interactions energy: -359.449
where: short stacking energy: -158.362
Base-Backbone interact. energy: -0.184
local terms energy: -167.327621
where:
bonds (distance) C4'-P energy: -33.737
bonds (distance) P-C4' energy: -32.062
flat angles C4'-P-C4' energy: -35.915
flat angles P-C4'-P energy: -22.442
tors. eta vs tors. theta energy: -43.172
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: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -480.248616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.248616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.248616 (E_RNA)
where:
Base-Base interactions energy: -331.059
where: short stacking energy: -140.879
Base-Backbone interact. energy: -0.251
local terms energy: -148.938561
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -32.458
flat angles C4'-P-C4' energy: -25.790
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -42.244
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: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -420.884256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.884256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.884256 (E_RNA)
where:
Base-Base interactions energy: -278.540
where: short stacking energy: -135.536
Base-Backbone interact. energy: 2.997
local terms energy: -145.341096
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -34.525
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -31.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -335.460908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.460908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.460908 (E_RNA)
where:
Base-Base interactions energy: -204.238
where: short stacking energy: -104.516
Base-Backbone interact. energy: -0.880
local terms energy: -131.067034
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -35.098
flat angles C4'-P-C4' energy: -33.157
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.724 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -276.517390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.517390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.517390 (E_RNA)
where:
Base-Base interactions energy: -138.219
where: short stacking energy: -73.298
Base-Backbone interact. energy: -0.194
local terms energy: -138.104420
where:
bonds (distance) C4'-P energy: -27.455
bonds (distance) P-C4' energy: -34.908
flat angles C4'-P-C4' energy: -36.590
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -191.922331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.922331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.922331 (E_RNA)
where:
Base-Base interactions energy: -92.647
where: short stacking energy: -45.222
Base-Backbone interact. energy: 2.894
local terms energy: -102.168585
where:
bonds (distance) C4'-P energy: -29.428
bonds (distance) P-C4' energy: -32.402
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: 2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -155.691316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.691316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.691316 (E_RNA)
where:
Base-Base interactions energy: -66.822
where: short stacking energy: -46.114
Base-Backbone interact. energy: 0.374
local terms energy: -89.243463
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -30.049
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -566.741303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.741303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.741303 (E_RNA)
where:
Base-Base interactions energy: -379.378
where: short stacking energy: -179.011
Base-Backbone interact. energy: -0.001
local terms energy: -187.361734
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -35.499
flat angles P-C4'-P energy: -26.462
tors. eta vs tors. theta energy: -56.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -546.715235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.715235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.715235 (E_RNA)
where:
Base-Base interactions energy: -386.495
where: short stacking energy: -166.448
Base-Backbone interact. energy: -0.984
local terms energy: -160.285175
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -34.900
flat angles C4'-P-C4' energy: -31.817
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -46.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.049 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -553.072452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.072452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.072452 (E_RNA)
where:
Base-Base interactions energy: -381.461
where: short stacking energy: -160.178
Base-Backbone interact. energy: -0.600
local terms energy: -171.011685
where:
bonds (distance) C4'-P energy: -33.287
bonds (distance) P-C4' energy: -29.567
flat angles C4'-P-C4' energy: -34.928
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -47.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -524.816950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.816950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.816950 (E_RNA)
where:
Base-Base interactions energy: -353.397
where: short stacking energy: -143.754
Base-Backbone interact. energy: -0.384
local terms energy: -171.667598
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -36.700
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -27.318
tors. eta vs tors. theta energy: -45.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.632 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -439.241774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.241774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.241774 (E_RNA)
where:
Base-Base interactions energy: -291.879
where: short stacking energy: -128.133
Base-Backbone interact. energy: -1.053
local terms energy: -146.310204
where:
bonds (distance) C4'-P energy: -32.610
bonds (distance) P-C4' energy: -29.984
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -30.279
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: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -484.277638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.277638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.277638 (E_RNA)
where:
Base-Base interactions energy: -345.176
where: short stacking energy: -137.601
Base-Backbone interact. energy: -1.029
local terms energy: -138.703841
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -24.602
flat angles C4'-P-C4' energy: -30.369
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -40.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.632 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -282.238300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.238300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.238300 (E_RNA)
where:
Base-Base interactions energy: -171.774
where: short stacking energy: -70.844
Base-Backbone interact. energy: -1.673
local terms energy: -108.791666
where:
bonds (distance) C4'-P energy: -29.178
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -22.720
tors. eta vs tors. theta energy: -10.540
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: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -288.871901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.871901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.871901 (E_RNA)
where:
Base-Base interactions energy: -159.515
where: short stacking energy: -89.225
Base-Backbone interact. energy: -1.357
local terms energy: -128.000338
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -36.632
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: -15.791
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: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -153.386200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.386200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.386200 (E_RNA)
where:
Base-Base interactions energy: -42.470
where: short stacking energy: -31.686
Base-Backbone interact. energy: 2.874
local terms energy: -113.790816
where:
bonds (distance) C4'-P energy: -28.045
bonds (distance) P-C4' energy: -36.945
flat angles C4'-P-C4' energy: -25.261
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -147.742171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.742171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.742171 (E_RNA)
where:
Base-Base interactions energy: -45.648
where: short stacking energy: -25.875
Base-Backbone interact. energy: -4.140
local terms energy: -97.954033
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -34.056
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: 4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -566.730954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.730954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.730954 (E_RNA)
where:
Base-Base interactions energy: -379.785
where: short stacking energy: -167.144
Base-Backbone interact. energy: -0.600
local terms energy: -186.345238
where:
bonds (distance) C4'-P energy: -33.429
bonds (distance) P-C4' energy: -36.851
flat angles C4'-P-C4' energy: -38.376
flat angles P-C4'-P energy: -26.149
tors. eta vs tors. theta energy: -51.541
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: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -555.535179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.535179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.535179 (E_RNA)
where:
Base-Base interactions energy: -382.057
where: short stacking energy: -158.605
Base-Backbone interact. energy: -0.503
local terms energy: -172.974800
where:
bonds (distance) C4'-P energy: -31.145
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -36.940
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -47.720
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: 237
Temperature: 1.000000
Total energy: -532.309080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.309080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.309080 (E_RNA)
where:
Base-Base interactions energy: -366.362
where: short stacking energy: -147.142
Base-Backbone interact. energy: -1.008
local terms energy: -164.939473
where:
bonds (distance) C4'-P energy: -31.256
bonds (distance) P-C4' energy: -38.018
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -38.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -518.317304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.317304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.317304 (E_RNA)
where:
Base-Base interactions energy: -349.195
where: short stacking energy: -152.095
Base-Backbone interact. energy: -0.120
local terms energy: -169.001875
where:
bonds (distance) C4'-P energy: -32.977
bonds (distance) P-C4' energy: -35.654
flat angles C4'-P-C4' energy: -36.909
flat angles P-C4'-P energy: -23.001
tors. eta vs tors. theta energy: -40.461
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: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -476.315739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.315739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.315739 (E_RNA)
where:
Base-Base interactions energy: -327.191
where: short stacking energy: -132.614
Base-Backbone interact. energy: -1.397
local terms energy: -147.728140
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -27.690
flat angles C4'-P-C4' energy: -33.232
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -34.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -473.005893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.005893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.005893 (E_RNA)
where:
Base-Base interactions energy: -336.195
where: short stacking energy: -138.223
Base-Backbone interact. energy: -0.202
local terms energy: -136.912139
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -30.568
flat angles C4'-P-C4' energy: -27.332
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -38.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.304 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -360.185194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.185194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.185194 (E_RNA)
where:
Base-Base interactions energy: -237.799
where: short stacking energy: -113.917
Base-Backbone interact. energy: -0.105
local terms energy: -122.281174
where:
bonds (distance) C4'-P energy: -23.748
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -27.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -312.354963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.354963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.354963 (E_RNA)
where:
Base-Base interactions energy: -188.992
where: short stacking energy: -91.052
Base-Backbone interact. energy: -1.664
local terms energy: -121.699193
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -28.973
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -14.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -162.725119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.725119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.725119 (E_RNA)
where:
Base-Base interactions energy: -69.835
where: short stacking energy: -52.659
Base-Backbone interact. energy: -0.353
local terms energy: -92.537830
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -28.696
flat angles C4'-P-C4' energy: -27.458
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -148.435856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.435856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.435856 (E_RNA)
where:
Base-Base interactions energy: -79.485
where: short stacking energy: -43.988
Base-Backbone interact. energy: 2.182
local terms energy: -74.981620
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -24.106
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -16.921
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: 3.849 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -572.689814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.689814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.689814 (E_RNA)
where:
Base-Base interactions energy: -383.206
where: short stacking energy: -175.836
Base-Backbone interact. energy: -0.200
local terms energy: -189.283520
where:
bonds (distance) C4'-P energy: -33.155
bonds (distance) P-C4' energy: -35.751
flat angles C4'-P-C4' energy: -34.647
flat angles P-C4'-P energy: -29.508
tors. eta vs tors. theta energy: -56.223
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: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -560.817446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.817446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.817446 (E_RNA)
where:
Base-Base interactions energy: -387.536
where: short stacking energy: -158.337
Base-Backbone interact. energy: -1.039
local terms energy: -172.241979
where:
bonds (distance) C4'-P energy: -31.084
bonds (distance) P-C4' energy: -30.222
flat angles C4'-P-C4' energy: -36.775
flat angles P-C4'-P energy: -26.766
tors. eta vs tors. theta energy: -47.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -530.466730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.466730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.466730 (E_RNA)
where:
Base-Base interactions energy: -361.322
where: short stacking energy: -151.330
Base-Backbone interact. energy: -0.021
local terms energy: -169.124369
where:
bonds (distance) C4'-P energy: -36.554
bonds (distance) P-C4' energy: -32.027
flat angles C4'-P-C4' energy: -35.441
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -46.876
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: 238
Temperature: 1.050000
Total energy: -525.645361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.645361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.645361 (E_RNA)
where:
Base-Base interactions energy: -365.331
where: short stacking energy: -132.904
Base-Backbone interact. energy: -0.241
local terms energy: -160.073103
where:
bonds (distance) C4'-P energy: -27.402
bonds (distance) P-C4' energy: -35.848
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -25.229
tors. eta vs tors. theta energy: -38.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -480.764453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.764453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.764453 (E_RNA)
where:
Base-Base interactions energy: -327.219
where: short stacking energy: -135.026
Base-Backbone interact. energy: -0.762
local terms energy: -152.783333
where:
bonds (distance) C4'-P energy: -31.813
bonds (distance) P-C4' energy: -32.140
flat angles C4'-P-C4' energy: -38.267
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -40.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -447.111817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.111817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.111817 (E_RNA)
where:
Base-Base interactions energy: -311.558
where: short stacking energy: -139.839
Base-Backbone interact. energy: -0.480
local terms energy: -135.073844
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -27.013
tors. eta vs tors. theta energy: -37.841
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: 238
Temperature: 1.200000
Total energy: -314.279264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.279264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.279264 (E_RNA)
where:
Base-Base interactions energy: -191.541
where: short stacking energy: -98.008
Base-Backbone interact. energy: 1.264
local terms energy: -124.001579
where:
bonds (distance) C4'-P energy: -31.403
bonds (distance) P-C4' energy: -30.484
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -18.947
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -368.484684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.484684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.484684 (E_RNA)
where:
Base-Base interactions energy: -243.488
where: short stacking energy: -107.740
Base-Backbone interact. energy: 0.119
local terms energy: -125.115647
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -30.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -157.689184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.689184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.689184 (E_RNA)
where:
Base-Base interactions energy: -53.718
where: short stacking energy: -46.342
Base-Backbone interact. energy: -0.702
local terms energy: -103.268915
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -28.037
flat angles C4'-P-C4' energy: -25.466
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: 0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -150.559933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.559933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.559933 (E_RNA)
where:
Base-Base interactions energy: -51.731
where: short stacking energy: -41.761
Base-Backbone interact. energy: -0.672
local terms energy: -98.157190
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -32.583
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -565.116686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.116686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.116686 (E_RNA)
where:
Base-Base interactions energy: -376.783
where: short stacking energy: -163.371
Base-Backbone interact. energy: -0.414
local terms energy: -187.919336
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -36.702
flat angles C4'-P-C4' energy: -37.949
flat angles P-C4'-P energy: -23.990
tors. eta vs tors. theta energy: -55.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -567.783762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.783762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.783762 (E_RNA)
where:
Base-Base interactions energy: -387.150
where: short stacking energy: -166.216
Base-Backbone interact. energy: -1.405
local terms energy: -179.229119
where:
bonds (distance) C4'-P energy: -36.143
bonds (distance) P-C4' energy: -36.150
flat angles C4'-P-C4' energy: -36.374
flat angles P-C4'-P energy: -22.241
tors. eta vs tors. theta energy: -48.321
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: 239
Temperature: 1.000000
Total energy: -542.044368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.044368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.044368 (E_RNA)
where:
Base-Base interactions energy: -360.752
where: short stacking energy: -161.871
Base-Backbone interact. energy: -0.752
local terms energy: -180.539958
where:
bonds (distance) C4'-P energy: -34.391
bonds (distance) P-C4' energy: -34.288
flat angles C4'-P-C4' energy: -38.094
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -50.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -517.796298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.796298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.796298 (E_RNA)
where:
Base-Base interactions energy: -353.240
where: short stacking energy: -149.338
Base-Backbone interact. energy: -0.423
local terms energy: -164.133381
where:
bonds (distance) C4'-P energy: -27.047
bonds (distance) P-C4' energy: -35.170
flat angles C4'-P-C4' energy: -35.841
flat angles P-C4'-P energy: -18.194
tors. eta vs tors. theta energy: -47.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -449.726142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.726142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.726142 (E_RNA)
where:
Base-Base interactions energy: -300.344
where: short stacking energy: -123.201
Base-Backbone interact. energy: -0.076
local terms energy: -149.306225
where:
bonds (distance) C4'-P energy: -27.141
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -24.669
tors. eta vs tors. theta energy: -37.699
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: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -453.115733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.115733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.115733 (E_RNA)
where:
Base-Base interactions energy: -308.196
where: short stacking energy: -128.055
Base-Backbone interact. energy: -0.629
local terms energy: -144.290402
where:
bonds (distance) C4'-P energy: -23.074
bonds (distance) P-C4' energy: -36.881
flat angles C4'-P-C4' energy: -30.709
flat angles P-C4'-P energy: -20.199
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: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -315.922600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.922600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.922600 (E_RNA)
where:
Base-Base interactions energy: -186.313
where: short stacking energy: -85.738
Base-Backbone interact. energy: -1.275
local terms energy: -128.334333
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -38.397
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -343.871064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.871064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.871064 (E_RNA)
where:
Base-Base interactions energy: -216.021
where: short stacking energy: -92.825
Base-Backbone interact. energy: -0.565
local terms energy: -127.284730
where:
bonds (distance) C4'-P energy: -30.071
bonds (distance) P-C4' energy: -29.369
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -161.451438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.451438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.451438 (E_RNA)
where:
Base-Base interactions energy: -58.838
where: short stacking energy: -40.770
Base-Backbone interact. energy: -1.232
local terms energy: -101.381979
where:
bonds (distance) C4'-P energy: -31.286
bonds (distance) P-C4' energy: -32.370
flat angles C4'-P-C4' energy: -26.545
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: 6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -164.166542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.166542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.166542 (E_RNA)
where:
Base-Base interactions energy: -67.409
where: short stacking energy: -43.841
Base-Backbone interact. energy: -0.289
local terms energy: -96.468357
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -28.036
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -578.122730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.122730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.122730 (E_RNA)
where:
Base-Base interactions energy: -395.058
where: short stacking energy: -163.306
Base-Backbone interact. energy: 0.221
local terms energy: -183.285527
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -39.529
flat angles P-C4'-P energy: -28.212
tors. eta vs tors. theta energy: -49.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -566.247633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.247633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.247633 (E_RNA)
where:
Base-Base interactions energy: -374.488
where: short stacking energy: -166.703
Base-Backbone interact. energy: -0.025
local terms energy: -191.734758
where:
bonds (distance) C4'-P energy: -35.845
bonds (distance) P-C4' energy: -39.103
flat angles C4'-P-C4' energy: -36.309
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -52.458
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: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -522.975506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.975506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.975506 (E_RNA)
where:
Base-Base interactions energy: -362.523
where: short stacking energy: -150.826
Base-Backbone interact. energy: 0.010
local terms energy: -160.462083
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -29.897
flat angles C4'-P-C4' energy: -37.820
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -39.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -535.437561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.437561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.437561 (E_RNA)
where:
Base-Base interactions energy: -359.082
where: short stacking energy: -165.332
Base-Backbone interact. energy: -0.102
local terms energy: -176.313918
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -33.795
flat angles C4'-P-C4' energy: -37.395
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -57.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.061 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -426.562385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.562385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.562385 (E_RNA)
where:
Base-Base interactions energy: -272.597
where: short stacking energy: -113.813
Base-Backbone interact. energy: -0.279
local terms energy: -153.686734
where:
bonds (distance) C4'-P energy: -31.557
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -33.220
flat angles P-C4'-P energy: -20.279
tors. eta vs tors. theta energy: -29.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -429.233504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.233504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.233504 (E_RNA)
where:
Base-Base interactions energy: -288.055
where: short stacking energy: -135.909
Base-Backbone interact. energy: 0.576
local terms energy: -141.754417
where:
bonds (distance) C4'-P energy: -31.934
bonds (distance) P-C4' energy: -30.976
flat angles C4'-P-C4' energy: -26.753
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -35.241
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: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -373.808671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.808671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.808671 (E_RNA)
where:
Base-Base interactions energy: -235.257
where: short stacking energy: -111.951
Base-Backbone interact. energy: -0.261
local terms energy: -138.290940
where:
bonds (distance) C4'-P energy: -27.223
bonds (distance) P-C4' energy: -32.265
flat angles C4'-P-C4' energy: -35.455
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -23.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -309.529872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.529872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.529872 (E_RNA)
where:
Base-Base interactions energy: -182.112
where: short stacking energy: -80.817
Base-Backbone interact. energy: -0.865
local terms energy: -126.553275
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -27.718
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -172.674914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.674914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.674914 (E_RNA)
where:
Base-Base interactions energy: -78.481
where: short stacking energy: -50.237
Base-Backbone interact. energy: -0.035
local terms energy: -94.159656
where:
bonds (distance) C4'-P energy: -28.059
bonds (distance) P-C4' energy: -33.306
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -150.005376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.005376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.005376 (E_RNA)
where:
Base-Base interactions energy: -57.564
where: short stacking energy: -43.839
Base-Backbone interact. energy: 0.121
local terms energy: -92.562600
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -29.607
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -566.773946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.773946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.773946 (E_RNA)
where:
Base-Base interactions energy: -382.463
where: short stacking energy: -161.531
Base-Backbone interact. energy: -0.491
local terms energy: -183.820734
where:
bonds (distance) C4'-P energy: -33.871
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -37.989
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -47.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -529.262314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.262314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.262314 (E_RNA)
where:
Base-Base interactions energy: -365.346
where: short stacking energy: -135.934
Base-Backbone interact. energy: 4.043
local terms energy: -167.960029
where:
bonds (distance) C4'-P energy: -34.467
bonds (distance) P-C4' energy: -33.630
flat angles C4'-P-C4' energy: -35.414
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -40.300
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: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -561.006442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.006442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.006442 (E_RNA)
where:
Base-Base interactions energy: -381.980
where: short stacking energy: -160.702
Base-Backbone interact. energy: -0.002
local terms energy: -179.024514
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -31.202
flat angles C4'-P-C4' energy: -34.678
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: -55.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -526.753485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.753485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.753485 (E_RNA)
where:
Base-Base interactions energy: -359.048
where: short stacking energy: -154.390
Base-Backbone interact. energy: -0.016
local terms energy: -167.689572
where:
bonds (distance) C4'-P energy: -25.244
bonds (distance) P-C4' energy: -33.515
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -25.661
tors. eta vs tors. theta energy: -49.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -429.037789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.037789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.037789 (E_RNA)
where:
Base-Base interactions energy: -276.467
where: short stacking energy: -124.932
Base-Backbone interact. energy: -1.009
local terms energy: -151.561170
where:
bonds (distance) C4'-P energy: -27.110
bonds (distance) P-C4' energy: -35.472
flat angles C4'-P-C4' energy: -33.605
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -39.821
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: 241
Temperature: 1.150000
Total energy: -439.458544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.458544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.458544 (E_RNA)
where:
Base-Base interactions energy: -292.568
where: short stacking energy: -128.507
Base-Backbone interact. energy: -0.019
local terms energy: -146.871510
where:
bonds (distance) C4'-P energy: -27.490
bonds (distance) P-C4' energy: -31.989
flat angles C4'-P-C4' energy: -34.818
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -31.139
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: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -416.980095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.980095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.980095 (E_RNA)
where:
Base-Base interactions energy: -270.136
where: short stacking energy: -117.376
Base-Backbone interact. energy: -0.722
local terms energy: -146.121826
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -33.060
flat angles C4'-P-C4' energy: -28.215
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -32.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -345.684309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.684309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.684309 (E_RNA)
where:
Base-Base interactions energy: -210.548
where: short stacking energy: -105.231
Base-Backbone interact. energy: -0.717
local terms energy: -134.419223
where:
bonds (distance) C4'-P energy: -28.460
bonds (distance) P-C4' energy: -29.377
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -153.587689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.587689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.587689 (E_RNA)
where:
Base-Base interactions energy: -68.870
where: short stacking energy: -46.911
Base-Backbone interact. energy: -1.706
local terms energy: -83.011716
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: 5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -177.679387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.679387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.679387 (E_RNA)
where:
Base-Base interactions energy: -75.460
where: short stacking energy: -52.601
Base-Backbone interact. energy: -0.047
local terms energy: -102.172189
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -30.380
flat angles C4'-P-C4' energy: -27.472
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -570.671847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.671847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.671847 (E_RNA)
where:
Base-Base interactions energy: -385.039
where: short stacking energy: -163.025
Base-Backbone interact. energy: -0.923
local terms energy: -184.709635
where:
bonds (distance) C4'-P energy: -37.721
bonds (distance) P-C4' energy: -39.912
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -25.351
tors. eta vs tors. theta energy: -49.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -542.485062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.485062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.485062 (E_RNA)
where:
Base-Base interactions energy: -378.904
where: short stacking energy: -148.928
Base-Backbone interact. energy: -0.195
local terms energy: -163.385903
where:
bonds (distance) C4'-P energy: -31.245
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -35.036
flat angles P-C4'-P energy: -25.450
tors. eta vs tors. theta energy: -37.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -548.489645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.489645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.489645 (E_RNA)
where:
Base-Base interactions energy: -370.404
where: short stacking energy: -166.004
Base-Backbone interact. energy: 0.051
local terms energy: -178.484158
where:
bonds (distance) C4'-P energy: -30.885
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -52.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.348 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -511.044760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.044760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.044760 (E_RNA)
where:
Base-Base interactions energy: -366.132
where: short stacking energy: -143.908
Base-Backbone interact. energy: -0.081
local terms energy: -144.842345
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -25.859
flat angles P-C4'-P energy: -28.684
tors. eta vs tors. theta energy: -41.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.011 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -462.140469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.140469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.140469 (E_RNA)
where:
Base-Base interactions energy: -311.887
where: short stacking energy: -126.922
Base-Backbone interact. energy: -0.484
local terms energy: -149.769656
where:
bonds (distance) C4'-P energy: -28.806
bonds (distance) P-C4' energy: -34.199
flat angles C4'-P-C4' energy: -33.578
flat angles P-C4'-P energy: -25.505
tors. eta vs tors. theta energy: -27.683
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: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -466.228596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.228596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.228596 (E_RNA)
where:
Base-Base interactions energy: -297.599
where: short stacking energy: -125.522
Base-Backbone interact. energy: -0.188
local terms energy: -169.286889
where:
bonds (distance) C4'-P energy: -35.960
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -35.842
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -45.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.846 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -326.683140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.683140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.683140 (E_RNA)
where:
Base-Base interactions energy: -190.618
where: short stacking energy: -86.259
Base-Backbone interact. energy: 1.342
local terms energy: -137.407269
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -29.520
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -23.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -371.393619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.393619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.393619 (E_RNA)
where:
Base-Base interactions energy: -240.838
where: short stacking energy: -112.768
Base-Backbone interact. energy: 0.416
local terms energy: -130.971977
where:
bonds (distance) C4'-P energy: -29.790
bonds (distance) P-C4' energy: -30.680
flat angles C4'-P-C4' energy: -24.267
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -26.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -161.997836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.997836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.997836 (E_RNA)
where:
Base-Base interactions energy: -65.870
where: short stacking energy: -55.124
Base-Backbone interact. energy: -0.354
local terms energy: -95.774265
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -37.861
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -158.389334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.389334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.389334 (E_RNA)
where:
Base-Base interactions energy: -62.043
where: short stacking energy: -41.265
Base-Backbone interact. energy: 1.691
local terms energy: -98.037331
where:
bonds (distance) C4'-P energy: -29.846
bonds (distance) P-C4' energy: -32.918
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: 5.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -554.345853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.345853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.345853 (E_RNA)
where:
Base-Base interactions energy: -375.652
where: short stacking energy: -162.433
Base-Backbone interact. energy: -0.329
local terms energy: -178.365080
where:
bonds (distance) C4'-P energy: -38.357
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -36.716
flat angles P-C4'-P energy: -24.800
tors. eta vs tors. theta energy: -43.405
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: 243
Temperature: 0.950000
Total energy: -565.450171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.450171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.450171 (E_RNA)
where:
Base-Base interactions energy: -379.579
where: short stacking energy: -169.529
Base-Backbone interact. energy: -0.327
local terms energy: -185.658845
where:
bonds (distance) C4'-P energy: -37.550
bonds (distance) P-C4' energy: -38.579
flat angles C4'-P-C4' energy: -36.056
flat angles P-C4'-P energy: -24.758
tors. eta vs tors. theta energy: -48.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.115 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -533.620104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.620104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.620104 (E_RNA)
where:
Base-Base interactions energy: -385.752
where: short stacking energy: -156.472
Base-Backbone interact. energy: 1.448
local terms energy: -149.340018
where:
bonds (distance) C4'-P energy: -30.682
bonds (distance) P-C4' energy: -23.366
flat angles C4'-P-C4' energy: -35.640
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -44.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.025 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -523.763078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.763078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.763078 (E_RNA)
where:
Base-Base interactions energy: -349.637
where: short stacking energy: -154.310
Base-Backbone interact. energy: -0.034
local terms energy: -174.092274
where:
bonds (distance) C4'-P energy: -27.502
bonds (distance) P-C4' energy: -36.377
flat angles C4'-P-C4' energy: -38.419
flat angles P-C4'-P energy: -25.416
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: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -441.243432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.243432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.243432 (E_RNA)
where:
Base-Base interactions energy: -285.497
where: short stacking energy: -123.125
Base-Backbone interact. energy: -0.037
local terms energy: -155.709100
where:
bonds (distance) C4'-P energy: -33.148
bonds (distance) P-C4' energy: -36.349
flat angles C4'-P-C4' energy: -33.582
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -29.579
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: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -468.638113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.638113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.638113 (E_RNA)
where:
Base-Base interactions energy: -320.295
where: short stacking energy: -147.632
Base-Backbone interact. energy: 0.531
local terms energy: -148.873948
where:
bonds (distance) C4'-P energy: -31.887
bonds (distance) P-C4' energy: -26.413
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -19.080
tors. eta vs tors. theta energy: -42.726
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: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -371.290305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.290305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.290305 (E_RNA)
where:
Base-Base interactions energy: -228.579
where: short stacking energy: -98.309
Base-Backbone interact. energy: -0.237
local terms energy: -142.474811
where:
bonds (distance) C4'-P energy: -34.477
bonds (distance) P-C4' energy: -34.338
flat angles C4'-P-C4' energy: -32.063
flat angles P-C4'-P energy: -22.178
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -318.664249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.664249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.664249 (E_RNA)
where:
Base-Base interactions energy: -196.380
where: short stacking energy: -69.670
Base-Backbone interact. energy: 0.192
local terms energy: -122.476139
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -29.269
flat angles C4'-P-C4' energy: -36.505
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -169.273714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.273714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.273714 (E_RNA)
where:
Base-Base interactions energy: -70.487
where: short stacking energy: -43.909
Base-Backbone interact. energy: -1.191
local terms energy: -97.595898
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -26.628
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -6.949
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: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -160.808657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.808657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.808657 (E_RNA)
where:
Base-Base interactions energy: -78.112
where: short stacking energy: -51.439
Base-Backbone interact. energy: -0.088
local terms energy: -82.608866
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -30.374
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: 0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -559.752461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.752461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.752461 (E_RNA)
where:
Base-Base interactions energy: -380.002
where: short stacking energy: -172.778
Base-Backbone interact. energy: -0.219
local terms energy: -179.531936
where:
bonds (distance) C4'-P energy: -36.061
bonds (distance) P-C4' energy: -31.637
flat angles C4'-P-C4' energy: -36.022
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -53.884
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: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -542.817209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.817209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.817209 (E_RNA)
where:
Base-Base interactions energy: -365.198
where: short stacking energy: -154.982
Base-Backbone interact. energy: -0.598
local terms energy: -177.021147
where:
bonds (distance) C4'-P energy: -30.264
bonds (distance) P-C4' energy: -33.727
flat angles C4'-P-C4' energy: -40.438
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -45.236
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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -518.893082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.893082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.893082 (E_RNA)
where:
Base-Base interactions energy: -346.836
where: short stacking energy: -157.220
Base-Backbone interact. energy: -0.286
local terms energy: -171.770832
where:
bonds (distance) C4'-P energy: -29.466
bonds (distance) P-C4' energy: -27.380
flat angles C4'-P-C4' energy: -34.854
flat angles P-C4'-P energy: -31.473
tors. eta vs tors. theta energy: -48.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -517.228047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.228047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.228047 (E_RNA)
where:
Base-Base interactions energy: -357.432
where: short stacking energy: -152.210
Base-Backbone interact. energy: -0.698
local terms energy: -159.097689
where:
bonds (distance) C4'-P energy: -27.305
bonds (distance) P-C4' energy: -32.147
flat angles C4'-P-C4' energy: -33.736
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -46.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -466.732677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.732677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.732677 (E_RNA)
where:
Base-Base interactions energy: -311.464
where: short stacking energy: -133.338
Base-Backbone interact. energy: -0.594
local terms energy: -154.879078
where:
bonds (distance) C4'-P energy: -26.871
bonds (distance) P-C4' energy: -35.673
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -25.013
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: 0.204 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -453.511757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.511757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.511757 (E_RNA)
where:
Base-Base interactions energy: -299.069
where: short stacking energy: -114.577
Base-Backbone interact. energy: 0.374
local terms energy: -154.816519
where:
bonds (distance) C4'-P energy: -29.432
bonds (distance) P-C4' energy: -40.582
flat angles C4'-P-C4' energy: -28.023
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -34.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -384.871331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.871331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.871331 (E_RNA)
where:
Base-Base interactions energy: -234.491
where: short stacking energy: -115.609
Base-Backbone interact. energy: 0.062
local terms energy: -150.441424
where:
bonds (distance) C4'-P energy: -26.836
bonds (distance) P-C4' energy: -36.950
flat angles C4'-P-C4' energy: -34.089
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -31.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -313.687638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.687638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.687638 (E_RNA)
where:
Base-Base interactions energy: -198.409
where: short stacking energy: -100.338
Base-Backbone interact. energy: 2.156
local terms energy: -117.434960
where:
bonds (distance) C4'-P energy: -28.554
bonds (distance) P-C4' energy: -29.578
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -156.301055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.301055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.301055 (E_RNA)
where:
Base-Base interactions energy: -52.257
where: short stacking energy: -41.953
Base-Backbone interact. energy: 0.060
local terms energy: -104.103826
where:
bonds (distance) C4'-P energy: -32.616
bonds (distance) P-C4' energy: -37.951
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -13.723
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: 244
Temperature: 1.350000
Total energy: -167.767633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.767633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.767633 (E_RNA)
where:
Base-Base interactions energy: -70.497
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.554
local terms energy: -97.239778
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -31.866
flat angles C4'-P-C4' energy: -25.306
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.523 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -557.195820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.195820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.195820 (E_RNA)
where:
Base-Base interactions energy: -378.608
where: short stacking energy: -166.002
Base-Backbone interact. energy: -0.005
local terms energy: -179.401448
where:
bonds (distance) C4'-P energy: -30.964
bonds (distance) P-C4' energy: -33.711
flat angles C4'-P-C4' energy: -37.908
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -50.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.819 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -552.809313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.809313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.809313 (E_RNA)
where:
Base-Base interactions energy: -375.875
where: short stacking energy: -160.856
Base-Backbone interact. energy: -0.091
local terms energy: -176.843278
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -33.171
flat angles C4'-P-C4' energy: -39.336
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -48.591
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: 245
Temperature: 1.000000
Total energy: -539.752968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.752968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.752968 (E_RNA)
where:
Base-Base interactions energy: -372.475
where: short stacking energy: -177.388
Base-Backbone interact. energy: -0.578
local terms energy: -166.700423
where:
bonds (distance) C4'-P energy: -21.993
bonds (distance) P-C4' energy: -33.611
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -22.617
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: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -535.034745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.034745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.034745 (E_RNA)
where:
Base-Base interactions energy: -367.845
where: short stacking energy: -137.007
Base-Backbone interact. energy: -0.281
local terms energy: -166.909463
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -36.100
flat angles C4'-P-C4' energy: -34.243
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -38.406
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: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -480.712806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.712806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.712806 (E_RNA)
where:
Base-Base interactions energy: -309.139
where: short stacking energy: -145.406
Base-Backbone interact. energy: -0.354
local terms energy: -171.219647
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -30.713
flat angles C4'-P-C4' energy: -36.607
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -47.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -424.856554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.856554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.856554 (E_RNA)
where:
Base-Base interactions energy: -282.873
where: short stacking energy: -117.818
Base-Backbone interact. energy: -1.231
local terms energy: -140.753438
where:
bonds (distance) C4'-P energy: -29.448
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -28.489
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -31.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -362.617357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.617357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.617357 (E_RNA)
where:
Base-Base interactions energy: -241.719
where: short stacking energy: -100.866
Base-Backbone interact. energy: -0.216
local terms energy: -120.682161
where:
bonds (distance) C4'-P energy: -26.517
bonds (distance) P-C4' energy: -34.369
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -26.590
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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -305.221924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.221924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.221924 (E_RNA)
where:
Base-Base interactions energy: -186.859
where: short stacking energy: -85.975
Base-Backbone interact. energy: 0.074
local terms energy: -118.436925
where:
bonds (distance) C4'-P energy: -27.163
bonds (distance) P-C4' energy: -29.371
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: -12.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -169.439012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.439012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.439012 (E_RNA)
where:
Base-Base interactions energy: -64.591
where: short stacking energy: -59.024
Base-Backbone interact. energy: 0.252
local terms energy: -105.100255
where:
bonds (distance) C4'-P energy: -32.223
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: 0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -155.010490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.010490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.010490 (E_RNA)
where:
Base-Base interactions energy: -43.991
where: short stacking energy: -33.360
Base-Backbone interact. energy: -1.129
local terms energy: -109.890556
where:
bonds (distance) C4'-P energy: -32.577
bonds (distance) P-C4' energy: -26.468
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -574.699085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.699085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.699085 (E_RNA)
where:
Base-Base interactions energy: -382.880
where: short stacking energy: -171.184
Base-Backbone interact. energy: -0.012
local terms energy: -191.807253
where:
bonds (distance) C4'-P energy: -32.165
bonds (distance) P-C4' energy: -39.877
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -29.661
tors. eta vs tors. theta energy: -53.032
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: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -547.617395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.617395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.617395 (E_RNA)
where:
Base-Base interactions energy: -371.538
where: short stacking energy: -157.407
Base-Backbone interact. energy: -0.207
local terms energy: -175.872803
where:
bonds (distance) C4'-P energy: -34.480
bonds (distance) P-C4' energy: -32.605
flat angles C4'-P-C4' energy: -40.183
flat angles P-C4'-P energy: -22.310
tors. eta vs tors. theta energy: -46.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -551.876330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.876330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.876330 (E_RNA)
where:
Base-Base interactions energy: -366.234
where: short stacking energy: -167.197
Base-Backbone interact. energy: -0.416
local terms energy: -185.226760
where:
bonds (distance) C4'-P energy: -32.884
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -38.460
flat angles P-C4'-P energy: -25.677
tors. eta vs tors. theta energy: -56.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -509.053271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.053271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.053271 (E_RNA)
where:
Base-Base interactions energy: -333.207
where: short stacking energy: -141.432
Base-Backbone interact. energy: -1.240
local terms energy: -174.606120
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -38.251
flat angles C4'-P-C4' energy: -35.250
flat angles P-C4'-P energy: -27.158
tors. eta vs tors. theta energy: -41.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -474.098517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.098517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.098517 (E_RNA)
where:
Base-Base interactions energy: -321.731
where: short stacking energy: -136.903
Base-Backbone interact. energy: -0.166
local terms energy: -152.201557
where:
bonds (distance) C4'-P energy: -25.900
bonds (distance) P-C4' energy: -34.947
flat angles C4'-P-C4' energy: -32.417
flat angles P-C4'-P energy: -18.801
tors. eta vs tors. theta energy: -40.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -449.641112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.641112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.641112 (E_RNA)
where:
Base-Base interactions energy: -310.946
where: short stacking energy: -135.139
Base-Backbone interact. energy: -0.433
local terms energy: -138.262100
where:
bonds (distance) C4'-P energy: -34.113
bonds (distance) P-C4' energy: -26.418
flat angles C4'-P-C4' energy: -31.478
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -41.116
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: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -346.465860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.465860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.465860 (E_RNA)
where:
Base-Base interactions energy: -230.849
where: short stacking energy: -104.603
Base-Backbone interact. energy: -0.319
local terms energy: -115.297871
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -315.004473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.004473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.004473 (E_RNA)
where:
Base-Base interactions energy: -194.320
where: short stacking energy: -99.514
Base-Backbone interact. energy: -0.355
local terms energy: -120.329811
where:
bonds (distance) C4'-P energy: -29.401
bonds (distance) P-C4' energy: -32.741
flat angles C4'-P-C4' energy: -23.441
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -157.607321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.607321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.607321 (E_RNA)
where:
Base-Base interactions energy: -53.721
where: short stacking energy: -49.549
Base-Backbone interact. energy: 0.427
local terms energy: -104.313942
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -29.173
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -20.072
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -140.727067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.727067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.727067 (E_RNA)
where:
Base-Base interactions energy: -48.874
where: short stacking energy: -41.270
Base-Backbone interact. energy: 1.450
local terms energy: -93.303686
where:
bonds (distance) C4'-P energy: -18.603
bonds (distance) P-C4' energy: -33.254
flat angles C4'-P-C4' energy: -23.639
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: 2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -568.149699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.149699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.149699 (E_RNA)
where:
Base-Base interactions energy: -391.106
where: short stacking energy: -168.749
Base-Backbone interact. energy: -0.649
local terms energy: -177.135505
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -30.680
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -28.192
tors. eta vs tors. theta energy: -52.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.740 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -559.259569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.259569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.259569 (E_RNA)
where:
Base-Base interactions energy: -375.453
where: short stacking energy: -177.026
Base-Backbone interact. energy: -0.011
local terms energy: -184.018446
where:
bonds (distance) C4'-P energy: -28.915
bonds (distance) P-C4' energy: -36.507
flat angles C4'-P-C4' energy: -35.991
flat angles P-C4'-P energy: -25.042
tors. eta vs tors. theta energy: -57.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.223 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -545.534760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.534760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.534760 (E_RNA)
where:
Base-Base interactions energy: -372.511
where: short stacking energy: -151.240
Base-Backbone interact. energy: -0.434
local terms energy: -172.589701
where:
bonds (distance) C4'-P energy: -30.066
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -26.797
tors. eta vs tors. theta energy: -45.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -507.039147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.039147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.039147 (E_RNA)
where:
Base-Base interactions energy: -341.804
where: short stacking energy: -144.050
Base-Backbone interact. energy: -3.752
local terms energy: -161.483822
where:
bonds (distance) C4'-P energy: -31.101
bonds (distance) P-C4' energy: -30.035
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -27.567
tors. eta vs tors. theta energy: -37.001
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: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -484.923578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.923578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.923578 (E_RNA)
where:
Base-Base interactions energy: -346.464
where: short stacking energy: -142.325
Base-Backbone interact. energy: -0.382
local terms energy: -138.077383
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -29.373
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -43.618
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: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -438.543617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.543617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.543617 (E_RNA)
where:
Base-Base interactions energy: -292.736
where: short stacking energy: -133.121
Base-Backbone interact. energy: -0.184
local terms energy: -145.623636
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -30.433
flat angles C4'-P-C4' energy: -31.732
flat angles P-C4'-P energy: -18.492
tors. eta vs tors. theta energy: -33.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -384.262625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.262625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.262625 (E_RNA)
where:
Base-Base interactions energy: -248.702
where: short stacking energy: -117.058
Base-Backbone interact. energy: -0.284
local terms energy: -135.564823
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -30.108
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -28.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.289 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -293.699101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.699101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.699101 (E_RNA)
where:
Base-Base interactions energy: -164.545
where: short stacking energy: -80.651
Base-Backbone interact. energy: -0.792
local terms energy: -128.362007
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -32.179
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -26.802
tors. eta vs tors. theta energy: -14.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -167.842275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.842275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.842275 (E_RNA)
where:
Base-Base interactions energy: -63.069
where: short stacking energy: -60.549
Base-Backbone interact. energy: 0.427
local terms energy: -105.200021
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -22.635
tors. eta vs tors. theta energy: -4.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -168.490353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.490353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.490353 (E_RNA)
where:
Base-Base interactions energy: -56.861
where: short stacking energy: -48.868
Base-Backbone interact. energy: -0.834
local terms energy: -110.794751
where:
bonds (distance) C4'-P energy: -31.773
bonds (distance) P-C4' energy: -37.811
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: 4.052
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: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -573.093654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.093654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.093654 (E_RNA)
where:
Base-Base interactions energy: -382.966
where: short stacking energy: -163.677
Base-Backbone interact. energy: -0.015
local terms energy: -190.547210
where:
bonds (distance) C4'-P energy: -35.819
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -37.618
flat angles P-C4'-P energy: -24.455
tors. eta vs tors. theta energy: -57.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.435 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -558.439470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.439470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.439470 (E_RNA)
where:
Base-Base interactions energy: -386.891
where: short stacking energy: -162.885
Base-Backbone interact. energy: -0.543
local terms energy: -171.005461
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -35.168
flat angles P-C4'-P energy: -28.717
tors. eta vs tors. theta energy: -50.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -535.482742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.482742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.482742 (E_RNA)
where:
Base-Base interactions energy: -374.412
where: short stacking energy: -154.282
Base-Backbone interact. energy: 0.245
local terms energy: -161.315623
where:
bonds (distance) C4'-P energy: -29.154
bonds (distance) P-C4' energy: -34.786
flat angles C4'-P-C4' energy: -31.308
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: -45.858
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: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -515.604922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.604922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.604922 (E_RNA)
where:
Base-Base interactions energy: -352.872
where: short stacking energy: -160.327
Base-Backbone interact. energy: -1.375
local terms energy: -161.430317
where:
bonds (distance) C4'-P energy: -32.206
bonds (distance) P-C4' energy: -27.218
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -22.646
tors. eta vs tors. theta energy: -44.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.072 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -479.315484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.315484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.315484 (E_RNA)
where:
Base-Base interactions energy: -329.718
where: short stacking energy: -127.581
Base-Backbone interact. energy: -0.264
local terms energy: -149.333887
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -32.938
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -38.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -445.322221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.322221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.322221 (E_RNA)
where:
Base-Base interactions energy: -304.754
where: short stacking energy: -137.630
Base-Backbone interact. energy: 0.793
local terms energy: -141.361194
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -29.665
flat angles C4'-P-C4' energy: -33.265
flat angles P-C4'-P energy: -18.982
tors. eta vs tors. theta energy: -36.965
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: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -382.738810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.738810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.738810 (E_RNA)
where:
Base-Base interactions energy: -240.165
where: short stacking energy: -108.905
Base-Backbone interact. energy: -0.330
local terms energy: -142.243843
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -30.055
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -31.026
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: 8, replica: 8
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -348.242427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.242427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.242427 (E_RNA)
where:
Base-Base interactions energy: -211.244
where: short stacking energy: -90.582
Base-Backbone interact. energy: -0.589
local terms energy: -136.409634
where:
bonds (distance) C4'-P energy: -32.570
bonds (distance) P-C4' energy: -29.340
flat angles C4'-P-C4' energy: -31.609
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -195.167742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.167742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.167742 (E_RNA)
where:
Base-Base interactions energy: -105.109
where: short stacking energy: -52.153
Base-Backbone interact. energy: 2.156
local terms energy: -92.215009
where:
bonds (distance) C4'-P energy: -23.861
bonds (distance) P-C4' energy: -30.990
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -143.977206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.977206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.977206 (E_RNA)
where:
Base-Base interactions energy: -42.033
where: short stacking energy: -32.245
Base-Backbone interact. energy: 0.364
local terms energy: -102.308475
where:
bonds (distance) C4'-P energy: -34.691
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -26.135
flat angles P-C4'-P energy: -24.265
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: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -579.982736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.982736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.982736 (E_RNA)
where:
Base-Base interactions energy: -387.872
where: short stacking energy: -168.019
Base-Backbone interact. energy: -0.423
local terms energy: -191.687658
where:
bonds (distance) C4'-P energy: -30.038
bonds (distance) P-C4' energy: -37.226
flat angles C4'-P-C4' energy: -36.503
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -58.069
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: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -576.530139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.530139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.530139 (E_RNA)
where:
Base-Base interactions energy: -388.407
where: short stacking energy: -173.906
Base-Backbone interact. energy: 0.656
local terms energy: -188.779256
where:
bonds (distance) C4'-P energy: -36.122
bonds (distance) P-C4' energy: -32.066
flat angles C4'-P-C4' energy: -38.145
flat angles P-C4'-P energy: -30.670
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: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -545.488893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.488893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.488893 (E_RNA)
where:
Base-Base interactions energy: -376.510
where: short stacking energy: -154.604
Base-Backbone interact. energy: -1.758
local terms energy: -167.220429
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -35.720
flat angles C4'-P-C4' energy: -36.470
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: -43.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -506.848761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.848761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.848761 (E_RNA)
where:
Base-Base interactions energy: -340.840
where: short stacking energy: -147.754
Base-Backbone interact. energy: 0.606
local terms energy: -166.614649
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -34.913
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -45.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -464.395097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.395097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.395097 (E_RNA)
where:
Base-Base interactions energy: -307.448
where: short stacking energy: -142.819
Base-Backbone interact. energy: -0.394
local terms energy: -156.829400
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -31.951
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -27.660
tors. eta vs tors. theta energy: -38.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.277 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -386.909330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.909330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.909330 (E_RNA)
where:
Base-Base interactions energy: -253.229
where: short stacking energy: -114.503
Base-Backbone interact. energy: 0.386
local terms energy: -134.917009
where:
bonds (distance) C4'-P energy: -25.630
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -30.450
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -28.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.851 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -447.705187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.705187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.705187 (E_RNA)
where:
Base-Base interactions energy: -299.102
where: short stacking energy: -127.274
Base-Backbone interact. energy: 0.467
local terms energy: -149.069672
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -28.206
flat angles P-C4'-P energy: -23.966
tors. eta vs tors. theta energy: -40.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -310.277920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.277920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.277920 (E_RNA)
where:
Base-Base interactions energy: -197.467
where: short stacking energy: -94.591
Base-Backbone interact. energy: 0.414
local terms energy: -113.224893
where:
bonds (distance) C4'-P energy: -29.220
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -170.752922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.752922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.752922 (E_RNA)
where:
Base-Base interactions energy: -69.153
where: short stacking energy: -52.227
Base-Backbone interact. energy: -0.731
local terms energy: -100.869231
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -36.307
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -16.332
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -159.031178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.031178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.031178 (E_RNA)
where:
Base-Base interactions energy: -55.480
where: short stacking energy: -55.917
Base-Backbone interact. energy: -0.291
local terms energy: -103.483321
where:
bonds (distance) C4'-P energy: -23.509
bonds (distance) P-C4' energy: -30.280
flat angles C4'-P-C4' energy: -28.772
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.224 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -568.832577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.832577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.832577 (E_RNA)
where:
Base-Base interactions energy: -384.290
where: short stacking energy: -163.949
Base-Backbone interact. energy: -0.515
local terms energy: -184.027408
where:
bonds (distance) C4'-P energy: -32.181
bonds (distance) P-C4' energy: -38.216
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -52.387
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: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -555.790502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.790502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.790502 (E_RNA)
where:
Base-Base interactions energy: -384.111
where: short stacking energy: -170.479
Base-Backbone interact. energy: -0.016
local terms energy: -171.664340
where:
bonds (distance) C4'-P energy: -28.208
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -34.537
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: -53.906
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: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -525.311372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.311372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.311372 (E_RNA)
where:
Base-Base interactions energy: -354.988
where: short stacking energy: -148.184
Base-Backbone interact. energy: -1.473
local terms energy: -168.850301
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -35.646
flat angles C4'-P-C4' energy: -39.664
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -43.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -525.344636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.344636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.344636 (E_RNA)
where:
Base-Base interactions energy: -350.109
where: short stacking energy: -149.236
Base-Backbone interact. energy: 0.220
local terms energy: -175.455360
where:
bonds (distance) C4'-P energy: -33.727
bonds (distance) P-C4' energy: -30.183
flat angles C4'-P-C4' energy: -37.836
flat angles P-C4'-P energy: -29.429
tors. eta vs tors. theta energy: -44.280
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: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -464.222889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.222889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.222889 (E_RNA)
where:
Base-Base interactions energy: -315.646
where: short stacking energy: -133.747
Base-Backbone interact. energy: -0.409
local terms energy: -148.168496
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -34.120
flat angles C4'-P-C4' energy: -33.624
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -34.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -376.829996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.829996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.829996 (E_RNA)
where:
Base-Base interactions energy: -224.738
where: short stacking energy: -102.548
Base-Backbone interact. energy: 0.526
local terms energy: -152.801746
where:
bonds (distance) C4'-P energy: -35.511
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -31.332
flat angles P-C4'-P energy: -19.647
tors. eta vs tors. theta energy: -27.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.184 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -423.690044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.690044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.690044 (E_RNA)
where:
Base-Base interactions energy: -292.909
where: short stacking energy: -123.522
Base-Backbone interact. energy: -1.880
local terms energy: -128.969758
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -28.300
flat angles C4'-P-C4' energy: -25.770
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -35.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.069 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -308.589715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.589715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.589715 (E_RNA)
where:
Base-Base interactions energy: -180.883
where: short stacking energy: -103.025
Base-Backbone interact. energy: -0.964
local terms energy: -126.742502
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -30.347
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -28.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -190.326775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.326775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.326775 (E_RNA)
where:
Base-Base interactions energy: -87.502
where: short stacking energy: -45.610
Base-Backbone interact. energy: -0.265
local terms energy: -102.559406
where:
bonds (distance) C4'-P energy: -34.207
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -15.970
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: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -149.198329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.198329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.198329 (E_RNA)
where:
Base-Base interactions energy: -37.083
where: short stacking energy: -34.463
Base-Backbone interact. energy: -0.566
local terms energy: -111.862944
where:
bonds (distance) C4'-P energy: -38.312
bonds (distance) P-C4' energy: -33.303
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: 7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.313 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -581.112437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.112437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.112437 (E_RNA)
where:
Base-Base interactions energy: -391.361
where: short stacking energy: -167.185
Base-Backbone interact. energy: -0.196
local terms energy: -190.806824
where:
bonds (distance) C4'-P energy: -36.609
bonds (distance) P-C4' energy: -37.852
flat angles C4'-P-C4' energy: -34.915
flat angles P-C4'-P energy: -28.521
tors. eta vs tors. theta energy: -52.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.252 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -561.907511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.907511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.907511 (E_RNA)
where:
Base-Base interactions energy: -385.432
where: short stacking energy: -175.773
Base-Backbone interact. energy: -0.248
local terms energy: -176.227732
where:
bonds (distance) C4'-P energy: -33.633
bonds (distance) P-C4' energy: -32.896
flat angles C4'-P-C4' energy: -35.939
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -53.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -514.258859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.258859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.258859 (E_RNA)
where:
Base-Base interactions energy: -352.527
where: short stacking energy: -139.101
Base-Backbone interact. energy: 1.490
local terms energy: -163.222548
where:
bonds (distance) C4'-P energy: -36.365
bonds (distance) P-C4' energy: -35.485
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -38.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -524.444556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.444556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.444556 (E_RNA)
where:
Base-Base interactions energy: -357.291
where: short stacking energy: -152.735
Base-Backbone interact. energy: 0.275
local terms energy: -167.428534
where:
bonds (distance) C4'-P energy: -35.407
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -44.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -463.532106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.532106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.532106 (E_RNA)
where:
Base-Base interactions energy: -315.323
where: short stacking energy: -133.507
Base-Backbone interact. energy: -0.275
local terms energy: -148.164066
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -32.337
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -30.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.230 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -403.076846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.076846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.076846 (E_RNA)
where:
Base-Base interactions energy: -269.953
where: short stacking energy: -114.662
Base-Backbone interact. energy: 0.079
local terms energy: -133.202795
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -31.098
flat angles C4'-P-C4' energy: -28.557
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -375.135701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.135701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.135701 (E_RNA)
where:
Base-Base interactions energy: -239.451
where: short stacking energy: -102.354
Base-Backbone interact. energy: -3.099
local terms energy: -132.585323
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -33.112
flat angles C4'-P-C4' energy: -36.287
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -322.060659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.060659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.060659 (E_RNA)
where:
Base-Base interactions energy: -206.159
where: short stacking energy: -98.720
Base-Backbone interact. energy: -0.304
local terms energy: -115.766566
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -29.704
flat angles C4'-P-C4' energy: -26.308
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.169 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -173.506399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.506399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.506399 (E_RNA)
where:
Base-Base interactions energy: -70.977
where: short stacking energy: -55.676
Base-Backbone interact. energy: -0.986
local terms energy: -101.544025
where:
bonds (distance) C4'-P energy: -26.806
bonds (distance) P-C4' energy: -25.307
flat angles C4'-P-C4' energy: -34.258
flat angles P-C4'-P energy: -17.192
tors. eta vs tors. theta energy: 2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -169.048083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.048083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.048083 (E_RNA)
where:
Base-Base interactions energy: -62.060
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.339
local terms energy: -106.649381
where:
bonds (distance) C4'-P energy: -30.581
bonds (distance) P-C4' energy: -34.252
flat angles C4'-P-C4' energy: -25.224
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -571.673202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.673202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.673202 (E_RNA)
where:
Base-Base interactions energy: -386.698
where: short stacking energy: -168.579
Base-Backbone interact. energy: -0.038
local terms energy: -184.937571
where:
bonds (distance) C4'-P energy: -30.819
bonds (distance) P-C4' energy: -31.882
flat angles C4'-P-C4' energy: -41.500
flat angles P-C4'-P energy: -25.872
tors. eta vs tors. theta energy: -54.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -549.748431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.748431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.748431 (E_RNA)
where:
Base-Base interactions energy: -358.321
where: short stacking energy: -169.519
Base-Backbone interact. energy: 0.030
local terms energy: -191.458073
where:
bonds (distance) C4'-P energy: -35.377
bonds (distance) P-C4' energy: -35.885
flat angles C4'-P-C4' energy: -33.870
flat angles P-C4'-P energy: -30.698
tors. eta vs tors. theta energy: -55.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -519.924836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.924836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.924836 (E_RNA)
where:
Base-Base interactions energy: -345.519
where: short stacking energy: -140.719
Base-Backbone interact. energy: -0.226
local terms energy: -174.179012
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -39.364
flat angles C4'-P-C4' energy: -32.999
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: -43.530
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: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -518.463700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.463700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.463700 (E_RNA)
where:
Base-Base interactions energy: -360.546
where: short stacking energy: -156.608
Base-Backbone interact. energy: -0.734
local terms energy: -157.183685
where:
bonds (distance) C4'-P energy: -29.970
bonds (distance) P-C4' energy: -29.034
flat angles C4'-P-C4' energy: -34.006
flat angles P-C4'-P energy: -24.605
tors. eta vs tors. theta energy: -39.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -464.788333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.788333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.788333 (E_RNA)
where:
Base-Base interactions energy: -312.965
where: short stacking energy: -133.914
Base-Backbone interact. energy: -0.652
local terms energy: -151.171428
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -29.906
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -39.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -449.310070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.310070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.310070 (E_RNA)
where:
Base-Base interactions energy: -281.371
where: short stacking energy: -127.465
Base-Backbone interact. energy: -1.361
local terms energy: -166.577232
where:
bonds (distance) C4'-P energy: -28.700
bonds (distance) P-C4' energy: -38.042
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -25.714
tors. eta vs tors. theta energy: -39.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -383.554001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.554001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.554001 (E_RNA)
where:
Base-Base interactions energy: -248.019
where: short stacking energy: -119.750
Base-Backbone interact. energy: -0.335
local terms energy: -135.200304
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -33.534
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -29.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -342.648961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.648961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.648961 (E_RNA)
where:
Base-Base interactions energy: -223.794
where: short stacking energy: -110.701
Base-Backbone interact. energy: -0.632
local terms energy: -119.344899
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -30.382
flat angles C4'-P-C4' energy: -25.257
flat angles P-C4'-P energy: -20.116
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.122 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -227.621021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.621021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.621021 (E_RNA)
where:
Base-Base interactions energy: -121.466
where: short stacking energy: -62.447
Base-Backbone interact. energy: -0.242
local terms energy: -105.912687
where:
bonds (distance) C4'-P energy: -29.420
bonds (distance) P-C4' energy: -35.085
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -4.112
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: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -157.705074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.705074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.705074 (E_RNA)
where:
Base-Base interactions energy: -55.529
where: short stacking energy: -51.769
Base-Backbone interact. energy: -0.942
local terms energy: -101.234445
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: 2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -565.914975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.914975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.914975 (E_RNA)
where:
Base-Base interactions energy: -380.394
where: short stacking energy: -171.967
Base-Backbone interact. energy: -0.951
local terms energy: -184.570266
where:
bonds (distance) C4'-P energy: -36.445
bonds (distance) P-C4' energy: -34.848
flat angles C4'-P-C4' energy: -35.820
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -51.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -541.958636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.958636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.958636 (E_RNA)
where:
Base-Base interactions energy: -378.017
where: short stacking energy: -160.718
Base-Backbone interact. energy: -0.393
local terms energy: -163.547921
where:
bonds (distance) C4'-P energy: -32.250
bonds (distance) P-C4' energy: -30.813
flat angles C4'-P-C4' energy: -31.842
flat angles P-C4'-P energy: -25.477
tors. eta vs tors. theta energy: -43.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -531.009272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.009272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.009272 (E_RNA)
where:
Base-Base interactions energy: -356.810
where: short stacking energy: -151.580
Base-Backbone interact. energy: -0.026
local terms energy: -175.621794
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -37.573
flat angles C4'-P-C4' energy: -32.353
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -45.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.449 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -481.343366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.343366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.343366 (E_RNA)
where:
Base-Base interactions energy: -333.250
where: short stacking energy: -146.578
Base-Backbone interact. energy: -0.234
local terms energy: -150.101299
where:
bonds (distance) C4'-P energy: -21.224
bonds (distance) P-C4' energy: -28.924
flat angles C4'-P-C4' energy: -35.026
flat angles P-C4'-P energy: -25.179
tors. eta vs tors. theta energy: -39.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.242 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -499.849799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.849799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.849799 (E_RNA)
where:
Base-Base interactions energy: -350.673
where: short stacking energy: -148.682
Base-Backbone interact. energy: 0.036
local terms energy: -149.212515
where:
bonds (distance) C4'-P energy: -24.927
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -28.527
flat angles P-C4'-P energy: -22.022
tors. eta vs tors. theta energy: -44.834
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: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -453.374020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.374020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.374020 (E_RNA)
where:
Base-Base interactions energy: -304.816
where: short stacking energy: -128.697
Base-Backbone interact. energy: -0.335
local terms energy: -148.223128
where:
bonds (distance) C4'-P energy: -32.144
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -30.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -378.798597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.798597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.798597 (E_RNA)
where:
Base-Base interactions energy: -233.234
where: short stacking energy: -92.024
Base-Backbone interact. energy: 0.455
local terms energy: -146.019008
where:
bonds (distance) C4'-P energy: -31.472
bonds (distance) P-C4' energy: -35.170
flat angles C4'-P-C4' energy: -37.999
flat angles P-C4'-P energy: -17.519
tors. eta vs tors. theta energy: -23.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -308.980716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.980716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.980716 (E_RNA)
where:
Base-Base interactions energy: -177.063
where: short stacking energy: -88.921
Base-Backbone interact. energy: -0.462
local terms energy: -131.456345
where:
bonds (distance) C4'-P energy: -27.781
bonds (distance) P-C4' energy: -32.616
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -262.383439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.383439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.383439 (E_RNA)
where:
Base-Base interactions energy: -158.865
where: short stacking energy: -76.921
Base-Backbone interact. energy: 1.376
local terms energy: -104.894296
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -24.346
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -17.029
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -155.600520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.600520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.600520 (E_RNA)
where:
Base-Base interactions energy: -66.318
where: short stacking energy: -42.423
Base-Backbone interact. energy: -0.396
local terms energy: -88.885790
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -32.644
flat angles C4'-P-C4' energy: -26.557
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: 6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -560.519643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.519643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.519643 (E_RNA)
where:
Base-Base interactions energy: -377.025
where: short stacking energy: -173.450
Base-Backbone interact. energy: -0.732
local terms energy: -183.213180
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -32.962
flat angles C4'-P-C4' energy: -43.867
flat angles P-C4'-P energy: -29.150
tors. eta vs tors. theta energy: -51.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.451 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -548.746359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.746359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.746359 (E_RNA)
where:
Base-Base interactions energy: -380.548
where: short stacking energy: -147.281
Base-Backbone interact. energy: -0.311
local terms energy: -167.941793
where:
bonds (distance) C4'-P energy: -26.732
bonds (distance) P-C4' energy: -33.966
flat angles C4'-P-C4' energy: -38.086
flat angles P-C4'-P energy: -28.437
tors. eta vs tors. theta energy: -40.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.055 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -519.913467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.913467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.913467 (E_RNA)
where:
Base-Base interactions energy: -347.033
where: short stacking energy: -148.396
Base-Backbone interact. energy: -0.267
local terms energy: -172.614123
where:
bonds (distance) C4'-P energy: -38.375
bonds (distance) P-C4' energy: -34.279
flat angles C4'-P-C4' energy: -31.958
flat angles P-C4'-P energy: -22.247
tors. eta vs tors. theta energy: -45.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -478.201312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.201312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.201312 (E_RNA)
where:
Base-Base interactions energy: -322.457
where: short stacking energy: -128.147
Base-Backbone interact. energy: -0.434
local terms energy: -155.310280
where:
bonds (distance) C4'-P energy: -34.608
bonds (distance) P-C4' energy: -31.113
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: -34.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -497.297748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.297748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.297748 (E_RNA)
where:
Base-Base interactions energy: -346.726
where: short stacking energy: -143.484
Base-Backbone interact. energy: 0.159
local terms energy: -150.730481
where:
bonds (distance) C4'-P energy: -29.009
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -31.996
flat angles P-C4'-P energy: -20.916
tors. eta vs tors. theta energy: -38.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -447.690953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.690953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.690953 (E_RNA)
where:
Base-Base interactions energy: -300.959
where: short stacking energy: -126.988
Base-Backbone interact. energy: -0.217
local terms energy: -146.515168
where:
bonds (distance) C4'-P energy: -22.757
bonds (distance) P-C4' energy: -38.278
flat angles C4'-P-C4' energy: -28.685
flat angles P-C4'-P energy: -19.324
tors. eta vs tors. theta energy: -37.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -406.641148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.641148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.641148 (E_RNA)
where:
Base-Base interactions energy: -283.048
where: short stacking energy: -115.551
Base-Backbone interact. energy: 2.585
local terms energy: -126.177760
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -29.226
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -31.064
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: 8
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -299.287261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.287261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.287261 (E_RNA)
where:
Base-Base interactions energy: -179.003
where: short stacking energy: -91.271
Base-Backbone interact. energy: -0.202
local terms energy: -120.082491
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -33.023
flat angles P-C4'-P energy: -19.019
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -251.716355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.716355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.716355 (E_RNA)
where:
Base-Base interactions energy: -132.579
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.036
local terms energy: -120.818611
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -33.986
flat angles C4'-P-C4' energy: -35.827
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.718 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -145.370550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.370550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.370550 (E_RNA)
where:
Base-Base interactions energy: -47.193
where: short stacking energy: -38.922
Base-Backbone interact. energy: -1.180
local terms energy: -96.996963
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -30.228
flat angles C4'-P-C4' energy: -26.918
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -575.241889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.241889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.241889 (E_RNA)
where:
Base-Base interactions energy: -382.756
where: short stacking energy: -177.558
Base-Backbone interact. energy: -0.127
local terms energy: -192.525183
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -28.405
flat angles C4'-P-C4' energy: -38.422
flat angles P-C4'-P energy: -30.349
tors. eta vs tors. theta energy: -59.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.167 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -563.116311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.116311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.116311 (E_RNA)
where:
Base-Base interactions energy: -395.235
where: short stacking energy: -153.892
Base-Backbone interact. energy: -0.316
local terms energy: -167.565470
where:
bonds (distance) C4'-P energy: -33.377
bonds (distance) P-C4' energy: -37.994
flat angles C4'-P-C4' energy: -37.228
flat angles P-C4'-P energy: -16.016
tors. eta vs tors. theta energy: -42.951
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: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -545.494001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.494001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.494001 (E_RNA)
where:
Base-Base interactions energy: -367.403
where: short stacking energy: -156.977
Base-Backbone interact. energy: -0.592
local terms energy: -177.732853
where:
bonds (distance) C4'-P energy: -38.118
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -35.824
flat angles P-C4'-P energy: -22.575
tors. eta vs tors. theta energy: -52.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.234 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -512.529148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.529148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.529148 (E_RNA)
where:
Base-Base interactions energy: -341.597
where: short stacking energy: -141.616
Base-Backbone interact. energy: -0.632
local terms energy: -170.300237
where:
bonds (distance) C4'-P energy: -31.694
bonds (distance) P-C4' energy: -36.783
flat angles C4'-P-C4' energy: -32.787
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -46.762
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: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -452.463906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.463906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.463906 (E_RNA)
where:
Base-Base interactions energy: -292.903
where: short stacking energy: -128.998
Base-Backbone interact. energy: -0.667
local terms energy: -158.893293
where:
bonds (distance) C4'-P energy: -33.791
bonds (distance) P-C4' energy: -33.682
flat angles C4'-P-C4' energy: -32.599
flat angles P-C4'-P energy: -20.663
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: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -432.129726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.129726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.129726 (E_RNA)
where:
Base-Base interactions energy: -287.029
where: short stacking energy: -121.858
Base-Backbone interact. energy: -0.360
local terms energy: -144.740928
where:
bonds (distance) C4'-P energy: -29.911
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -25.555
tors. eta vs tors. theta energy: -26.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -427.627683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.627683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.627683 (E_RNA)
where:
Base-Base interactions energy: -282.982
where: short stacking energy: -128.373
Base-Backbone interact. energy: -0.202
local terms energy: -144.443987
where:
bonds (distance) C4'-P energy: -23.620
bonds (distance) P-C4' energy: -33.523
flat angles C4'-P-C4' energy: -32.804
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -30.889
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: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -231.254520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.254520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.254520 (E_RNA)
where:
Base-Base interactions energy: -115.908
where: short stacking energy: -70.852
Base-Backbone interact. energy: 0.250
local terms energy: -118.591492
where:
bonds (distance) C4'-P energy: -26.313
bonds (distance) P-C4' energy: -38.100
flat angles C4'-P-C4' energy: -29.920
flat angles P-C4'-P energy: -17.251
tors. eta vs tors. theta energy: -7.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.995 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -271.064782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.064782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.064782 (E_RNA)
where:
Base-Base interactions energy: -154.689
where: short stacking energy: -77.349
Base-Backbone interact. energy: 3.344
local terms energy: -119.719504
where:
bonds (distance) C4'-P energy: -26.861
bonds (distance) P-C4' energy: -37.599
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -8.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -162.122313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.122313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.122313 (E_RNA)
where:
Base-Base interactions energy: -41.554
where: short stacking energy: -40.381
Base-Backbone interact. energy: -1.221
local terms energy: -119.347274
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -29.190
flat angles C4'-P-C4' energy: -31.158
flat angles P-C4'-P energy: -25.859
tors. eta vs tors. theta energy: -5.260
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: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -553.543893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.543893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.543893 (E_RNA)
where:
Base-Base interactions energy: -375.472
where: short stacking energy: -161.313
Base-Backbone interact. energy: 1.098
local terms energy: -179.170432
where:
bonds (distance) C4'-P energy: -32.288
bonds (distance) P-C4' energy: -36.321
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -25.431
tors. eta vs tors. theta energy: -46.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -570.973725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.973725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.973725 (E_RNA)
where:
Base-Base interactions energy: -393.951
where: short stacking energy: -165.321
Base-Backbone interact. energy: -0.763
local terms energy: -179.569051
where:
bonds (distance) C4'-P energy: -33.572
bonds (distance) P-C4' energy: -33.994
flat angles C4'-P-C4' energy: -31.465
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -56.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.310 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -514.036065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.036065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.036065 (E_RNA)
where:
Base-Base interactions energy: -347.643
where: short stacking energy: -140.128
Base-Backbone interact. energy: -0.261
local terms energy: -166.131732
where:
bonds (distance) C4'-P energy: -32.220
bonds (distance) P-C4' energy: -32.447
flat angles C4'-P-C4' energy: -36.574
flat angles P-C4'-P energy: -21.784
tors. eta vs tors. theta energy: -43.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -526.553243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.553243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.553243 (E_RNA)
where:
Base-Base interactions energy: -349.469
where: short stacking energy: -151.890
Base-Backbone interact. energy: -1.247
local terms energy: -175.836931
where:
bonds (distance) C4'-P energy: -36.964
bonds (distance) P-C4' energy: -32.920
flat angles C4'-P-C4' energy: -33.787
flat angles P-C4'-P energy: -21.911
tors. eta vs tors. theta energy: -50.255
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: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -400.407388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.407388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.407388 (E_RNA)
where:
Base-Base interactions energy: -265.158
where: short stacking energy: -115.750
Base-Backbone interact. energy: -0.621
local terms energy: -134.628139
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -31.851
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -30.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -396.573381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.573381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.573381 (E_RNA)
where:
Base-Base interactions energy: -277.880
where: short stacking energy: -123.254
Base-Backbone interact. energy: -0.184
local terms energy: -121.150269
where:
bonds (distance) C4'-P energy: -33.185
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -29.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.641 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -402.869435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.869435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.869435 (E_RNA)
where:
Base-Base interactions energy: -261.533
where: short stacking energy: -117.533
Base-Backbone interact. energy: -0.241
local terms energy: -141.142030
where:
bonds (distance) C4'-P energy: -29.722
bonds (distance) P-C4' energy: -30.972
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -25.417
tors. eta vs tors. theta energy: -29.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.047 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -217.297249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.297249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.297249 (E_RNA)
where:
Base-Base interactions energy: -108.504
where: short stacking energy: -68.731
Base-Backbone interact. energy: 4.512
local terms energy: -113.305120
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -27.347
flat angles C4'-P-C4' energy: -31.556
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -249.362857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.362857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.362857 (E_RNA)
where:
Base-Base interactions energy: -131.429
where: short stacking energy: -63.667
Base-Backbone interact. energy: 0.345
local terms energy: -119.198675
where:
bonds (distance) C4'-P energy: -35.314
bonds (distance) P-C4' energy: -32.340
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.920 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -156.827856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.827856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.827856 (E_RNA)
where:
Base-Base interactions energy: -52.338
where: short stacking energy: -42.343
Base-Backbone interact. energy: 0.137
local terms energy: -104.626246
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -36.988
flat angles C4'-P-C4' energy: -28.617
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: 0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -564.592422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.592422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.592422 (E_RNA)
where:
Base-Base interactions energy: -376.245
where: short stacking energy: -164.263
Base-Backbone interact. energy: -0.732
local terms energy: -187.615352
where:
bonds (distance) C4'-P energy: -36.677
bonds (distance) P-C4' energy: -37.056
flat angles C4'-P-C4' energy: -35.248
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -48.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -554.923979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.923979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.923979 (E_RNA)
where:
Base-Base interactions energy: -368.816
where: short stacking energy: -158.766
Base-Backbone interact. energy: -0.404
local terms energy: -187.451018
where:
bonds (distance) C4'-P energy: -31.004
bonds (distance) P-C4' energy: -36.773
flat angles C4'-P-C4' energy: -36.841
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: -51.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.747 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -524.970193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.970193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.970193 (E_RNA)
where:
Base-Base interactions energy: -355.800
where: short stacking energy: -150.495
Base-Backbone interact. energy: -0.510
local terms energy: -168.660172
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -27.968
flat angles C4'-P-C4' energy: -37.770
flat angles P-C4'-P energy: -27.802
tors. eta vs tors. theta energy: -40.413
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: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -511.842490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.842490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.842490 (E_RNA)
where:
Base-Base interactions energy: -349.402
where: short stacking energy: -139.270
Base-Backbone interact. energy: 0.128
local terms energy: -162.568614
where:
bonds (distance) C4'-P energy: -31.294
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -36.171
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -42.319
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: 257
Temperature: 1.100000
Total energy: -422.473135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.473135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.473135 (E_RNA)
where:
Base-Base interactions energy: -272.011
where: short stacking energy: -125.762
Base-Backbone interact. energy: -0.259
local terms energy: -150.817769
where:
bonds (distance) C4'-P energy: -33.144
bonds (distance) P-C4' energy: -30.456
flat angles C4'-P-C4' energy: -37.833
flat angles P-C4'-P energy: -17.400
tors. eta vs tors. theta energy: -31.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.615 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -425.682395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.682395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.682395 (E_RNA)
where:
Base-Base interactions energy: -256.087
where: short stacking energy: -115.285
Base-Backbone interact. energy: -0.335
local terms energy: -169.445437
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -38.038
flat angles C4'-P-C4' energy: -38.135
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -29.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.185 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -376.336256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.336256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.336256 (E_RNA)
where:
Base-Base interactions energy: -248.303
where: short stacking energy: -117.671
Base-Backbone interact. energy: 1.458
local terms energy: -129.564222
where:
bonds (distance) C4'-P energy: -24.989
bonds (distance) P-C4' energy: -28.721
flat angles C4'-P-C4' energy: -34.637
flat angles P-C4'-P energy: -17.569
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.072 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -278.485822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.485822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.485822 (E_RNA)
where:
Base-Base interactions energy: -159.743
where: short stacking energy: -76.160
Base-Backbone interact. energy: 0.055
local terms energy: -118.797708
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -32.922
flat angles C4'-P-C4' energy: -25.070
flat angles P-C4'-P energy: -23.362
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -212.788611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.788611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.788611 (E_RNA)
where:
Base-Base interactions energy: -112.336
where: short stacking energy: -68.036
Base-Backbone interact. energy: -0.778
local terms energy: -99.674768
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -30.964
flat angles C4'-P-C4' energy: -27.752
flat angles P-C4'-P energy: -11.522
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -152.443702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.443702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.443702 (E_RNA)
where:
Base-Base interactions energy: -61.711
where: short stacking energy: -39.036
Base-Backbone interact. energy: -0.495
local terms energy: -90.238036
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -31.005
flat angles C4'-P-C4' energy: -24.582
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: 8.529
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: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -558.207296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.207296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.207296 (E_RNA)
where:
Base-Base interactions energy: -372.366
where: short stacking energy: -164.107
Base-Backbone interact. energy: -0.038
local terms energy: -185.888009
where:
bonds (distance) C4'-P energy: -34.942
bonds (distance) P-C4' energy: -34.268
flat angles C4'-P-C4' energy: -39.657
flat angles P-C4'-P energy: -24.907
tors. eta vs tors. theta energy: -52.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.085 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -556.184768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.184768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.184768 (E_RNA)
where:
Base-Base interactions energy: -382.047
where: short stacking energy: -155.257
Base-Backbone interact. energy: 0.595
local terms energy: -174.732320
where:
bonds (distance) C4'-P energy: -32.205
bonds (distance) P-C4' energy: -33.195
flat angles C4'-P-C4' energy: -33.716
flat angles P-C4'-P energy: -30.360
tors. eta vs tors. theta energy: -45.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -529.247387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.247387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.247387 (E_RNA)
where:
Base-Base interactions energy: -366.531
where: short stacking energy: -146.813
Base-Backbone interact. energy: -0.827
local terms energy: -161.889219
where:
bonds (distance) C4'-P energy: -32.229
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -38.591
flat angles P-C4'-P energy: -22.508
tors. eta vs tors. theta energy: -41.539
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: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -502.611441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.611441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.611441 (E_RNA)
where:
Base-Base interactions energy: -329.116
where: short stacking energy: -152.625
Base-Backbone interact. energy: 0.469
local terms energy: -173.964518
where:
bonds (distance) C4'-P energy: -31.803
bonds (distance) P-C4' energy: -31.229
flat angles C4'-P-C4' energy: -37.892
flat angles P-C4'-P energy: -23.783
tors. eta vs tors. theta energy: -49.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -439.930352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.930352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.930352 (E_RNA)
where:
Base-Base interactions energy: -285.947
where: short stacking energy: -122.862
Base-Backbone interact. energy: -0.192
local terms energy: -154.110629
where:
bonds (distance) C4'-P energy: -34.200
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -38.007
flat angles P-C4'-P energy: -24.024
tors. eta vs tors. theta energy: -29.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.320 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -412.728079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.728079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.728079 (E_RNA)
where:
Base-Base interactions energy: -262.975
where: short stacking energy: -116.550
Base-Backbone interact. energy: -1.307
local terms energy: -148.446808
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -34.947
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -30.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -370.305937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.305937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.305937 (E_RNA)
where:
Base-Base interactions energy: -229.003
where: short stacking energy: -114.342
Base-Backbone interact. energy: -0.577
local terms energy: -140.725827
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -27.337
flat angles C4'-P-C4' energy: -32.272
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -30.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -283.719001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.719001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.719001 (E_RNA)
where:
Base-Base interactions energy: -167.679
where: short stacking energy: -93.285
Base-Backbone interact. energy: -0.861
local terms energy: -115.178960
where:
bonds (distance) C4'-P energy: -29.601
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -20.603
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: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -213.218057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.218057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.218057 (E_RNA)
where:
Base-Base interactions energy: -112.537
where: short stacking energy: -47.815
Base-Backbone interact. energy: -0.528
local terms energy: -100.153269
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -29.748
flat angles C4'-P-C4' energy: -24.678
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -165.318759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.318759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.318759 (E_RNA)
where:
Base-Base interactions energy: -61.722
where: short stacking energy: -40.685
Base-Backbone interact. energy: -0.339
local terms energy: -103.257948
where:
bonds (distance) C4'-P energy: -24.899
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -29.689
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: 2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -564.798493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.798493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.798493 (E_RNA)
where:
Base-Base interactions energy: -379.890
where: short stacking energy: -165.909
Base-Backbone interact. energy: -0.691
local terms energy: -184.217491
where:
bonds (distance) C4'-P energy: -34.016
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -40.650
flat angles P-C4'-P energy: -24.162
tors. eta vs tors. theta energy: -57.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -560.149776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.149776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.149776 (E_RNA)
where:
Base-Base interactions energy: -398.522
where: short stacking energy: -160.638
Base-Backbone interact. energy: 0.111
local terms energy: -161.738908
where:
bonds (distance) C4'-P energy: -30.597
bonds (distance) P-C4' energy: -32.870
flat angles C4'-P-C4' energy: -34.687
flat angles P-C4'-P energy: -22.911
tors. eta vs tors. theta energy: -40.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -519.134236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.134236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.134236 (E_RNA)
where:
Base-Base interactions energy: -356.465
where: short stacking energy: -141.240
Base-Backbone interact. energy: -1.667
local terms energy: -161.002056
where:
bonds (distance) C4'-P energy: -28.808
bonds (distance) P-C4' energy: -34.966
flat angles C4'-P-C4' energy: -37.817
flat angles P-C4'-P energy: -21.018
tors. eta vs tors. theta energy: -38.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -499.948100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.948100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.948100 (E_RNA)
where:
Base-Base interactions energy: -344.160
where: short stacking energy: -144.715
Base-Backbone interact. energy: -0.353
local terms energy: -155.698749
where:
bonds (distance) C4'-P energy: -32.999
bonds (distance) P-C4' energy: -30.334
flat angles C4'-P-C4' energy: -30.587
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -41.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.264 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -457.725338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.725338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.725338 (E_RNA)
where:
Base-Base interactions energy: -291.392
where: short stacking energy: -126.953
Base-Backbone interact. energy: -0.903
local terms energy: -165.430270
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -32.148
flat angles C4'-P-C4' energy: -39.449
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: -34.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -388.539337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.539337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.539337 (E_RNA)
where:
Base-Base interactions energy: -248.563
where: short stacking energy: -113.579
Base-Backbone interact. energy: 2.877
local terms energy: -142.853306
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -29.998
flat angles C4'-P-C4' energy: -34.160
flat angles P-C4'-P energy: -23.365
tors. eta vs tors. theta energy: -25.716
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: 259
Temperature: 1.200000
Total energy: -395.577393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.577393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.577393 (E_RNA)
where:
Base-Base interactions energy: -259.370
where: short stacking energy: -129.425
Base-Backbone interact. energy: -0.229
local terms energy: -135.977984
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -27.972
flat angles C4'-P-C4' energy: -29.706
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -32.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -290.525184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.525184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.525184 (E_RNA)
where:
Base-Base interactions energy: -170.953
where: short stacking energy: -70.717
Base-Backbone interact. energy: -0.033
local terms energy: -119.539255
where:
bonds (distance) C4'-P energy: -23.792
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -23.280
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -241.697840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.697840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.697840 (E_RNA)
where:
Base-Base interactions energy: -127.670
where: short stacking energy: -69.622
Base-Backbone interact. energy: 0.303
local terms energy: -114.330795
where:
bonds (distance) C4'-P energy: -31.299
bonds (distance) P-C4' energy: -29.059
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -147.355849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.355849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.355849 (E_RNA)
where:
Base-Base interactions energy: -50.016
where: short stacking energy: -25.593
Base-Backbone interact. energy: -0.115
local terms energy: -97.223996
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: 6.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -570.771835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.771835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.771835 (E_RNA)
where:
Base-Base interactions energy: -389.481
where: short stacking energy: -159.852
Base-Backbone interact. energy: -0.020
local terms energy: -181.271184
where:
bonds (distance) C4'-P energy: -29.540
bonds (distance) P-C4' energy: -38.728
flat angles C4'-P-C4' energy: -33.362
flat angles P-C4'-P energy: -30.236
tors. eta vs tors. theta energy: -49.406
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: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -555.679085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.679085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.679085 (E_RNA)
where:
Base-Base interactions energy: -388.639
where: short stacking energy: -162.712
Base-Backbone interact. energy: -0.680
local terms energy: -166.360397
where:
bonds (distance) C4'-P energy: -32.436
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -37.812
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -46.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -523.831378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.831378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.831378 (E_RNA)
where:
Base-Base interactions energy: -366.204
where: short stacking energy: -143.442
Base-Backbone interact. energy: -1.356
local terms energy: -156.271407
where:
bonds (distance) C4'-P energy: -29.003
bonds (distance) P-C4' energy: -35.609
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -24.353
tors. eta vs tors. theta energy: -38.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -503.180363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.180363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.180363 (E_RNA)
where:
Base-Base interactions energy: -350.071
where: short stacking energy: -145.794
Base-Backbone interact. energy: -0.840
local terms energy: -152.269860
where:
bonds (distance) C4'-P energy: -29.429
bonds (distance) P-C4' energy: -28.780
flat angles C4'-P-C4' energy: -37.801
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -39.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -447.019992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.019992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.019992 (E_RNA)
where:
Base-Base interactions energy: -291.734
where: short stacking energy: -131.625
Base-Backbone interact. energy: -0.065
local terms energy: -155.220544
where:
bonds (distance) C4'-P energy: -29.691
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -36.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -360.368887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.368887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.368887 (E_RNA)
where:
Base-Base interactions energy: -223.353
where: short stacking energy: -104.030
Base-Backbone interact. energy: -0.490
local terms energy: -136.525440
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -33.929
flat angles C4'-P-C4' energy: -30.431
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -25.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -381.032754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.032754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.032754 (E_RNA)
where:
Base-Base interactions energy: -253.836
where: short stacking energy: -110.373
Base-Backbone interact. energy: -0.540
local terms energy: -126.657112
where:
bonds (distance) C4'-P energy: -25.768
bonds (distance) P-C4' energy: -25.464
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -20.527
tors. eta vs tors. theta energy: -26.285
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: 260
Temperature: 1.250000
Total energy: -307.413054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.413054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.413054 (E_RNA)
where:
Base-Base interactions energy: -196.148
where: short stacking energy: -103.120
Base-Backbone interact. energy: -0.216
local terms energy: -111.048343
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -27.010
flat angles P-C4'-P energy: -21.609
tors. eta vs tors. theta energy: -16.355
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: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -156.592038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.592038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.592038 (E_RNA)
where:
Base-Base interactions energy: -71.666
where: short stacking energy: -38.745
Base-Backbone interact. energy: -0.928
local terms energy: -84.525124
where:
bonds (distance) C4'-P energy: -33.455
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: 5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.527 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -162.304970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.304970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.304970 (E_RNA)
where:
Base-Base interactions energy: -90.408
where: short stacking energy: -38.309
Base-Backbone interact. energy: 3.828
local terms energy: -75.725354
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -31.829
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: 9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -568.000124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.000124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.000124 (E_RNA)
where:
Base-Base interactions energy: -398.248
where: short stacking energy: -165.800
Base-Backbone interact. energy: -0.018
local terms energy: -169.734244
where:
bonds (distance) C4'-P energy: -31.940
bonds (distance) P-C4' energy: -30.908
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -25.285
tors. eta vs tors. theta energy: -48.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -565.982232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.982232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.982232 (E_RNA)
where:
Base-Base interactions energy: -391.796
where: short stacking energy: -162.244
Base-Backbone interact. energy: 1.163
local terms energy: -175.349283
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -32.787
flat angles C4'-P-C4' energy: -33.184
flat angles P-C4'-P energy: -25.456
tors. eta vs tors. theta energy: -51.535
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: 3, replica: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -524.409895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.409895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.409895 (E_RNA)
where:
Base-Base interactions energy: -359.797
where: short stacking energy: -145.852
Base-Backbone interact. energy: -1.512
local terms energy: -163.100638
where:
bonds (distance) C4'-P energy: -35.112
bonds (distance) P-C4' energy: -33.478
flat angles C4'-P-C4' energy: -33.708
flat angles P-C4'-P energy: -19.079
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: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -507.246649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.246649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.246649 (E_RNA)
where:
Base-Base interactions energy: -354.072
where: short stacking energy: -139.765
Base-Backbone interact. energy: -1.397
local terms energy: -152.294967
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -31.242
flat angles C4'-P-C4' energy: -29.501
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -44.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.518 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -451.295436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.295436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.295436 (E_RNA)
where:
Base-Base interactions energy: -293.967
where: short stacking energy: -114.778
Base-Backbone interact. energy: 0.532
local terms energy: -157.860111
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -35.682
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -36.297
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: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -429.705118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.705118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.705118 (E_RNA)
where:
Base-Base interactions energy: -280.020
where: short stacking energy: -120.212
Base-Backbone interact. energy: 0.787
local terms energy: -150.472847
where:
bonds (distance) C4'-P energy: -33.828
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -36.325
flat angles P-C4'-P energy: -23.895
tors. eta vs tors. theta energy: -29.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -357.411358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.411358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.411358 (E_RNA)
where:
Base-Base interactions energy: -217.105
where: short stacking energy: -104.493
Base-Backbone interact. energy: -0.570
local terms energy: -139.735596
where:
bonds (distance) C4'-P energy: -34.109
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -33.147
flat angles P-C4'-P energy: -13.247
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: 261
Temperature: 1.250000
Total energy: -310.564528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.564528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.564528 (E_RNA)
where:
Base-Base interactions energy: -185.722
where: short stacking energy: -85.762
Base-Backbone interact. energy: -0.833
local terms energy: -124.009807
where:
bonds (distance) C4'-P energy: -31.327
bonds (distance) P-C4' energy: -37.734
flat angles C4'-P-C4' energy: -25.579
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -154.079809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.079809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.079809 (E_RNA)
where:
Base-Base interactions energy: -43.271
where: short stacking energy: -38.669
Base-Backbone interact. energy: -1.359
local terms energy: -109.449331
where:
bonds (distance) C4'-P energy: -27.017
bonds (distance) P-C4' energy: -37.338
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -17.284
tors. eta vs tors. theta energy: 0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -148.424905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.424905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.424905 (E_RNA)
where:
Base-Base interactions energy: -56.109
where: short stacking energy: -33.625
Base-Backbone interact. energy: 2.240
local terms energy: -95.311939
where:
bonds (distance) C4'-P energy: -27.222
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -26.071
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: 3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.756 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -576.313183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.313183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.313183 (E_RNA)
where:
Base-Base interactions energy: -395.609
where: short stacking energy: -180.915
Base-Backbone interact. energy: -0.084
local terms energy: -180.620945
where:
bonds (distance) C4'-P energy: -28.620
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -38.117
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -55.769
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: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -569.732523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.732523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.732523 (E_RNA)
where:
Base-Base interactions energy: -401.390
where: short stacking energy: -162.530
Base-Backbone interact. energy: -0.101
local terms energy: -168.242281
where:
bonds (distance) C4'-P energy: -34.983
bonds (distance) P-C4' energy: -31.043
flat angles C4'-P-C4' energy: -32.849
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -44.845
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: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -517.070509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.070509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.070509 (E_RNA)
where:
Base-Base interactions energy: -363.731
where: short stacking energy: -153.424
Base-Backbone interact. energy: 1.502
local terms energy: -154.842290
where:
bonds (distance) C4'-P energy: -21.288
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -36.505
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -45.421
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: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -468.639124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.639124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.639124 (E_RNA)
where:
Base-Base interactions energy: -321.120
where: short stacking energy: -139.094
Base-Backbone interact. energy: -0.547
local terms energy: -147.889244
where:
bonds (distance) C4'-P energy: -28.698
bonds (distance) P-C4' energy: -32.520
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -40.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.917 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -435.132368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.132368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.132368 (E_RNA)
where:
Base-Base interactions energy: -298.690
where: short stacking energy: -115.138
Base-Backbone interact. energy: -0.809
local terms energy: -135.633091
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -37.912
flat angles C4'-P-C4' energy: -29.787
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -24.507
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: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -452.016044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.016044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.016044 (E_RNA)
where:
Base-Base interactions energy: -296.881
where: short stacking energy: -129.813
Base-Backbone interact. energy: -0.720
local terms energy: -154.414625
where:
bonds (distance) C4'-P energy: -24.690
bonds (distance) P-C4' energy: -33.080
flat angles C4'-P-C4' energy: -35.823
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -34.146
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: 7, replica: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -332.516767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.516767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.516767 (E_RNA)
where:
Base-Base interactions energy: -197.185
where: short stacking energy: -101.133
Base-Backbone interact. energy: -0.969
local terms energy: -135.048585
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -28.066
flat angles C4'-P-C4' energy: -26.147
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: -26.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.686 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -345.100959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.100959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.100959 (E_RNA)
where:
Base-Base interactions energy: -214.941
where: short stacking energy: -102.492
Base-Backbone interact. energy: -1.317
local terms energy: -128.843757
where:
bonds (distance) C4'-P energy: -29.582
bonds (distance) P-C4' energy: -35.974
flat angles C4'-P-C4' energy: -29.466
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -169.317376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.317376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.317376 (E_RNA)
where:
Base-Base interactions energy: -72.684
where: short stacking energy: -36.828
Base-Backbone interact. energy: 2.978
local terms energy: -99.611838
where:
bonds (distance) C4'-P energy: -25.312
bonds (distance) P-C4' energy: -32.753
flat angles C4'-P-C4' energy: -30.887
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: 5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -142.507280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.507280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.507280 (E_RNA)
where:
Base-Base interactions energy: -46.824
where: short stacking energy: -34.649
Base-Backbone interact. energy: -0.851
local terms energy: -94.832699
where:
bonds (distance) C4'-P energy: -25.643
bonds (distance) P-C4' energy: -29.666
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: 6.931
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: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -578.139864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.139864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.139864 (E_RNA)
where:
Base-Base interactions energy: -395.031
where: short stacking energy: -172.656
Base-Backbone interact. energy: -0.218
local terms energy: -182.891477
where:
bonds (distance) C4'-P energy: -31.681
bonds (distance) P-C4' energy: -33.892
flat angles C4'-P-C4' energy: -36.427
flat angles P-C4'-P energy: -25.459
tors. eta vs tors. theta energy: -55.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -561.622531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.622531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.622531 (E_RNA)
where:
Base-Base interactions energy: -378.517
where: short stacking energy: -165.750
Base-Backbone interact. energy: -0.683
local terms energy: -182.422774
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -37.911
flat angles C4'-P-C4' energy: -39.908
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -49.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -540.980427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.980427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.980427 (E_RNA)
where:
Base-Base interactions energy: -370.810
where: short stacking energy: -153.586
Base-Backbone interact. energy: -0.471
local terms energy: -169.698847
where:
bonds (distance) C4'-P energy: -27.723
bonds (distance) P-C4' energy: -38.599
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -47.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -506.764657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.764657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.764657 (E_RNA)
where:
Base-Base interactions energy: -341.970
where: short stacking energy: -146.305
Base-Backbone interact. energy: -0.978
local terms energy: -163.816420
where:
bonds (distance) C4'-P energy: -30.585
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -34.864
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -46.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -461.703359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.703359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.703359 (E_RNA)
where:
Base-Base interactions energy: -316.644
where: short stacking energy: -134.455
Base-Backbone interact. energy: 1.378
local terms energy: -146.911207
where:
bonds (distance) C4'-P energy: -29.664
bonds (distance) P-C4' energy: -32.105
flat angles C4'-P-C4' energy: -34.396
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -26.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.474 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -442.256811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.256811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.256811 (E_RNA)
where:
Base-Base interactions energy: -309.261
where: short stacking energy: -120.481
Base-Backbone interact. energy: -1.095
local terms energy: -131.900356
where:
bonds (distance) C4'-P energy: -31.692
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -29.839
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: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -318.485224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.485224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.485224 (E_RNA)
where:
Base-Base interactions energy: -189.568
where: short stacking energy: -110.255
Base-Backbone interact. energy: -1.551
local terms energy: -127.366715
where:
bonds (distance) C4'-P energy: -25.871
bonds (distance) P-C4' energy: -26.953
flat angles C4'-P-C4' energy: -30.459
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -312.499212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.499212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.499212 (E_RNA)
where:
Base-Base interactions energy: -191.051
where: short stacking energy: -85.787
Base-Backbone interact. energy: -1.430
local terms energy: -120.017480
where:
bonds (distance) C4'-P energy: -26.326
bonds (distance) P-C4' energy: -27.407
flat angles C4'-P-C4' energy: -30.604
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -18.294
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: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -170.964587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.964587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.964587 (E_RNA)
where:
Base-Base interactions energy: -81.956
where: short stacking energy: -45.286
Base-Backbone interact. energy: 1.898
local terms energy: -90.906178
where:
bonds (distance) C4'-P energy: -28.469
bonds (distance) P-C4' energy: -31.349
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: 2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -142.653783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.653783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.653783 (E_RNA)
where:
Base-Base interactions energy: -60.317
where: short stacking energy: -40.068
Base-Backbone interact. energy: -0.504
local terms energy: -82.345633
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -25.234
flat angles C4'-P-C4' energy: -23.076
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: 0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.513 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -582.080690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.080690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.080690 (E_RNA)
where:
Base-Base interactions energy: -397.355
where: short stacking energy: -161.856
Base-Backbone interact. energy: -0.958
local terms energy: -183.768004
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -35.329
flat angles C4'-P-C4' energy: -37.329
flat angles P-C4'-P energy: -29.448
tors. eta vs tors. theta energy: -46.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -562.098015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.098015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.098015 (E_RNA)
where:
Base-Base interactions energy: -373.167
where: short stacking energy: -170.710
Base-Backbone interact. energy: -0.080
local terms energy: -188.851347
where:
bonds (distance) C4'-P energy: -33.672
bonds (distance) P-C4' energy: -33.085
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: -56.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -542.355115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.355115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.355115 (E_RNA)
where:
Base-Base interactions energy: -369.595
where: short stacking energy: -159.672
Base-Backbone interact. energy: 0.175
local terms energy: -172.934718
where:
bonds (distance) C4'-P energy: -32.879
bonds (distance) P-C4' energy: -37.822
flat angles C4'-P-C4' energy: -33.103
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -45.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -481.622854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.622854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.622854 (E_RNA)
where:
Base-Base interactions energy: -309.335
where: short stacking energy: -148.746
Base-Backbone interact. energy: -0.160
local terms energy: -172.188128
where:
bonds (distance) C4'-P energy: -30.209
bonds (distance) P-C4' energy: -29.498
flat angles C4'-P-C4' energy: -38.346
flat angles P-C4'-P energy: -27.087
tors. eta vs tors. theta energy: -47.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.061 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -476.506489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.506489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.506489 (E_RNA)
where:
Base-Base interactions energy: -321.733
where: short stacking energy: -144.908
Base-Backbone interact. energy: -0.264
local terms energy: -155.089353
where:
bonds (distance) C4'-P energy: -30.417
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -32.352
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -41.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.580 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -413.814645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.814645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.814645 (E_RNA)
where:
Base-Base interactions energy: -270.102
where: short stacking energy: -118.939
Base-Backbone interact. energy: -0.797
local terms energy: -142.915272
where:
bonds (distance) C4'-P energy: -31.005
bonds (distance) P-C4' energy: -35.312
flat angles C4'-P-C4' energy: -29.451
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -30.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -295.910710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.910710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.910710 (E_RNA)
where:
Base-Base interactions energy: -167.732
where: short stacking energy: -80.874
Base-Backbone interact. energy: -0.082
local terms energy: -128.522947
where:
bonds (distance) C4'-P energy: -28.294
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.426 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -294.016637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.016637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.016637 (E_RNA)
where:
Base-Base interactions energy: -170.100
where: short stacking energy: -78.808
Base-Backbone interact. energy: 0.478
local terms energy: -124.394938
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -29.785
flat angles C4'-P-C4' energy: -30.266
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -19.151
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: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -163.037576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.037576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.037576 (E_RNA)
where:
Base-Base interactions energy: -63.110
where: short stacking energy: -35.255
Base-Backbone interact. energy: -1.505
local terms energy: -98.423013
where:
bonds (distance) C4'-P energy: -25.612
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -30.187
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: 3.180
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: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -150.079708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.079708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.079708 (E_RNA)
where:
Base-Base interactions energy: -49.426
where: short stacking energy: -37.592
Base-Backbone interact. energy: -1.037
local terms energy: -100.994401
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: 6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.377 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -574.329372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.329372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.329372 (E_RNA)
where:
Base-Base interactions energy: -395.630
where: short stacking energy: -161.026
Base-Backbone interact. energy: -0.488
local terms energy: -178.212127
where:
bonds (distance) C4'-P energy: -33.722
bonds (distance) P-C4' energy: -38.294
flat angles C4'-P-C4' energy: -35.815
flat angles P-C4'-P energy: -21.815
tors. eta vs tors. theta energy: -48.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -562.433414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.433414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.433414 (E_RNA)
where:
Base-Base interactions energy: -387.092
where: short stacking energy: -172.178
Base-Backbone interact. energy: -0.532
local terms energy: -174.809257
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -38.195
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -53.586
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: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -528.201059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.201059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.201059 (E_RNA)
where:
Base-Base interactions energy: -351.997
where: short stacking energy: -140.046
Base-Backbone interact. energy: -0.251
local terms energy: -175.952639
where:
bonds (distance) C4'-P energy: -34.904
bonds (distance) P-C4' energy: -36.582
flat angles C4'-P-C4' energy: -36.670
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -42.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -507.373841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.373841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.373841 (E_RNA)
where:
Base-Base interactions energy: -344.830
where: short stacking energy: -153.792
Base-Backbone interact. energy: -1.359
local terms energy: -162.814998
where:
bonds (distance) C4'-P energy: -30.868
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -24.938
tors. eta vs tors. theta energy: -43.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.630 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -457.842398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.842398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.842398 (E_RNA)
where:
Base-Base interactions energy: -311.130
where: short stacking energy: -134.249
Base-Backbone interact. energy: -0.258
local terms energy: -146.745006
where:
bonds (distance) C4'-P energy: -28.063
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -26.103
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -38.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.291 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -393.532637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.532637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.532637 (E_RNA)
where:
Base-Base interactions energy: -258.831
where: short stacking energy: -107.097
Base-Backbone interact. energy: 0.587
local terms energy: -135.288657
where:
bonds (distance) C4'-P energy: -24.947
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -24.049
flat angles P-C4'-P energy: -25.894
tors. eta vs tors. theta energy: -30.048
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: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -355.232733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.232733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.232733 (E_RNA)
where:
Base-Base interactions energy: -225.805
where: short stacking energy: -115.040
Base-Backbone interact. energy: 0.332
local terms energy: -129.759045
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -29.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -315.095712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.095712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.095712 (E_RNA)
where:
Base-Base interactions energy: -188.349
where: short stacking energy: -90.409
Base-Backbone interact. energy: -0.281
local terms energy: -126.465457
where:
bonds (distance) C4'-P energy: -29.838
bonds (distance) P-C4' energy: -36.680
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -159.711238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.711238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.711238 (E_RNA)
where:
Base-Base interactions energy: -62.184
where: short stacking energy: -43.739
Base-Backbone interact. energy: 2.283
local terms energy: -99.809316
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -180.393088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.393088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.393088 (E_RNA)
where:
Base-Base interactions energy: -81.388
where: short stacking energy: -51.431
Base-Backbone interact. energy: 2.661
local terms energy: -101.666162
where:
bonds (distance) C4'-P energy: -24.019
bonds (distance) P-C4' energy: -29.295
flat angles C4'-P-C4' energy: -31.995
flat angles P-C4'-P energy: -13.974
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: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -569.854168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.854168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.854168 (E_RNA)
where:
Base-Base interactions energy: -392.430
where: short stacking energy: -166.658
Base-Backbone interact. energy: -0.908
local terms energy: -176.516591
where:
bonds (distance) C4'-P energy: -34.991
bonds (distance) P-C4' energy: -33.116
flat angles C4'-P-C4' energy: -38.831
flat angles P-C4'-P energy: -25.771
tors. eta vs tors. theta energy: -43.807
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: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -562.682414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.682414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.682414 (E_RNA)
where:
Base-Base interactions energy: -382.446
where: short stacking energy: -166.664
Base-Backbone interact. energy: -0.170
local terms energy: -180.065829
where:
bonds (distance) C4'-P energy: -28.289
bonds (distance) P-C4' energy: -38.202
flat angles C4'-P-C4' energy: -38.990
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -51.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -501.489999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.489999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.489999 (E_RNA)
where:
Base-Base interactions energy: -345.791
where: short stacking energy: -127.763
Base-Backbone interact. energy: -0.503
local terms energy: -155.196180
where:
bonds (distance) C4'-P energy: -32.980
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -35.013
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -29.876
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: 266
Temperature: 1.050000
Total energy: -524.677548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.677548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.677548 (E_RNA)
where:
Base-Base interactions energy: -357.013
where: short stacking energy: -151.864
Base-Backbone interact. energy: 0.170
local terms energy: -167.833874
where:
bonds (distance) C4'-P energy: -25.534
bonds (distance) P-C4' energy: -33.890
flat angles C4'-P-C4' energy: -36.363
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -48.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -485.155379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.155379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.155379 (E_RNA)
where:
Base-Base interactions energy: -323.948
where: short stacking energy: -153.120
Base-Backbone interact. energy: -0.008
local terms energy: -162.621909
where:
bonds (distance) C4'-P energy: -29.794
bonds (distance) P-C4' energy: -28.250
flat angles C4'-P-C4' energy: -37.546
flat angles P-C4'-P energy: -20.748
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: 1.423 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -363.666325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.666325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.666325 (E_RNA)
where:
Base-Base interactions energy: -225.037
where: short stacking energy: -97.317
Base-Backbone interact. energy: -0.470
local terms energy: -138.159222
where:
bonds (distance) C4'-P energy: -26.724
bonds (distance) P-C4' energy: -30.958
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -20.546
tors. eta vs tors. theta energy: -31.077
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: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -329.302579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.302579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.302579 (E_RNA)
where:
Base-Base interactions energy: -183.895
where: short stacking energy: -99.586
Base-Backbone interact. energy: -0.316
local terms energy: -145.091772
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -36.476
flat angles C4'-P-C4' energy: -33.397
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -34.076
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: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -343.820780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.820780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.820780 (E_RNA)
where:
Base-Base interactions energy: -215.092
where: short stacking energy: -96.388
Base-Backbone interact. energy: -0.642
local terms energy: -128.724371
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -35.493
flat angles C4'-P-C4' energy: -32.071
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.638 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -157.867732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.867732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.867732 (E_RNA)
where:
Base-Base interactions energy: -65.533
where: short stacking energy: -50.775
Base-Backbone interact. energy: -0.238
local terms energy: -92.359796
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -26.770
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -2.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.264 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -148.935630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.935630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.935630 (E_RNA)
where:
Base-Base interactions energy: -58.672
where: short stacking energy: -44.115
Base-Backbone interact. energy: 1.003
local terms energy: -91.266758
where:
bonds (distance) C4'-P energy: -26.898
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -29.596
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: 4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -587.355189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.355189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.355189 (E_RNA)
where:
Base-Base interactions energy: -402.270
where: short stacking energy: -168.680
Base-Backbone interact. energy: -0.864
local terms energy: -184.221460
where:
bonds (distance) C4'-P energy: -32.469
bonds (distance) P-C4' energy: -41.118
flat angles C4'-P-C4' energy: -36.883
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -50.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -567.276767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.276767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.276767 (E_RNA)
where:
Base-Base interactions energy: -386.474
where: short stacking energy: -168.875
Base-Backbone interact. energy: -0.832
local terms energy: -179.970472
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -29.969
flat angles C4'-P-C4' energy: -36.861
flat angles P-C4'-P energy: -25.843
tors. eta vs tors. theta energy: -53.491
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: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -519.424189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.424189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.424189 (E_RNA)
where:
Base-Base interactions energy: -354.263
where: short stacking energy: -144.858
Base-Backbone interact. energy: -0.825
local terms energy: -165.499411
where:
bonds (distance) C4'-P energy: -38.110
bonds (distance) P-C4' energy: -30.009
flat angles C4'-P-C4' energy: -36.823
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: -39.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.163 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -508.095677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.095677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.095677 (E_RNA)
where:
Base-Base interactions energy: -354.806
where: short stacking energy: -138.876
Base-Backbone interact. energy: -0.495
local terms energy: -153.096733
where:
bonds (distance) C4'-P energy: -24.899
bonds (distance) P-C4' energy: -29.486
flat angles C4'-P-C4' energy: -37.755
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -40.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.302 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -480.803681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.803681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.803681 (E_RNA)
where:
Base-Base interactions energy: -326.979
where: short stacking energy: -136.049
Base-Backbone interact. energy: -0.154
local terms energy: -153.670652
where:
bonds (distance) C4'-P energy: -32.482
bonds (distance) P-C4' energy: -25.638
flat angles C4'-P-C4' energy: -37.215
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -39.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -380.210009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.210009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.210009 (E_RNA)
where:
Base-Base interactions energy: -250.298
where: short stacking energy: -104.401
Base-Backbone interact. energy: 0.158
local terms energy: -130.069295
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -29.051
flat angles C4'-P-C4' energy: -34.804
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: -24.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -309.057007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.057007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.057007 (E_RNA)
where:
Base-Base interactions energy: -181.094
where: short stacking energy: -94.734
Base-Backbone interact. energy: -0.027
local terms energy: -127.936228
where:
bonds (distance) C4'-P energy: -30.271
bonds (distance) P-C4' energy: -28.246
flat angles C4'-P-C4' energy: -25.365
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -337.129113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.129113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.129113 (E_RNA)
where:
Base-Base interactions energy: -206.629
where: short stacking energy: -96.189
Base-Backbone interact. energy: -0.561
local terms energy: -129.938746
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -171.172486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.172486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.172486 (E_RNA)
where:
Base-Base interactions energy: -78.399
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.986
local terms energy: -91.786778
where:
bonds (distance) C4'-P energy: -27.447
bonds (distance) P-C4' energy: -31.427
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: 5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -155.950281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.950281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.950281 (E_RNA)
where:
Base-Base interactions energy: -55.856
where: short stacking energy: -43.168
Base-Backbone interact. energy: -0.397
local terms energy: -99.696449
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -31.088
flat angles C4'-P-C4' energy: -28.434
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: 5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -567.349131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.349131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.349131 (E_RNA)
where:
Base-Base interactions energy: -396.199
where: short stacking energy: -170.531
Base-Backbone interact. energy: -0.630
local terms energy: -170.520533
where:
bonds (distance) C4'-P energy: -31.412
bonds (distance) P-C4' energy: -28.983
flat angles C4'-P-C4' energy: -32.979
flat angles P-C4'-P energy: -22.468
tors. eta vs tors. theta energy: -54.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -574.439845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.439845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.439845 (E_RNA)
where:
Base-Base interactions energy: -394.275
where: short stacking energy: -162.572
Base-Backbone interact. energy: -1.062
local terms energy: -181.760238
where:
bonds (distance) C4'-P energy: -30.513
bonds (distance) P-C4' energy: -30.703
flat angles C4'-P-C4' energy: -43.682
flat angles P-C4'-P energy: -22.892
tors. eta vs tors. theta energy: -53.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.658 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -532.343850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.343850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.343850 (E_RNA)
where:
Base-Base interactions energy: -370.594
where: short stacking energy: -153.461
Base-Backbone interact. energy: -1.160
local terms energy: -161.457716
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -32.694
flat angles C4'-P-C4' energy: -33.521
flat angles P-C4'-P energy: -21.996
tors. eta vs tors. theta energy: -45.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.868 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -498.833633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.833633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.833633 (E_RNA)
where:
Base-Base interactions energy: -342.778
where: short stacking energy: -141.346
Base-Backbone interact. energy: -0.245
local terms energy: -159.868740
where:
bonds (distance) C4'-P energy: -30.913
bonds (distance) P-C4' energy: -37.651
flat angles C4'-P-C4' energy: -34.559
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -38.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.059 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -482.206622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.206622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.206622 (E_RNA)
where:
Base-Base interactions energy: -333.877
where: short stacking energy: -136.889
Base-Backbone interact. energy: -0.154
local terms energy: -148.990294
where:
bonds (distance) C4'-P energy: -30.214
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -33.379
flat angles P-C4'-P energy: -24.316
tors. eta vs tors. theta energy: -38.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.814 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -390.806615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.806615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.806615 (E_RNA)
where:
Base-Base interactions energy: -244.591
where: short stacking energy: -119.044
Base-Backbone interact. energy: -0.806
local terms energy: -146.528433
where:
bonds (distance) C4'-P energy: -31.894
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -31.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.118 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -320.154699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.154699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.154699 (E_RNA)
where:
Base-Base interactions energy: -205.529
where: short stacking energy: -81.384
Base-Backbone interact. energy: -0.632
local terms energy: -115.305862
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -22.167
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.312 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -291.127315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.127315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.127315 (E_RNA)
where:
Base-Base interactions energy: -174.401
where: short stacking energy: -78.424
Base-Backbone interact. energy: -0.581
local terms energy: -116.144984
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -39.307
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -11.388
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: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -191.276970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.276970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.276970 (E_RNA)
where:
Base-Base interactions energy: -89.133
where: short stacking energy: -32.479
Base-Backbone interact. energy: -2.941
local terms energy: -99.404327
where:
bonds (distance) C4'-P energy: -27.671
bonds (distance) P-C4' energy: -36.740
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: 9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.202 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -152.789554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.789554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.789554 (E_RNA)
where:
Base-Base interactions energy: -57.269
where: short stacking energy: -31.316
Base-Backbone interact. energy: -1.127
local terms energy: -94.901348
where:
bonds (distance) C4'-P energy: -31.421
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -18.416
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: 0.508 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -560.565769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.565769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.565769 (E_RNA)
where:
Base-Base interactions energy: -377.020
where: short stacking energy: -162.248
Base-Backbone interact. energy: -0.934
local terms energy: -182.611158
where:
bonds (distance) C4'-P energy: -37.079
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -39.309
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -53.899
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: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -535.524706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.524706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.524706 (E_RNA)
where:
Base-Base interactions energy: -361.612
where: short stacking energy: -147.440
Base-Backbone interact. energy: -0.019
local terms energy: -173.893816
where:
bonds (distance) C4'-P energy: -35.261
bonds (distance) P-C4' energy: -35.731
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -27.995
tors. eta vs tors. theta energy: -43.950
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: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -542.294212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.294212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.294212 (E_RNA)
where:
Base-Base interactions energy: -361.667
where: short stacking energy: -154.137
Base-Backbone interact. energy: 0.067
local terms energy: -180.694762
where:
bonds (distance) C4'-P energy: -33.737
bonds (distance) P-C4' energy: -33.117
flat angles C4'-P-C4' energy: -40.281
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -45.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -487.729674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.729674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.729674 (E_RNA)
where:
Base-Base interactions energy: -323.916
where: short stacking energy: -140.219
Base-Backbone interact. energy: -1.077
local terms energy: -162.736435
where:
bonds (distance) C4'-P energy: -32.806
bonds (distance) P-C4' energy: -37.690
flat angles C4'-P-C4' energy: -33.927
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -34.655
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: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -513.821369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.821369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.821369 (E_RNA)
where:
Base-Base interactions energy: -348.494
where: short stacking energy: -147.571
Base-Backbone interact. energy: -0.262
local terms energy: -165.064850
where:
bonds (distance) C4'-P energy: -31.266
bonds (distance) P-C4' energy: -35.667
flat angles C4'-P-C4' energy: -36.477
flat angles P-C4'-P energy: -19.421
tors. eta vs tors. theta energy: -42.233
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: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -426.353935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.353935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.353935 (E_RNA)
where:
Base-Base interactions energy: -284.224
where: short stacking energy: -104.373
Base-Backbone interact. energy: 0.435
local terms energy: -142.565266
where:
bonds (distance) C4'-P energy: -26.926
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -29.534
flat angles P-C4'-P energy: -19.228
tors. eta vs tors. theta energy: -36.198
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: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -370.394714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.394714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.394714 (E_RNA)
where:
Base-Base interactions energy: -231.062
where: short stacking energy: -98.935
Base-Backbone interact. energy: 0.038
local terms energy: -139.370352
where:
bonds (distance) C4'-P energy: -32.644
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -29.140
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -299.129996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.129996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.129996 (E_RNA)
where:
Base-Base interactions energy: -166.602
where: short stacking energy: -87.694
Base-Backbone interact. energy: -0.409
local terms energy: -132.119307
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -24.272
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -168.192659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.192659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.192659 (E_RNA)
where:
Base-Base interactions energy: -78.956
where: short stacking energy: -45.892
Base-Backbone interact. energy: -1.811
local terms energy: -87.425717
where:
bonds (distance) C4'-P energy: -22.296
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -21.841
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -148.050969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.050969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.050969 (E_RNA)
where:
Base-Base interactions energy: -47.253
where: short stacking energy: -39.672
Base-Backbone interact. energy: 2.311
local terms energy: -103.108906
where:
bonds (distance) C4'-P energy: -35.566
bonds (distance) P-C4' energy: -31.489
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: 1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -556.770203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.770203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.770203 (E_RNA)
where:
Base-Base interactions energy: -381.435
where: short stacking energy: -164.953
Base-Backbone interact. energy: -0.197
local terms energy: -175.138335
where:
bonds (distance) C4'-P energy: -32.494
bonds (distance) P-C4' energy: -28.912
flat angles C4'-P-C4' energy: -40.759
flat angles P-C4'-P energy: -21.203
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: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -535.041712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.041712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.041712 (E_RNA)
where:
Base-Base interactions energy: -367.866
where: short stacking energy: -151.233
Base-Backbone interact. energy: -0.200
local terms energy: -166.975400
where:
bonds (distance) C4'-P energy: -33.161
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -32.121
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -42.738
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: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -546.709583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.709583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.709583 (E_RNA)
where:
Base-Base interactions energy: -384.045
where: short stacking energy: -151.682
Base-Backbone interact. energy: -0.792
local terms energy: -161.872358
where:
bonds (distance) C4'-P energy: -38.125
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -33.682
flat angles P-C4'-P energy: -23.110
tors. eta vs tors. theta energy: -46.422
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: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -498.070580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.070580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.070580 (E_RNA)
where:
Base-Base interactions energy: -332.046
where: short stacking energy: -149.658
Base-Backbone interact. energy: -0.724
local terms energy: -165.674305
where:
bonds (distance) C4'-P energy: -33.172
bonds (distance) P-C4' energy: -31.457
flat angles C4'-P-C4' energy: -36.858
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: -42.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.374 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -486.805262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.805262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.805262 (E_RNA)
where:
Base-Base interactions energy: -328.042
where: short stacking energy: -129.016
Base-Backbone interact. energy: 0.389
local terms energy: -159.152943
where:
bonds (distance) C4'-P energy: -32.130
bonds (distance) P-C4' energy: -28.602
flat angles C4'-P-C4' energy: -37.374
flat angles P-C4'-P energy: -24.619
tors. eta vs tors. theta energy: -36.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -421.278903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.278903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.278903 (E_RNA)
where:
Base-Base interactions energy: -271.091
where: short stacking energy: -119.022
Base-Backbone interact. energy: -1.141
local terms energy: -149.046670
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -35.868
flat angles C4'-P-C4' energy: -32.271
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -33.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -376.148163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.148163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.148163 (E_RNA)
where:
Base-Base interactions energy: -240.182
where: short stacking energy: -106.295
Base-Backbone interact. energy: -1.502
local terms energy: -135.169393
where:
bonds (distance) C4'-P energy: -33.352
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -28.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.705 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -306.428120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.428120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.428120 (E_RNA)
where:
Base-Base interactions energy: -181.203
where: short stacking energy: -93.078
Base-Backbone interact. energy: -2.268
local terms energy: -122.956993
where:
bonds (distance) C4'-P energy: -26.785
bonds (distance) P-C4' energy: -30.854
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -16.846
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: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -168.286584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.286584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.286584 (E_RNA)
where:
Base-Base interactions energy: -62.503
where: short stacking energy: -57.711
Base-Backbone interact. energy: 0.383
local terms energy: -106.166680
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -31.219
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -151.110967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.110967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.110967 (E_RNA)
where:
Base-Base interactions energy: -55.028
where: short stacking energy: -38.453
Base-Backbone interact. energy: -0.919
local terms energy: -95.608520
where:
bonds (distance) C4'-P energy: -34.541
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.445 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -568.266131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.266131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.266131 (E_RNA)
where:
Base-Base interactions energy: -383.669
where: short stacking energy: -153.957
Base-Backbone interact. energy: -0.527
local terms energy: -184.070648
where:
bonds (distance) C4'-P energy: -30.840
bonds (distance) P-C4' energy: -39.239
flat angles C4'-P-C4' energy: -36.873
flat angles P-C4'-P energy: -27.297
tors. eta vs tors. theta energy: -49.822
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: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -560.114368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.114368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.114368 (E_RNA)
where:
Base-Base interactions energy: -381.245
where: short stacking energy: -149.839
Base-Backbone interact. energy: -0.806
local terms energy: -178.063214
where:
bonds (distance) C4'-P energy: -29.153
bonds (distance) P-C4' energy: -37.909
flat angles C4'-P-C4' energy: -37.966
flat angles P-C4'-P energy: -28.049
tors. eta vs tors. theta energy: -44.985
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: 271
Temperature: 1.000000
Total energy: -523.960582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.960582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.960582 (E_RNA)
where:
Base-Base interactions energy: -362.956
where: short stacking energy: -151.198
Base-Backbone interact. energy: 0.409
local terms energy: -161.553442
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -37.212
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -39.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.140 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -500.738292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.738292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.738292 (E_RNA)
where:
Base-Base interactions energy: -333.410
where: short stacking energy: -146.427
Base-Backbone interact. energy: -0.726
local terms energy: -169.542704
where:
bonds (distance) C4'-P energy: -35.836
bonds (distance) P-C4' energy: -30.634
flat angles C4'-P-C4' energy: -35.086
flat angles P-C4'-P energy: -22.666
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: 2.940 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -469.745224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.745224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.745224 (E_RNA)
where:
Base-Base interactions energy: -321.368
where: short stacking energy: -146.216
Base-Backbone interact. energy: 0.528
local terms energy: -149.190891
where:
bonds (distance) C4'-P energy: -32.368
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -28.946
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -37.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.285 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -435.952882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.952882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.952882 (E_RNA)
where:
Base-Base interactions energy: -310.757
where: short stacking energy: -119.287
Base-Backbone interact. energy: -0.005
local terms energy: -125.191711
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -27.640
flat angles C4'-P-C4' energy: -29.466
flat angles P-C4'-P energy: -20.446
tors. eta vs tors. theta energy: -25.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -363.984172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.984172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.984172 (E_RNA)
where:
Base-Base interactions energy: -225.549
where: short stacking energy: -100.030
Base-Backbone interact. energy: -1.400
local terms energy: -137.035560
where:
bonds (distance) C4'-P energy: -33.613
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -25.642
flat angles P-C4'-P energy: -20.503
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -314.286105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.286105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.286105 (E_RNA)
where:
Base-Base interactions energy: -192.548
where: short stacking energy: -90.908
Base-Backbone interact. energy: -0.203
local terms energy: -121.753641
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -33.024
flat angles C4'-P-C4' energy: -32.061
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.218 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -157.140996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.140996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.140996 (E_RNA)
where:
Base-Base interactions energy: -52.187
where: short stacking energy: -51.029
Base-Backbone interact. energy: 0.156
local terms energy: -106.023223
where:
bonds (distance) C4'-P energy: -29.396
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -22.696
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.913 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -155.499308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.499308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.499308 (E_RNA)
where:
Base-Base interactions energy: -62.421
where: short stacking energy: -47.266
Base-Backbone interact. energy: -1.234
local terms energy: -91.844853
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -15.452
tors. eta vs tors. theta energy: 0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -567.769539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.769539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.769539 (E_RNA)
where:
Base-Base interactions energy: -374.277
where: short stacking energy: -163.266
Base-Backbone interact. energy: -0.038
local terms energy: -193.454807
where:
bonds (distance) C4'-P energy: -39.082
bonds (distance) P-C4' energy: -35.748
flat angles C4'-P-C4' energy: -39.129
flat angles P-C4'-P energy: -27.563
tors. eta vs tors. theta energy: -51.933
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: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -568.375838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.375838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.375838 (E_RNA)
where:
Base-Base interactions energy: -395.281
where: short stacking energy: -155.104
Base-Backbone interact. energy: -0.779
local terms energy: -172.315776
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -34.397
flat angles C4'-P-C4' energy: -38.626
flat angles P-C4'-P energy: -20.157
tors. eta vs tors. theta energy: -47.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -524.977579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.977579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.977579 (E_RNA)
where:
Base-Base interactions energy: -370.711
where: short stacking energy: -151.693
Base-Backbone interact. energy: -0.099
local terms energy: -155.031089
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -35.023
flat angles C4'-P-C4' energy: -33.295
flat angles P-C4'-P energy: -20.692
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: 0.863 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -509.857292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.857292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.857292 (E_RNA)
where:
Base-Base interactions energy: -353.677
where: short stacking energy: -152.193
Base-Backbone interact. energy: -0.312
local terms energy: -155.868387
where:
bonds (distance) C4'-P energy: -20.461
bonds (distance) P-C4' energy: -30.098
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -19.679
tors. eta vs tors. theta energy: -51.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -470.328992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.328992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.328992 (E_RNA)
where:
Base-Base interactions energy: -325.944
where: short stacking energy: -139.177
Base-Backbone interact. energy: 0.324
local terms energy: -144.708303
where:
bonds (distance) C4'-P energy: -34.132
bonds (distance) P-C4' energy: -27.432
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -33.005
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: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -387.632173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.632173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.632173 (E_RNA)
where:
Base-Base interactions energy: -251.132
where: short stacking energy: -112.040
Base-Backbone interact. energy: -0.312
local terms energy: -136.188380
where:
bonds (distance) C4'-P energy: -28.105
bonds (distance) P-C4' energy: -26.308
flat angles C4'-P-C4' energy: -34.369
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -29.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -391.127322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.127322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.127322 (E_RNA)
where:
Base-Base interactions energy: -241.150
where: short stacking energy: -115.236
Base-Backbone interact. energy: -0.094
local terms energy: -149.882811
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -30.963
flat angles C4'-P-C4' energy: -33.470
flat angles P-C4'-P energy: -20.457
tors. eta vs tors. theta energy: -32.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -318.785500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.785500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.785500 (E_RNA)
where:
Base-Base interactions energy: -194.364
where: short stacking energy: -80.673
Base-Backbone interact. energy: -1.333
local terms energy: -123.088643
where:
bonds (distance) C4'-P energy: -30.523
bonds (distance) P-C4' energy: -33.197
flat angles C4'-P-C4' energy: -25.910
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -162.782037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.782037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.782037 (E_RNA)
where:
Base-Base interactions energy: -64.208
where: short stacking energy: -47.471
Base-Backbone interact. energy: 1.671
local terms energy: -100.244219
where:
bonds (distance) C4'-P energy: -27.772
bonds (distance) P-C4' energy: -33.865
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: 0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -135.940347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.940347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.940347 (E_RNA)
where:
Base-Base interactions energy: -37.356
where: short stacking energy: -34.456
Base-Backbone interact. energy: -0.790
local terms energy: -97.795206
where:
bonds (distance) C4'-P energy: -33.215
bonds (distance) P-C4' energy: -31.633
flat angles C4'-P-C4' energy: -25.075
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: 1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -568.908423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.908423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.908423 (E_RNA)
where:
Base-Base interactions energy: -383.764
where: short stacking energy: -160.309
Base-Backbone interact. energy: -0.043
local terms energy: -185.100578
where:
bonds (distance) C4'-P energy: -29.473
bonds (distance) P-C4' energy: -34.761
flat angles C4'-P-C4' energy: -36.790
flat angles P-C4'-P energy: -31.906
tors. eta vs tors. theta energy: -52.170
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: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -543.873897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.873897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.873897 (E_RNA)
where:
Base-Base interactions energy: -374.733
where: short stacking energy: -162.818
Base-Backbone interact. energy: 0.197
local terms energy: -169.337975
where:
bonds (distance) C4'-P energy: -30.563
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -27.867
tors. eta vs tors. theta energy: -45.533
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: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -549.393360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.393360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.393360 (E_RNA)
where:
Base-Base interactions energy: -367.399
where: short stacking energy: -145.581
Base-Backbone interact. energy: -0.775
local terms energy: -181.219221
where:
bonds (distance) C4'-P energy: -31.931
bonds (distance) P-C4' energy: -39.783
flat angles C4'-P-C4' energy: -39.180
flat angles P-C4'-P energy: -29.453
tors. eta vs tors. theta energy: -40.872
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: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -535.815817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.815817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.815817 (E_RNA)
where:
Base-Base interactions energy: -368.339
where: short stacking energy: -163.721
Base-Backbone interact. energy: -0.143
local terms energy: -167.334017
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -32.130
flat angles C4'-P-C4' energy: -33.587
flat angles P-C4'-P energy: -29.644
tors. eta vs tors. theta energy: -46.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -472.735305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.735305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.735305 (E_RNA)
where:
Base-Base interactions energy: -309.834
where: short stacking energy: -141.774
Base-Backbone interact. energy: 0.933
local terms energy: -163.833726
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -30.628
flat angles C4'-P-C4' energy: -37.703
flat angles P-C4'-P energy: -23.358
tors. eta vs tors. theta energy: -45.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -391.079704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.079704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.079704 (E_RNA)
where:
Base-Base interactions energy: -243.408
where: short stacking energy: -105.270
Base-Backbone interact. energy: -0.004
local terms energy: -147.667413
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -33.411
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -34.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -388.159612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.159612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.159612 (E_RNA)
where:
Base-Base interactions energy: -251.935
where: short stacking energy: -106.085
Base-Backbone interact. energy: -0.690
local terms energy: -135.534690
where:
bonds (distance) C4'-P energy: -26.561
bonds (distance) P-C4' energy: -33.028
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -29.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -187.551690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.551690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.551690 (E_RNA)
where:
Base-Base interactions energy: -89.938
where: short stacking energy: -40.614
Base-Backbone interact. energy: -0.377
local terms energy: -97.236566
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -24.058
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -257.668114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.668114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.668114 (E_RNA)
where:
Base-Base interactions energy: -152.348
where: short stacking energy: -68.141
Base-Backbone interact. energy: -0.482
local terms energy: -104.837823
where:
bonds (distance) C4'-P energy: -25.475
bonds (distance) P-C4' energy: -27.788
flat angles C4'-P-C4' energy: -22.017
flat angles P-C4'-P energy: -22.231
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -151.844140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.844140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.844140 (E_RNA)
where:
Base-Base interactions energy: -44.071
where: short stacking energy: -42.125
Base-Backbone interact. energy: 0.057
local terms energy: -107.829588
where:
bonds (distance) C4'-P energy: -30.209
bonds (distance) P-C4' energy: -30.962
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: 1.121
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: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -570.623188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.623188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.623188 (E_RNA)
where:
Base-Base interactions energy: -383.445
where: short stacking energy: -164.805
Base-Backbone interact. energy: -0.302
local terms energy: -188.053493
where:
bonds (distance) C4'-P energy: -37.164
bonds (distance) P-C4' energy: -37.973
flat angles C4'-P-C4' energy: -32.818
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -53.004
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: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -556.091570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.091570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.091570 (E_RNA)
where:
Base-Base interactions energy: -377.114
where: short stacking energy: -162.034
Base-Backbone interact. energy: -0.057
local terms energy: -178.921302
where:
bonds (distance) C4'-P energy: -29.713
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -36.937
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -49.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -544.198337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.198337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.198337 (E_RNA)
where:
Base-Base interactions energy: -386.706
where: short stacking energy: -165.569
Base-Backbone interact. energy: -1.012
local terms energy: -156.480529
where:
bonds (distance) C4'-P energy: -34.380
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -35.678
flat angles P-C4'-P energy: -19.850
tors. eta vs tors. theta energy: -48.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -548.705144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.705144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.705144 (E_RNA)
where:
Base-Base interactions energy: -369.608
where: short stacking energy: -171.547
Base-Backbone interact. energy: -0.044
local terms energy: -179.052923
where:
bonds (distance) C4'-P energy: -31.582
bonds (distance) P-C4' energy: -40.069
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -55.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -463.787046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.787046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.787046 (E_RNA)
where:
Base-Base interactions energy: -313.734
where: short stacking energy: -134.348
Base-Backbone interact. energy: -0.425
local terms energy: -149.628814
where:
bonds (distance) C4'-P energy: -32.879
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -30.031
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: -38.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -404.832530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.832530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.832530 (E_RNA)
where:
Base-Base interactions energy: -264.052
where: short stacking energy: -127.409
Base-Backbone interact. energy: 0.333
local terms energy: -141.113120
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -27.253
flat angles C4'-P-C4' energy: -39.336
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -33.897
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: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -411.103048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.103048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.103048 (E_RNA)
where:
Base-Base interactions energy: -271.672
where: short stacking energy: -108.916
Base-Backbone interact. energy: 1.462
local terms energy: -140.893724
where:
bonds (distance) C4'-P energy: -29.436
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -27.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -159.759104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.759104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.759104 (E_RNA)
where:
Base-Base interactions energy: -67.855
where: short stacking energy: -60.016
Base-Backbone interact. energy: -1.559
local terms energy: -90.344265
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -27.943
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: 7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -306.008147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.008147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.008147 (E_RNA)
where:
Base-Base interactions energy: -189.263
where: short stacking energy: -77.528
Base-Backbone interact. energy: 0.081
local terms energy: -116.825920
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -21.745
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -173.338732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.338732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.338732 (E_RNA)
where:
Base-Base interactions energy: -89.700
where: short stacking energy: -63.425
Base-Backbone interact. energy: 0.318
local terms energy: -83.956914
where:
bonds (distance) C4'-P energy: -21.450
bonds (distance) P-C4' energy: -29.348
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -569.989444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.989444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.989444 (E_RNA)
where:
Base-Base interactions energy: -388.685
where: short stacking energy: -161.154
Base-Backbone interact. energy: 0.771
local terms energy: -182.074800
where:
bonds (distance) C4'-P energy: -37.092
bonds (distance) P-C4' energy: -37.141
flat angles C4'-P-C4' energy: -32.795
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -49.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -562.798229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.798229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.798229 (E_RNA)
where:
Base-Base interactions energy: -386.497
where: short stacking energy: -156.932
Base-Backbone interact. energy: -0.479
local terms energy: -175.822192
where:
bonds (distance) C4'-P energy: -34.996
bonds (distance) P-C4' energy: -30.812
flat angles C4'-P-C4' energy: -34.852
flat angles P-C4'-P energy: -26.800
tors. eta vs tors. theta energy: -48.362
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: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -534.562362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.562362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.562362 (E_RNA)
where:
Base-Base interactions energy: -369.246
where: short stacking energy: -151.890
Base-Backbone interact. energy: -0.110
local terms energy: -165.205951
where:
bonds (distance) C4'-P energy: -32.975
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -31.084
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -45.484
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: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -533.375160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.375160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.375160 (E_RNA)
where:
Base-Base interactions energy: -369.725
where: short stacking energy: -162.209
Base-Backbone interact. energy: -0.831
local terms energy: -165.188959
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -35.012
flat angles C4'-P-C4' energy: -37.615
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -52.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.369 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -440.452619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.452619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.452619 (E_RNA)
where:
Base-Base interactions energy: -295.008
where: short stacking energy: -125.185
Base-Backbone interact. energy: -0.338
local terms energy: -145.106586
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -39.203
flat angles C4'-P-C4' energy: -30.154
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -28.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -388.339282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.339282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.339282 (E_RNA)
where:
Base-Base interactions energy: -246.024
where: short stacking energy: -107.132
Base-Backbone interact. energy: -1.014
local terms energy: -141.302083
where:
bonds (distance) C4'-P energy: -23.548
bonds (distance) P-C4' energy: -35.236
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -19.803
tors. eta vs tors. theta energy: -26.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -388.364783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.364783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.364783 (E_RNA)
where:
Base-Base interactions energy: -270.711
where: short stacking energy: -109.278
Base-Backbone interact. energy: -0.094
local terms energy: -117.560251
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -28.071
flat angles C4'-P-C4' energy: -31.933
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -22.154
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: 275
Temperature: 1.250000
Total energy: -331.604777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.604777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.604777 (E_RNA)
where:
Base-Base interactions energy: -197.462
where: short stacking energy: -100.918
Base-Backbone interact. energy: 0.956
local terms energy: -135.099075
where:
bonds (distance) C4'-P energy: -26.443
bonds (distance) P-C4' energy: -29.584
flat angles C4'-P-C4' energy: -32.157
flat angles P-C4'-P energy: -21.254
tors. eta vs tors. theta energy: -25.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -164.392552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.392552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.392552 (E_RNA)
where:
Base-Base interactions energy: -71.178
where: short stacking energy: -51.114
Base-Backbone interact. energy: -0.809
local terms energy: -92.405873
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: 0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -152.321446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.321446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.321446 (E_RNA)
where:
Base-Base interactions energy: -59.629
where: short stacking energy: -51.662
Base-Backbone interact. energy: -1.264
local terms energy: -91.429143
where:
bonds (distance) C4'-P energy: -31.804
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: 3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -582.130301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.130301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.130301 (E_RNA)
where:
Base-Base interactions energy: -393.025
where: short stacking energy: -171.954
Base-Backbone interact. energy: -0.009
local terms energy: -189.914593
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -39.944
flat angles C4'-P-C4' energy: -32.058
flat angles P-C4'-P energy: -30.913
tors. eta vs tors. theta energy: -55.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.819 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -567.578187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.578187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.578187 (E_RNA)
where:
Base-Base interactions energy: -385.891
where: short stacking energy: -161.919
Base-Backbone interact. energy: -1.326
local terms energy: -180.360841
where:
bonds (distance) C4'-P energy: -35.845
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -39.653
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -47.475
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: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -544.465041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.465041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.465041 (E_RNA)
where:
Base-Base interactions energy: -366.894
where: short stacking energy: -155.019
Base-Backbone interact. energy: -0.387
local terms energy: -177.184232
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -30.433
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -26.798
tors. eta vs tors. theta energy: -51.757
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: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -512.868654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.868654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.868654 (E_RNA)
where:
Base-Base interactions energy: -353.022
where: short stacking energy: -149.315
Base-Backbone interact. energy: -0.019
local terms energy: -159.827775
where:
bonds (distance) C4'-P energy: -32.108
bonds (distance) P-C4' energy: -28.328
flat angles C4'-P-C4' energy: -33.549
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -44.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -458.367456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.367456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.367456 (E_RNA)
where:
Base-Base interactions energy: -303.563
where: short stacking energy: -140.347
Base-Backbone interact. energy: -0.096
local terms energy: -154.708445
where:
bonds (distance) C4'-P energy: -27.930
bonds (distance) P-C4' energy: -31.778
flat angles C4'-P-C4' energy: -33.317
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -42.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -407.931811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.931811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.931811 (E_RNA)
where:
Base-Base interactions energy: -260.433
where: short stacking energy: -118.740
Base-Backbone interact. energy: 0.027
local terms energy: -147.525476
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -33.224
flat angles C4'-P-C4' energy: -33.400
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -32.016
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: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -318.801216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.801216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.801216 (E_RNA)
where:
Base-Base interactions energy: -182.411
where: short stacking energy: -91.919
Base-Backbone interact. energy: 0.806
local terms energy: -137.196645
where:
bonds (distance) C4'-P energy: -31.540
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -36.448
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -357.665391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.665391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.665391 (E_RNA)
where:
Base-Base interactions energy: -224.997
where: short stacking energy: -108.860
Base-Backbone interact. energy: -0.141
local terms energy: -132.526966
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -33.945
flat angles C4'-P-C4' energy: -25.034
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -29.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -148.379472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.379472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.379472 (E_RNA)
where:
Base-Base interactions energy: -55.205
where: short stacking energy: -40.297
Base-Backbone interact. energy: -1.585
local terms energy: -93.884087
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -33.675
flat angles C4'-P-C4' energy: -27.854
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: 7.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.294 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -164.190830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.190830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.190830 (E_RNA)
where:
Base-Base interactions energy: -67.705
where: short stacking energy: -58.866
Base-Backbone interact. energy: -0.219
local terms energy: -96.266210
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -6.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -561.068832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.068832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.068832 (E_RNA)
where:
Base-Base interactions energy: -383.062
where: short stacking energy: -151.968
Base-Backbone interact. energy: -0.341
local terms energy: -178.098944
where:
bonds (distance) C4'-P energy: -29.888
bonds (distance) P-C4' energy: -36.273
flat angles C4'-P-C4' energy: -37.651
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -51.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.433 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -556.061854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.061854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.061854 (E_RNA)
where:
Base-Base interactions energy: -372.981
where: short stacking energy: -148.402
Base-Backbone interact. energy: -0.490
local terms energy: -182.591335
where:
bonds (distance) C4'-P energy: -38.258
bonds (distance) P-C4' energy: -31.065
flat angles C4'-P-C4' energy: -39.715
flat angles P-C4'-P energy: -28.382
tors. eta vs tors. theta energy: -45.171
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: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -572.789080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.789080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.789080 (E_RNA)
where:
Base-Base interactions energy: -382.302
where: short stacking energy: -158.584
Base-Backbone interact. energy: -0.561
local terms energy: -190.430781
where:
bonds (distance) C4'-P energy: -31.823
bonds (distance) P-C4' energy: -39.384
flat angles C4'-P-C4' energy: -42.072
flat angles P-C4'-P energy: -25.045
tors. eta vs tors. theta energy: -52.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.504 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -505.981624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.981624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.981624 (E_RNA)
where:
Base-Base interactions energy: -349.415
where: short stacking energy: -153.729
Base-Backbone interact. energy: -0.453
local terms energy: -156.113808
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -24.940
flat angles C4'-P-C4' energy: -33.573
flat angles P-C4'-P energy: -28.602
tors. eta vs tors. theta energy: -41.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -453.704206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.704206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.704206 (E_RNA)
where:
Base-Base interactions energy: -296.151
where: short stacking energy: -129.450
Base-Backbone interact. energy: -0.112
local terms energy: -157.441298
where:
bonds (distance) C4'-P energy: -30.380
bonds (distance) P-C4' energy: -32.426
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -26.036
tors. eta vs tors. theta energy: -37.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -410.512760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.512760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.512760 (E_RNA)
where:
Base-Base interactions energy: -260.353
where: short stacking energy: -114.850
Base-Backbone interact. energy: -0.407
local terms energy: -149.752818
where:
bonds (distance) C4'-P energy: -34.483
bonds (distance) P-C4' energy: -32.498
flat angles C4'-P-C4' energy: -32.286
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -27.431
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: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -314.395101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.395101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.395101 (E_RNA)
where:
Base-Base interactions energy: -198.780
where: short stacking energy: -97.400
Base-Backbone interact. energy: -0.648
local terms energy: -114.966867
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -25.975
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -313.148114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.148114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.148114 (E_RNA)
where:
Base-Base interactions energy: -205.696
where: short stacking energy: -89.489
Base-Backbone interact. energy: 2.624
local terms energy: -110.076501
where:
bonds (distance) C4'-P energy: -28.591
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -14.809
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: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -154.920667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.920667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.920667 (E_RNA)
where:
Base-Base interactions energy: -57.734
where: short stacking energy: -50.663
Base-Backbone interact. energy: 0.225
local terms energy: -98.401393
where:
bonds (distance) C4'-P energy: -27.449
bonds (distance) P-C4' energy: -31.082
flat angles C4'-P-C4' energy: -32.274
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.990 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -148.647199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.647199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.647199 (E_RNA)
where:
Base-Base interactions energy: -41.705
where: short stacking energy: -34.468
Base-Backbone interact. energy: 0.237
local terms energy: -107.179149
where:
bonds (distance) C4'-P energy: -28.565
bonds (distance) P-C4' energy: -27.695
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -18.211
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: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -565.359715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.359715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.359715 (E_RNA)
where:
Base-Base interactions energy: -404.679
where: short stacking energy: -156.072
Base-Backbone interact. energy: 0.121
local terms energy: -160.801963
where:
bonds (distance) C4'-P energy: -32.978
bonds (distance) P-C4' energy: -30.686
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -46.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -539.421152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.421152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.421152 (E_RNA)
where:
Base-Base interactions energy: -354.465
where: short stacking energy: -156.183
Base-Backbone interact. energy: -0.027
local terms energy: -184.929603
where:
bonds (distance) C4'-P energy: -35.961
bonds (distance) P-C4' energy: -35.157
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -53.490
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: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -545.074597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.074597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.074597 (E_RNA)
where:
Base-Base interactions energy: -367.378
where: short stacking energy: -161.606
Base-Backbone interact. energy: -0.007
local terms energy: -177.689090
where:
bonds (distance) C4'-P energy: -29.923
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -33.845
flat angles P-C4'-P energy: -27.119
tors. eta vs tors. theta energy: -51.183
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: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -523.463663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.463663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.463663 (E_RNA)
where:
Base-Base interactions energy: -365.223
where: short stacking energy: -147.443
Base-Backbone interact. energy: -0.639
local terms energy: -157.601215
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -35.796
flat angles P-C4'-P energy: -25.380
tors. eta vs tors. theta energy: -42.447
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: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -466.874439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.874439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.874439 (E_RNA)
where:
Base-Base interactions energy: -310.245
where: short stacking energy: -137.051
Base-Backbone interact. energy: -0.073
local terms energy: -156.556832
where:
bonds (distance) C4'-P energy: -29.998
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -33.735
flat angles P-C4'-P energy: -21.569
tors. eta vs tors. theta energy: -41.648
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: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -449.622440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.622440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.622440 (E_RNA)
where:
Base-Base interactions energy: -297.408
where: short stacking energy: -132.290
Base-Backbone interact. energy: 1.075
local terms energy: -153.288731
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -34.735
flat angles C4'-P-C4' energy: -34.210
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -38.374
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: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -348.888708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.888708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.888708 (E_RNA)
where:
Base-Base interactions energy: -230.743
where: short stacking energy: -103.030
Base-Backbone interact. energy: -0.389
local terms energy: -117.756504
where:
bonds (distance) C4'-P energy: -30.899
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -31.620
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -324.648953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.648953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.648953 (E_RNA)
where:
Base-Base interactions energy: -195.792
where: short stacking energy: -86.495
Base-Backbone interact. energy: -0.552
local terms energy: -128.305134
where:
bonds (distance) C4'-P energy: -29.917
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -27.620
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -169.298458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.298458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.298458 (E_RNA)
where:
Base-Base interactions energy: -65.115
where: short stacking energy: -47.696
Base-Backbone interact. energy: -0.056
local terms energy: -104.127664
where:
bonds (distance) C4'-P energy: -28.388
bonds (distance) P-C4' energy: -31.828
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -21.062
tors. eta vs tors. theta energy: 5.438
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: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -158.718342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.718342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.718342 (E_RNA)
where:
Base-Base interactions energy: -54.201
where: short stacking energy: -41.867
Base-Backbone interact. energy: 0.424
local terms energy: -104.941734
where:
bonds (distance) C4'-P energy: -30.698
bonds (distance) P-C4' energy: -32.211
flat angles C4'-P-C4' energy: -22.614
flat angles P-C4'-P energy: -19.211
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -574.203047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.203047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.203047 (E_RNA)
where:
Base-Base interactions energy: -394.469
where: short stacking energy: -165.584
Base-Backbone interact. energy: 0.950
local terms energy: -180.684207
where:
bonds (distance) C4'-P energy: -31.781
bonds (distance) P-C4' energy: -33.188
flat angles C4'-P-C4' energy: -35.987
flat angles P-C4'-P energy: -30.925
tors. eta vs tors. theta energy: -48.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -544.285410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.285410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.285410 (E_RNA)
where:
Base-Base interactions energy: -369.384
where: short stacking energy: -164.768
Base-Backbone interact. energy: -0.011
local terms energy: -174.889744
where:
bonds (distance) C4'-P energy: -30.622
bonds (distance) P-C4' energy: -33.803
flat angles C4'-P-C4' energy: -36.900
flat angles P-C4'-P energy: -25.665
tors. eta vs tors. theta energy: -47.900
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: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -547.498433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.498433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.498433 (E_RNA)
where:
Base-Base interactions energy: -378.241
where: short stacking energy: -160.279
Base-Backbone interact. energy: -0.597
local terms energy: -169.196170
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -36.742
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -48.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.535 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -517.562855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.562855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.562855 (E_RNA)
where:
Base-Base interactions energy: -358.450
where: short stacking energy: -133.795
Base-Backbone interact. energy: -0.199
local terms energy: -158.913898
where:
bonds (distance) C4'-P energy: -31.464
bonds (distance) P-C4' energy: -34.376
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -43.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -459.719532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.719532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.719532 (E_RNA)
where:
Base-Base interactions energy: -313.826
where: short stacking energy: -131.080
Base-Backbone interact. energy: -0.241
local terms energy: -145.651975
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -38.647
flat angles C4'-P-C4' energy: -28.961
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -34.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -475.175137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.175137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.175137 (E_RNA)
where:
Base-Base interactions energy: -326.371
where: short stacking energy: -121.397
Base-Backbone interact. energy: -1.049
local terms energy: -147.755447
where:
bonds (distance) C4'-P energy: -33.816
bonds (distance) P-C4' energy: -26.506
flat angles C4'-P-C4' energy: -35.072
flat angles P-C4'-P energy: -18.124
tors. eta vs tors. theta energy: -34.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -368.041371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.041371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.041371 (E_RNA)
where:
Base-Base interactions energy: -222.332
where: short stacking energy: -106.005
Base-Backbone interact. energy: -0.437
local terms energy: -145.271460
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -32.570
flat angles C4'-P-C4' energy: -28.376
flat angles P-C4'-P energy: -21.047
tors. eta vs tors. theta energy: -27.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -295.242549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.242549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.242549 (E_RNA)
where:
Base-Base interactions energy: -168.833
where: short stacking energy: -73.640
Base-Backbone interact. energy: 2.212
local terms energy: -128.621219
where:
bonds (distance) C4'-P energy: -29.702
bonds (distance) P-C4' energy: -37.231
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -21.835
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -162.463078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.463078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.463078 (E_RNA)
where:
Base-Base interactions energy: -55.910
where: short stacking energy: -49.845
Base-Backbone interact. energy: -0.418
local terms energy: -106.134969
where:
bonds (distance) C4'-P energy: -31.899
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -150.617126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.617126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.617126 (E_RNA)
where:
Base-Base interactions energy: -78.106
where: short stacking energy: -54.681
Base-Backbone interact. energy: 6.996
local terms energy: -79.507421
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -28.395
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: 0.925
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: 280
Temperature: 0.900000
Total energy: -579.791053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.791053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.791053 (E_RNA)
where:
Base-Base interactions energy: -399.750
where: short stacking energy: -184.436
Base-Backbone interact. energy: -0.822
local terms energy: -184.031414
where:
bonds (distance) C4'-P energy: -32.815
bonds (distance) P-C4' energy: -40.833
flat angles C4'-P-C4' energy: -35.851
flat angles P-C4'-P energy: -23.829
tors. eta vs tors. theta energy: -50.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.813 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -560.331531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.331531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.331531 (E_RNA)
where:
Base-Base interactions energy: -387.063
where: short stacking energy: -158.391
Base-Backbone interact. energy: 0.540
local terms energy: -173.808066
where:
bonds (distance) C4'-P energy: -28.799
bonds (distance) P-C4' energy: -32.175
flat angles C4'-P-C4' energy: -35.520
flat angles P-C4'-P energy: -30.738
tors. eta vs tors. theta energy: -46.577
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: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -548.089986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.089986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.089986 (E_RNA)
where:
Base-Base interactions energy: -366.308
where: short stacking energy: -150.335
Base-Backbone interact. energy: -1.086
local terms energy: -180.695928
where:
bonds (distance) C4'-P energy: -37.596
bonds (distance) P-C4' energy: -37.774
flat angles C4'-P-C4' energy: -33.127
flat angles P-C4'-P energy: -25.589
tors. eta vs tors. theta energy: -46.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -520.246433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.246433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.246433 (E_RNA)
where:
Base-Base interactions energy: -352.420
where: short stacking energy: -143.712
Base-Backbone interact. energy: -0.511
local terms energy: -167.316121
where:
bonds (distance) C4'-P energy: -33.890
bonds (distance) P-C4' energy: -31.425
flat angles C4'-P-C4' energy: -36.137
flat angles P-C4'-P energy: -25.465
tors. eta vs tors. theta energy: -40.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -498.479402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.479402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.479402 (E_RNA)
where:
Base-Base interactions energy: -339.637
where: short stacking energy: -128.729
Base-Backbone interact. energy: 4.109
local terms energy: -162.951670
where:
bonds (distance) C4'-P energy: -30.838
bonds (distance) P-C4' energy: -40.824
flat angles C4'-P-C4' energy: -31.416
flat angles P-C4'-P energy: -26.124
tors. eta vs tors. theta energy: -33.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -422.819963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.819963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.819963 (E_RNA)
where:
Base-Base interactions energy: -272.151
where: short stacking energy: -116.871
Base-Backbone interact. energy: -0.047
local terms energy: -150.622392
where:
bonds (distance) C4'-P energy: -30.420
bonds (distance) P-C4' energy: -32.685
flat angles C4'-P-C4' energy: -32.687
flat angles P-C4'-P energy: -21.849
tors. eta vs tors. theta energy: -32.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -328.042991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.042991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.042991 (E_RNA)
where:
Base-Base interactions energy: -203.530
where: short stacking energy: -109.225
Base-Backbone interact. energy: -0.263
local terms energy: -124.250019
where:
bonds (distance) C4'-P energy: -31.269
bonds (distance) P-C4' energy: -28.901
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -303.248048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.248048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.248048 (E_RNA)
where:
Base-Base interactions energy: -172.993
where: short stacking energy: -84.523
Base-Backbone interact. energy: -0.227
local terms energy: -130.027928
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -35.450
flat angles C4'-P-C4' energy: -26.407
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -169.112235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.112235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.112235 (E_RNA)
where:
Base-Base interactions energy: -82.216
where: short stacking energy: -60.009
Base-Backbone interact. energy: -0.836
local terms energy: -86.059376
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -26.482
flat angles C4'-P-C4' energy: -29.685
flat angles P-C4'-P energy: -20.916
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: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -137.028213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.028213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.028213 (E_RNA)
where:
Base-Base interactions energy: -59.897
where: short stacking energy: -35.109
Base-Backbone interact. energy: -1.970
local terms energy: -75.160917
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -30.268
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -0.980
tors. eta vs tors. theta energy: 4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -559.139387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.139387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.139387 (E_RNA)
where:
Base-Base interactions energy: -372.608
where: short stacking energy: -166.315
Base-Backbone interact. energy: -0.828
local terms energy: -186.672750
where:
bonds (distance) C4'-P energy: -34.557
bonds (distance) P-C4' energy: -37.228
flat angles C4'-P-C4' energy: -38.613
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -53.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.969 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -566.637366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.637366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.637366 (E_RNA)
where:
Base-Base interactions energy: -381.306
where: short stacking energy: -168.923
Base-Backbone interact. energy: -0.129
local terms energy: -185.202706
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -35.995
flat angles C4'-P-C4' energy: -28.622
flat angles P-C4'-P energy: -26.568
tors. eta vs tors. theta energy: -57.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -557.523383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.523383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.523383 (E_RNA)
where:
Base-Base interactions energy: -379.369
where: short stacking energy: -154.758
Base-Backbone interact. energy: -0.206
local terms energy: -177.948408
where:
bonds (distance) C4'-P energy: -38.069
bonds (distance) P-C4' energy: -26.377
flat angles C4'-P-C4' energy: -39.070
flat angles P-C4'-P energy: -26.855
tors. eta vs tors. theta energy: -47.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -520.688601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.688601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.688601 (E_RNA)
where:
Base-Base interactions energy: -355.330
where: short stacking energy: -152.171
Base-Backbone interact. energy: -0.772
local terms energy: -164.586147
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -37.299
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -45.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -505.006741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.006741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.006741 (E_RNA)
where:
Base-Base interactions energy: -357.987
where: short stacking energy: -144.553
Base-Backbone interact. energy: -0.072
local terms energy: -146.947116
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -32.042
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -37.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -434.369425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.369425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.369425 (E_RNA)
where:
Base-Base interactions energy: -288.173
where: short stacking energy: -121.218
Base-Backbone interact. energy: -0.465
local terms energy: -145.730904
where:
bonds (distance) C4'-P energy: -32.446
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -31.752
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -31.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -376.113135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.113135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.113135 (E_RNA)
where:
Base-Base interactions energy: -231.513
where: short stacking energy: -105.556
Base-Backbone interact. energy: -0.783
local terms energy: -143.816308
where:
bonds (distance) C4'-P energy: -28.045
bonds (distance) P-C4' energy: -33.858
flat angles C4'-P-C4' energy: -33.498
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -26.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -288.715775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.715775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.715775 (E_RNA)
where:
Base-Base interactions energy: -169.109
where: short stacking energy: -92.094
Base-Backbone interact. energy: -0.789
local terms energy: -119.331001
where:
bonds (distance) C4'-P energy: -31.204
bonds (distance) P-C4' energy: -31.394
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.513 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -161.325384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.325384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.325384 (E_RNA)
where:
Base-Base interactions energy: -48.032
where: short stacking energy: -38.617
Base-Backbone interact. energy: -1.300
local terms energy: -111.993875
where:
bonds (distance) C4'-P energy: -31.554
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -32.080
flat angles P-C4'-P energy: -20.459
tors. eta vs tors. theta energy: 4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -149.796041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.796041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.796041 (E_RNA)
where:
Base-Base interactions energy: -51.330
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.611
local terms energy: -97.855179
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -27.805
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -16.516
tors. eta vs tors. theta energy: 3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -566.016425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.016425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.016425 (E_RNA)
where:
Base-Base interactions energy: -381.153
where: short stacking energy: -163.314
Base-Backbone interact. energy: 0.358
local terms energy: -185.221992
where:
bonds (distance) C4'-P energy: -36.457
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -37.969
flat angles P-C4'-P energy: -29.588
tors. eta vs tors. theta energy: -53.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -530.432164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.432164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.432164 (E_RNA)
where:
Base-Base interactions energy: -371.932
where: short stacking energy: -155.525
Base-Backbone interact. energy: -0.789
local terms energy: -162.622983
where:
bonds (distance) C4'-P energy: -32.451
bonds (distance) P-C4' energy: -37.673
flat angles C4'-P-C4' energy: -26.831
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -44.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.913 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -539.102332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.102332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.102332 (E_RNA)
where:
Base-Base interactions energy: -372.804
where: short stacking energy: -154.833
Base-Backbone interact. energy: -0.015
local terms energy: -166.282587
where:
bonds (distance) C4'-P energy: -28.284
bonds (distance) P-C4' energy: -37.238
flat angles C4'-P-C4' energy: -35.946
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: -43.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -522.162131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.162131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.162131 (E_RNA)
where:
Base-Base interactions energy: -362.174
where: short stacking energy: -145.418
Base-Backbone interact. energy: -1.104
local terms energy: -158.883965
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -36.775
flat angles C4'-P-C4' energy: -30.450
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -45.255
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: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -504.117615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.117615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.117615 (E_RNA)
where:
Base-Base interactions energy: -340.220
where: short stacking energy: -138.388
Base-Backbone interact. energy: -0.447
local terms energy: -163.451124
where:
bonds (distance) C4'-P energy: -35.239
bonds (distance) P-C4' energy: -28.564
flat angles C4'-P-C4' energy: -31.486
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: -41.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -401.502846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.502846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.502846 (E_RNA)
where:
Base-Base interactions energy: -254.880
where: short stacking energy: -109.666
Base-Backbone interact. energy: -0.824
local terms energy: -145.799634
where:
bonds (distance) C4'-P energy: -26.418
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -27.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -361.448681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.448681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.448681 (E_RNA)
where:
Base-Base interactions energy: -239.072
where: short stacking energy: -97.212
Base-Backbone interact. energy: -0.078
local terms energy: -122.979296
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -27.426
flat angles C4'-P-C4' energy: -34.311
flat angles P-C4'-P energy: -16.237
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: 0.681 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -278.588079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.588079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.588079 (E_RNA)
where:
Base-Base interactions energy: -151.871
where: short stacking energy: -77.538
Base-Backbone interact. energy: 2.740
local terms energy: -129.457627
where:
bonds (distance) C4'-P energy: -32.288
bonds (distance) P-C4' energy: -32.880
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -19.068
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -154.010296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.010296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.010296 (E_RNA)
where:
Base-Base interactions energy: -61.082
where: short stacking energy: -40.015
Base-Backbone interact. energy: 1.426
local terms energy: -94.354359
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -31.838
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: 5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -153.776156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.776156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.776156 (E_RNA)
where:
Base-Base interactions energy: -62.914
where: short stacking energy: -45.267
Base-Backbone interact. energy: -0.440
local terms energy: -90.422612
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -37.137
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: 5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -583.011827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.011827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.011827 (E_RNA)
where:
Base-Base interactions energy: -394.421
where: short stacking energy: -171.994
Base-Backbone interact. energy: -0.419
local terms energy: -188.172286
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -33.637
flat angles C4'-P-C4' energy: -39.580
flat angles P-C4'-P energy: -31.459
tors. eta vs tors. theta energy: -57.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -563.963272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.963272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.963272 (E_RNA)
where:
Base-Base interactions energy: -390.378
where: short stacking energy: -160.546
Base-Backbone interact. energy: -0.281
local terms energy: -173.303934
where:
bonds (distance) C4'-P energy: -34.862
bonds (distance) P-C4' energy: -34.119
flat angles C4'-P-C4' energy: -37.943
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -43.869
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: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -534.012783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.012783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.012783 (E_RNA)
where:
Base-Base interactions energy: -367.620
where: short stacking energy: -143.962
Base-Backbone interact. energy: -0.724
local terms energy: -166.692520
where:
bonds (distance) C4'-P energy: -32.580
bonds (distance) P-C4' energy: -34.629
flat angles C4'-P-C4' energy: -35.069
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -42.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.025 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -514.768461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.768461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.768461 (E_RNA)
where:
Base-Base interactions energy: -353.292
where: short stacking energy: -138.516
Base-Backbone interact. energy: -0.380
local terms energy: -161.096611
where:
bonds (distance) C4'-P energy: -25.113
bonds (distance) P-C4' energy: -35.173
flat angles C4'-P-C4' energy: -33.458
flat angles P-C4'-P energy: -22.499
tors. eta vs tors. theta energy: -44.853
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: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -528.160516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.160516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.160516 (E_RNA)
where:
Base-Base interactions energy: -364.049
where: short stacking energy: -153.174
Base-Backbone interact. energy: -0.087
local terms energy: -165.948687
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -32.743
flat angles C4'-P-C4' energy: -38.154
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -41.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.924 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -354.193239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.193239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.193239 (E_RNA)
where:
Base-Base interactions energy: -208.864
where: short stacking energy: -101.260
Base-Backbone interact. energy: -0.504
local terms energy: -144.824292
where:
bonds (distance) C4'-P energy: -34.904
bonds (distance) P-C4' energy: -22.106
flat angles C4'-P-C4' energy: -34.098
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -31.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -402.267598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.267598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.267598 (E_RNA)
where:
Base-Base interactions energy: -274.557
where: short stacking energy: -117.484
Base-Backbone interact. energy: -0.277
local terms energy: -127.433805
where:
bonds (distance) C4'-P energy: -26.738
bonds (distance) P-C4' energy: -29.076
flat angles C4'-P-C4' energy: -28.722
flat angles P-C4'-P energy: -21.797
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -314.445656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.445656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.445656 (E_RNA)
where:
Base-Base interactions energy: -186.067
where: short stacking energy: -86.425
Base-Backbone interact. energy: 3.521
local terms energy: -131.900098
where:
bonds (distance) C4'-P energy: -24.903
bonds (distance) P-C4' energy: -33.827
flat angles C4'-P-C4' energy: -35.075
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -145.438391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.438391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.438391 (E_RNA)
where:
Base-Base interactions energy: -54.781
where: short stacking energy: -34.208
Base-Backbone interact. energy: 0.937
local terms energy: -91.594239
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -36.355
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: 0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -154.481773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.481773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.481773 (E_RNA)
where:
Base-Base interactions energy: -53.167
where: short stacking energy: -41.480
Base-Backbone interact. energy: -0.144
local terms energy: -101.170330
where:
bonds (distance) C4'-P energy: -35.887
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -25.371
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: 3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -566.730047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.730047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.730047 (E_RNA)
where:
Base-Base interactions energy: -401.277
where: short stacking energy: -162.340
Base-Backbone interact. energy: -0.248
local terms energy: -165.205118
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -33.939
flat angles P-C4'-P energy: -25.347
tors. eta vs tors. theta energy: -46.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -564.932777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.932777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.932777 (E_RNA)
where:
Base-Base interactions energy: -385.885
where: short stacking energy: -167.921
Base-Backbone interact. energy: -0.096
local terms energy: -178.951377
where:
bonds (distance) C4'-P energy: -26.311
bonds (distance) P-C4' energy: -30.074
flat angles C4'-P-C4' energy: -39.134
flat angles P-C4'-P energy: -26.929
tors. eta vs tors. theta energy: -56.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -536.707034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.707034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.707034 (E_RNA)
where:
Base-Base interactions energy: -360.729
where: short stacking energy: -149.630
Base-Backbone interact. energy: -0.066
local terms energy: -175.911630
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -40.167
flat angles C4'-P-C4' energy: -37.609
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -42.974
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: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -515.627116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.627116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.627116 (E_RNA)
where:
Base-Base interactions energy: -366.166
where: short stacking energy: -154.739
Base-Backbone interact. energy: -0.743
local terms energy: -148.717728
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -36.803
flat angles P-C4'-P energy: -17.743
tors. eta vs tors. theta energy: -40.580
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: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -515.721373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.721373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.721373 (E_RNA)
where:
Base-Base interactions energy: -359.268
where: short stacking energy: -149.679
Base-Backbone interact. energy: -0.177
local terms energy: -156.275974
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -35.120
flat angles P-C4'-P energy: -23.042
tors. eta vs tors. theta energy: -42.323
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: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -333.625964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.625964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.625964 (E_RNA)
where:
Base-Base interactions energy: -200.685
where: short stacking energy: -90.125
Base-Backbone interact. energy: 0.131
local terms energy: -133.072019
where:
bonds (distance) C4'-P energy: -33.869
bonds (distance) P-C4' energy: -25.841
flat angles C4'-P-C4' energy: -34.518
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -399.760430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.760430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.760430 (E_RNA)
where:
Base-Base interactions energy: -264.066
where: short stacking energy: -115.814
Base-Backbone interact. energy: -0.977
local terms energy: -134.717542
where:
bonds (distance) C4'-P energy: -27.290
bonds (distance) P-C4' energy: -34.537
flat angles C4'-P-C4' energy: -30.287
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -27.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -327.539045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.539045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.539045 (E_RNA)
where:
Base-Base interactions energy: -204.978
where: short stacking energy: -96.384
Base-Backbone interact. energy: -1.216
local terms energy: -121.345007
where:
bonds (distance) C4'-P energy: -24.152
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -21.391
tors. eta vs tors. theta energy: -23.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -190.736451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.736451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.736451 (E_RNA)
where:
Base-Base interactions energy: -92.204
where: short stacking energy: -57.581
Base-Backbone interact. energy: -0.443
local terms energy: -98.089480
where:
bonds (distance) C4'-P energy: -32.722
bonds (distance) P-C4' energy: -31.762
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -161.459129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.459129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.459129 (E_RNA)
where:
Base-Base interactions energy: -60.091
where: short stacking energy: -50.279
Base-Backbone interact. energy: -0.773
local terms energy: -101.213286
where:
bonds (distance) C4'-P energy: -31.862
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -25.441
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: 2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.619 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -572.490469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.490469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.490469 (E_RNA)
where:
Base-Base interactions energy: -398.941
where: short stacking energy: -162.772
Base-Backbone interact. energy: -0.243
local terms energy: -173.306230
where:
bonds (distance) C4'-P energy: -30.473
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -35.023
flat angles P-C4'-P energy: -31.817
tors. eta vs tors. theta energy: -47.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -568.636959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.636959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.636959 (E_RNA)
where:
Base-Base interactions energy: -375.769
where: short stacking energy: -172.372
Base-Backbone interact. energy: -0.787
local terms energy: -192.080794
where:
bonds (distance) C4'-P energy: -30.163
bonds (distance) P-C4' energy: -38.886
flat angles C4'-P-C4' energy: -40.078
flat angles P-C4'-P energy: -27.349
tors. eta vs tors. theta energy: -55.605
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: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -541.883307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.883307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.883307 (E_RNA)
where:
Base-Base interactions energy: -373.244
where: short stacking energy: -160.080
Base-Backbone interact. energy: -0.096
local terms energy: -168.543127
where:
bonds (distance) C4'-P energy: -36.008
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -38.209
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -44.363
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: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -515.522596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.522596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.522596 (E_RNA)
where:
Base-Base interactions energy: -351.090
where: short stacking energy: -147.636
Base-Backbone interact. energy: -0.474
local terms energy: -163.958215
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -30.084
flat angles C4'-P-C4' energy: -36.405
flat angles P-C4'-P energy: -29.549
tors. eta vs tors. theta energy: -45.947
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: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -487.583914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.583914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.583914 (E_RNA)
where:
Base-Base interactions energy: -355.144
where: short stacking energy: -148.170
Base-Backbone interact. energy: -0.227
local terms energy: -132.835285
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -30.942
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -38.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.622 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -409.213224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.213224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.213224 (E_RNA)
where:
Base-Base interactions energy: -267.654
where: short stacking energy: -112.660
Base-Backbone interact. energy: -0.897
local terms energy: -140.662430
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -29.938
flat angles C4'-P-C4' energy: -38.236
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -29.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -336.068697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.068697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.068697 (E_RNA)
where:
Base-Base interactions energy: -210.102
where: short stacking energy: -99.618
Base-Backbone interact. energy: -1.246
local terms energy: -124.721146
where:
bonds (distance) C4'-P energy: -26.359
bonds (distance) P-C4' energy: -34.451
flat angles C4'-P-C4' energy: -30.793
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -293.632052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.632052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.632052 (E_RNA)
where:
Base-Base interactions energy: -173.754
where: short stacking energy: -92.713
Base-Backbone interact. energy: -0.326
local terms energy: -119.552357
where:
bonds (distance) C4'-P energy: -29.801
bonds (distance) P-C4' energy: -29.349
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -164.299294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.299294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.299294 (E_RNA)
where:
Base-Base interactions energy: -63.224
where: short stacking energy: -64.024
Base-Backbone interact. energy: -0.277
local terms energy: -101.314664
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -35.456
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.517 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -161.011006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.011006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.011006 (E_RNA)
where:
Base-Base interactions energy: -56.478
where: short stacking energy: -54.997
Base-Backbone interact. energy: -1.082
local terms energy: -103.450903
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -31.691
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -18.610
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: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -579.736252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.736252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.736252 (E_RNA)
where:
Base-Base interactions energy: -380.122
where: short stacking energy: -174.134
Base-Backbone interact. energy: -0.082
local terms energy: -199.532374
where:
bonds (distance) C4'-P energy: -35.032
bonds (distance) P-C4' energy: -38.125
flat angles C4'-P-C4' energy: -38.568
flat angles P-C4'-P energy: -31.782
tors. eta vs tors. theta energy: -56.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -545.696515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.696515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.696515 (E_RNA)
where:
Base-Base interactions energy: -373.435
where: short stacking energy: -160.098
Base-Backbone interact. energy: 0.846
local terms energy: -173.107646
where:
bonds (distance) C4'-P energy: -33.691
bonds (distance) P-C4' energy: -33.941
flat angles C4'-P-C4' energy: -35.776
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -47.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -534.963008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.963008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.963008 (E_RNA)
where:
Base-Base interactions energy: -372.535
where: short stacking energy: -158.333
Base-Backbone interact. energy: -0.695
local terms energy: -161.733022
where:
bonds (distance) C4'-P energy: -29.013
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -36.951
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -44.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -532.104341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.104341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.104341 (E_RNA)
where:
Base-Base interactions energy: -357.898
where: short stacking energy: -155.464
Base-Backbone interact. energy: -0.015
local terms energy: -174.191117
where:
bonds (distance) C4'-P energy: -38.673
bonds (distance) P-C4' energy: -36.759
flat angles C4'-P-C4' energy: -39.022
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -45.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -499.958733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.958733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.958733 (E_RNA)
where:
Base-Base interactions energy: -337.642
where: short stacking energy: -149.987
Base-Backbone interact. energy: -0.075
local terms energy: -162.242077
where:
bonds (distance) C4'-P energy: -31.703
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -24.634
tors. eta vs tors. theta energy: -44.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -434.384565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.384565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.384565 (E_RNA)
where:
Base-Base interactions energy: -289.487
where: short stacking energy: -127.803
Base-Backbone interact. energy: -1.780
local terms energy: -143.117225
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -29.462
flat angles C4'-P-C4' energy: -31.516
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -34.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -360.866026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.866026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.866026 (E_RNA)
where:
Base-Base interactions energy: -234.629
where: short stacking energy: -117.317
Base-Backbone interact. energy: 2.126
local terms energy: -128.362146
where:
bonds (distance) C4'-P energy: -31.800
bonds (distance) P-C4' energy: -25.936
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -27.931
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: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -302.834826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.834826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.834826 (E_RNA)
where:
Base-Base interactions energy: -179.174
where: short stacking energy: -96.741
Base-Backbone interact. energy: -0.217
local terms energy: -123.443845
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -27.428
flat angles C4'-P-C4' energy: -33.161
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -164.001913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.001913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.001913 (E_RNA)
where:
Base-Base interactions energy: -54.690
where: short stacking energy: -52.060
Base-Backbone interact. energy: -0.385
local terms energy: -110.156465
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -26.016
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -22.827
tors. eta vs tors. theta energy: -4.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.230 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -151.301286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.301286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.301286 (E_RNA)
where:
Base-Base interactions energy: -55.213
where: short stacking energy: -55.841
Base-Backbone interact. energy: 0.167
local terms energy: -96.953597
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -39.658
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -11.781
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: 0.698 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -575.310424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.310424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.310424 (E_RNA)
where:
Base-Base interactions energy: -378.910
where: short stacking energy: -177.513
Base-Backbone interact. energy: -0.571
local terms energy: -195.829592
where:
bonds (distance) C4'-P energy: -34.027
bonds (distance) P-C4' energy: -36.922
flat angles C4'-P-C4' energy: -40.499
flat angles P-C4'-P energy: -24.106
tors. eta vs tors. theta energy: -60.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -533.708729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.708729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.708729 (E_RNA)
where:
Base-Base interactions energy: -358.405
where: short stacking energy: -152.964
Base-Backbone interact. energy: -0.190
local terms energy: -175.469545
where:
bonds (distance) C4'-P energy: -34.531
bonds (distance) P-C4' energy: -38.401
flat angles C4'-P-C4' energy: -31.979
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -45.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.356 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -536.051463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.051463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.051463 (E_RNA)
where:
Base-Base interactions energy: -361.432
where: short stacking energy: -150.003
Base-Backbone interact. energy: -0.713
local terms energy: -173.905836
where:
bonds (distance) C4'-P energy: -33.517
bonds (distance) P-C4' energy: -39.105
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -45.365
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: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -524.722683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.722683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.722683 (E_RNA)
where:
Base-Base interactions energy: -356.983
where: short stacking energy: -148.190
Base-Backbone interact. energy: -0.684
local terms energy: -167.055488
where:
bonds (distance) C4'-P energy: -30.214
bonds (distance) P-C4' energy: -30.489
flat angles C4'-P-C4' energy: -34.865
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -47.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -500.157760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.157760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.157760 (E_RNA)
where:
Base-Base interactions energy: -348.941
where: short stacking energy: -142.114
Base-Backbone interact. energy: -0.693
local terms energy: -150.523919
where:
bonds (distance) C4'-P energy: -24.881
bonds (distance) P-C4' energy: -29.465
flat angles C4'-P-C4' energy: -32.187
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -44.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -446.260171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.260171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.260171 (E_RNA)
where:
Base-Base interactions energy: -296.657
where: short stacking energy: -135.197
Base-Backbone interact. energy: -0.947
local terms energy: -148.656833
where:
bonds (distance) C4'-P energy: -30.288
bonds (distance) P-C4' energy: -31.795
flat angles C4'-P-C4' energy: -28.283
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -34.356
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: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -389.572342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.572342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.572342 (E_RNA)
where:
Base-Base interactions energy: -269.949
where: short stacking energy: -131.511
Base-Backbone interact. energy: -0.116
local terms energy: -119.507648
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -35.682
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: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -315.832064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.832064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.832064 (E_RNA)
where:
Base-Base interactions energy: -197.914
where: short stacking energy: -92.026
Base-Backbone interact. energy: -0.324
local terms energy: -117.594382
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -171.168060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.168060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.168060 (E_RNA)
where:
Base-Base interactions energy: -73.614
where: short stacking energy: -49.979
Base-Backbone interact. energy: -0.129
local terms energy: -97.424852
where:
bonds (distance) C4'-P energy: -26.408
bonds (distance) P-C4' energy: -26.979
flat angles C4'-P-C4' energy: -29.159
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -148.541185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.541185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.541185 (E_RNA)
where:
Base-Base interactions energy: -45.838
where: short stacking energy: -44.363
Base-Backbone interact. energy: -0.277
local terms energy: -102.426107
where:
bonds (distance) C4'-P energy: -25.143
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -33.880
flat angles P-C4'-P energy: -20.076
tors. eta vs tors. theta energy: 2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -563.793087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.793087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.793087 (E_RNA)
where:
Base-Base interactions energy: -382.531
where: short stacking energy: -158.616
Base-Backbone interact. energy: -0.403
local terms energy: -180.858682
where:
bonds (distance) C4'-P energy: -32.095
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -37.559
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -48.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -519.969646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.969646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.969646 (E_RNA)
where:
Base-Base interactions energy: -344.121
where: short stacking energy: -135.446
Base-Backbone interact. energy: -2.306
local terms energy: -173.614902
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -31.935
flat angles C4'-P-C4' energy: -32.803
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -48.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.072 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -527.841641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.841641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.841641 (E_RNA)
where:
Base-Base interactions energy: -366.496
where: short stacking energy: -146.843
Base-Backbone interact. energy: -0.071
local terms energy: -161.275136
where:
bonds (distance) C4'-P energy: -35.343
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -37.572
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -38.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -511.297515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.297515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.297515 (E_RNA)
where:
Base-Base interactions energy: -347.719
where: short stacking energy: -155.815
Base-Backbone interact. energy: -0.655
local terms energy: -162.923540
where:
bonds (distance) C4'-P energy: -28.312
bonds (distance) P-C4' energy: -40.068
flat angles C4'-P-C4' energy: -32.182
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -46.766
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: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -472.187931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.187931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.187931 (E_RNA)
where:
Base-Base interactions energy: -321.054
where: short stacking energy: -133.865
Base-Backbone interact. energy: -0.209
local terms energy: -150.924323
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -31.246
flat angles C4'-P-C4' energy: -33.789
flat angles P-C4'-P energy: -25.845
tors. eta vs tors. theta energy: -27.752
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: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -427.632283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.632283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.632283 (E_RNA)
where:
Base-Base interactions energy: -279.366
where: short stacking energy: -121.872
Base-Backbone interact. energy: -0.296
local terms energy: -147.971113
where:
bonds (distance) C4'-P energy: -30.218
bonds (distance) P-C4' energy: -29.784
flat angles C4'-P-C4' energy: -32.555
flat angles P-C4'-P energy: -19.669
tors. eta vs tors. theta energy: -35.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -385.843100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.843100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.843100 (E_RNA)
where:
Base-Base interactions energy: -246.602
where: short stacking energy: -127.863
Base-Backbone interact. energy: -0.142
local terms energy: -139.099689
where:
bonds (distance) C4'-P energy: -28.771
bonds (distance) P-C4' energy: -26.120
flat angles C4'-P-C4' energy: -30.421
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -35.493
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: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -286.731890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.731890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.731890 (E_RNA)
where:
Base-Base interactions energy: -158.160
where: short stacking energy: -77.627
Base-Backbone interact. energy: -0.433
local terms energy: -128.138612
where:
bonds (distance) C4'-P energy: -32.830
bonds (distance) P-C4' energy: -29.161
flat angles C4'-P-C4' energy: -35.155
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -150.880406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.880406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.880406 (E_RNA)
where:
Base-Base interactions energy: -52.030
where: short stacking energy: -47.534
Base-Backbone interact. energy: -0.399
local terms energy: -98.451594
where:
bonds (distance) C4'-P energy: -27.035
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -26.273
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: 6.627
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: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -148.661489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.661489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.661489 (E_RNA)
where:
Base-Base interactions energy: -65.629
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.191
local terms energy: -83.061167
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -29.548
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.220 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -560.567382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.567382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.567382 (E_RNA)
where:
Base-Base interactions energy: -378.556
where: short stacking energy: -160.043
Base-Backbone interact. energy: 0.137
local terms energy: -182.147872
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -35.841
flat angles C4'-P-C4' energy: -40.014
flat angles P-C4'-P energy: -24.983
tors. eta vs tors. theta energy: -50.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -541.978756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.978756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.978756 (E_RNA)
where:
Base-Base interactions energy: -365.188
where: short stacking energy: -155.562
Base-Backbone interact. energy: 0.088
local terms energy: -176.878772
where:
bonds (distance) C4'-P energy: -30.918
bonds (distance) P-C4' energy: -36.847
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -44.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -502.652789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.652789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.652789 (E_RNA)
where:
Base-Base interactions energy: -349.717
where: short stacking energy: -139.141
Base-Backbone interact. energy: -0.915
local terms energy: -152.544746
where:
bonds (distance) C4'-P energy: -32.791
bonds (distance) P-C4' energy: -28.196
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -24.382
tors. eta vs tors. theta energy: -38.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.525 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -538.980980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.980980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.980980 (E_RNA)
where:
Base-Base interactions energy: -361.827
where: short stacking energy: -169.240
Base-Backbone interact. energy: -0.484
local terms energy: -176.670173
where:
bonds (distance) C4'-P energy: -26.040
bonds (distance) P-C4' energy: -35.359
flat angles C4'-P-C4' energy: -41.939
flat angles P-C4'-P energy: -20.368
tors. eta vs tors. theta energy: -52.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -465.097676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.097676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.097676 (E_RNA)
where:
Base-Base interactions energy: -323.158
where: short stacking energy: -132.305
Base-Backbone interact. energy: -0.319
local terms energy: -141.621393
where:
bonds (distance) C4'-P energy: -29.544
bonds (distance) P-C4' energy: -35.788
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -30.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -437.694245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.694245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.694245 (E_RNA)
where:
Base-Base interactions energy: -291.493
where: short stacking energy: -121.330
Base-Backbone interact. energy: 0.900
local terms energy: -147.101118
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -37.949
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -29.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -335.230580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.230580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.230580 (E_RNA)
where:
Base-Base interactions energy: -214.145
where: short stacking energy: -92.419
Base-Backbone interact. energy: -0.881
local terms energy: -120.204576
where:
bonds (distance) C4'-P energy: -23.908
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -32.191
flat angles P-C4'-P energy: -18.915
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -293.820284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.820284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.820284 (E_RNA)
where:
Base-Base interactions energy: -167.928
where: short stacking energy: -89.677
Base-Backbone interact. energy: -0.173
local terms energy: -126.914944
where:
bonds (distance) C4'-P energy: -30.333
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: -16.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.196 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -159.080700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.080700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.080700 (E_RNA)
where:
Base-Base interactions energy: -57.422
where: short stacking energy: -49.073
Base-Backbone interact. energy: 0.087
local terms energy: -101.745851
where:
bonds (distance) C4'-P energy: -33.133
bonds (distance) P-C4' energy: -32.115
flat angles C4'-P-C4' energy: -20.252
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -161.510984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.510984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.510984 (E_RNA)
where:
Base-Base interactions energy: -58.680
where: short stacking energy: -54.940
Base-Backbone interact. energy: 1.382
local terms energy: -106.699690
where:
bonds (distance) C4'-P energy: -31.266
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.487 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -565.786716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.786716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.786716 (E_RNA)
where:
Base-Base interactions energy: -387.025
where: short stacking energy: -169.147
Base-Backbone interact. energy: -1.028
local terms energy: -177.733076
where:
bonds (distance) C4'-P energy: -36.780
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -36.188
flat angles P-C4'-P energy: -25.395
tors. eta vs tors. theta energy: -44.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -548.002138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.002138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.002138 (E_RNA)
where:
Base-Base interactions energy: -375.107
where: short stacking energy: -156.844
Base-Backbone interact. energy: -0.187
local terms energy: -174.598175
where:
bonds (distance) C4'-P energy: -36.252
bonds (distance) P-C4' energy: -29.390
flat angles C4'-P-C4' energy: -37.001
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -46.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.891 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -517.348871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.348871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.348871 (E_RNA)
where:
Base-Base interactions energy: -344.439
where: short stacking energy: -141.217
Base-Backbone interact. energy: -1.107
local terms energy: -171.802007
where:
bonds (distance) C4'-P energy: -37.894
bonds (distance) P-C4' energy: -25.582
flat angles C4'-P-C4' energy: -31.826
flat angles P-C4'-P energy: -30.193
tors. eta vs tors. theta energy: -46.307
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: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -503.544420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.544420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.544420 (E_RNA)
where:
Base-Base interactions energy: -336.290
where: short stacking energy: -142.306
Base-Backbone interact. energy: -0.287
local terms energy: -166.967498
where:
bonds (distance) C4'-P energy: -32.466
bonds (distance) P-C4' energy: -32.498
flat angles C4'-P-C4' energy: -33.980
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -40.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -448.720825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.720825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.720825 (E_RNA)
where:
Base-Base interactions energy: -296.919
where: short stacking energy: -133.139
Base-Backbone interact. energy: -0.078
local terms energy: -152.269554
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -35.330
flat angles C4'-P-C4' energy: -32.702
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -33.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.546 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -469.581834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.581834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.581834 (E_RNA)
where:
Base-Base interactions energy: -307.802
where: short stacking energy: -124.161
Base-Backbone interact. energy: -0.211
local terms energy: -161.568985
where:
bonds (distance) C4'-P energy: -33.798
bonds (distance) P-C4' energy: -31.310
flat angles C4'-P-C4' energy: -38.073
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -33.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -374.932036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.932036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.932036 (E_RNA)
where:
Base-Base interactions energy: -237.606
where: short stacking energy: -117.404
Base-Backbone interact. energy: 0.288
local terms energy: -137.614414
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -32.229
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -35.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -333.215438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.215438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.215438 (E_RNA)
where:
Base-Base interactions energy: -205.725
where: short stacking energy: -101.420
Base-Backbone interact. energy: -1.585
local terms energy: -125.905721
where:
bonds (distance) C4'-P energy: -36.441
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -30.701
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -160.616034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.616034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.616034 (E_RNA)
where:
Base-Base interactions energy: -47.589
where: short stacking energy: -38.307
Base-Backbone interact. energy: 0.217
local terms energy: -113.244458
where:
bonds (distance) C4'-P energy: -31.349
bonds (distance) P-C4' energy: -35.017
flat angles C4'-P-C4' energy: -32.224
flat angles P-C4'-P energy: -15.840
tors. eta vs tors. theta energy: 1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -144.530535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.530535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.530535 (E_RNA)
where:
Base-Base interactions energy: -60.000
where: short stacking energy: -55.749
Base-Backbone interact. energy: -0.403
local terms energy: -84.127516
where:
bonds (distance) C4'-P energy: -26.882
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -19.749
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -6.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -548.235470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.235470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.235470 (E_RNA)
where:
Base-Base interactions energy: -373.751
where: short stacking energy: -149.743
Base-Backbone interact. energy: -0.977
local terms energy: -173.507021
where:
bonds (distance) C4'-P energy: -37.191
bonds (distance) P-C4' energy: -33.448
flat angles C4'-P-C4' energy: -38.634
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: -43.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -560.141373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.141373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.141373 (E_RNA)
where:
Base-Base interactions energy: -381.224
where: short stacking energy: -163.122
Base-Backbone interact. energy: -0.302
local terms energy: -178.775125
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -34.982
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -53.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.161 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -512.896654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.896654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.896654 (E_RNA)
where:
Base-Base interactions energy: -360.217
where: short stacking energy: -150.576
Base-Backbone interact. energy: -0.788
local terms energy: -151.892069
where:
bonds (distance) C4'-P energy: -25.934
bonds (distance) P-C4' energy: -28.382
flat angles C4'-P-C4' energy: -34.594
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -511.855203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.855203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.855203 (E_RNA)
where:
Base-Base interactions energy: -343.276
where: short stacking energy: -152.303
Base-Backbone interact. energy: -0.039
local terms energy: -168.540110
where:
bonds (distance) C4'-P energy: -34.678
bonds (distance) P-C4' energy: -30.181
flat angles C4'-P-C4' energy: -37.209
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: -46.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -466.385377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.385377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.385377 (E_RNA)
where:
Base-Base interactions energy: -311.520
where: short stacking energy: -135.265
Base-Backbone interact. energy: -0.582
local terms energy: -154.283678
where:
bonds (distance) C4'-P energy: -33.010
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -36.150
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -36.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -480.191498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.191498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.191498 (E_RNA)
where:
Base-Base interactions energy: -330.815
where: short stacking energy: -126.083
Base-Backbone interact. energy: -0.301
local terms energy: -149.075526
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -35.950
flat angles C4'-P-C4' energy: -33.982
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -36.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -315.625535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.625535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.625535 (E_RNA)
where:
Base-Base interactions energy: -200.265
where: short stacking energy: -77.323
Base-Backbone interact. energy: -0.216
local terms energy: -115.144205
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -29.907
flat angles C4'-P-C4' energy: -32.929
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -16.692
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: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -296.132571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.132571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.132571 (E_RNA)
where:
Base-Base interactions energy: -160.681
where: short stacking energy: -77.518
Base-Backbone interact. energy: -0.463
local terms energy: -134.988901
where:
bonds (distance) C4'-P energy: -26.840
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -28.851
flat angles P-C4'-P energy: -22.513
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -159.134461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.134461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.134461 (E_RNA)
where:
Base-Base interactions energy: -57.779
where: short stacking energy: -51.761
Base-Backbone interact. energy: -1.241
local terms energy: -100.114591
where:
bonds (distance) C4'-P energy: -21.961
bonds (distance) P-C4' energy: -32.743
flat angles C4'-P-C4' energy: -34.291
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: 1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -147.098329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.098329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.098329 (E_RNA)
where:
Base-Base interactions energy: -45.989
where: short stacking energy: -36.781
Base-Backbone interact. energy: -0.696
local terms energy: -100.413895
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -556.533287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.533287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.533287 (E_RNA)
where:
Base-Base interactions energy: -384.456
where: short stacking energy: -163.663
Base-Backbone interact. energy: 0.204
local terms energy: -172.803935
where:
bonds (distance) C4'-P energy: -31.843
bonds (distance) P-C4' energy: -28.910
flat angles C4'-P-C4' energy: -34.122
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -53.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.522 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -534.769036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.769036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.769036 (E_RNA)
where:
Base-Base interactions energy: -359.522
where: short stacking energy: -144.721
Base-Backbone interact. energy: -0.320
local terms energy: -174.926846
where:
bonds (distance) C4'-P energy: -39.518
bonds (distance) P-C4' energy: -40.406
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -43.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -534.130024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.130024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.130024 (E_RNA)
where:
Base-Base interactions energy: -366.352
where: short stacking energy: -157.586
Base-Backbone interact. energy: -0.051
local terms energy: -167.726704
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -38.104
flat angles P-C4'-P energy: -24.395
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: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -504.685835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.685835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.685835 (E_RNA)
where:
Base-Base interactions energy: -338.646
where: short stacking energy: -130.394
Base-Backbone interact. energy: -1.859
local terms energy: -164.180867
where:
bonds (distance) C4'-P energy: -33.035
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -25.394
tors. eta vs tors. theta energy: -44.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -512.208523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.208523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.208523 (E_RNA)
where:
Base-Base interactions energy: -355.471
where: short stacking energy: -152.528
Base-Backbone interact. energy: -0.748
local terms energy: -155.989782
where:
bonds (distance) C4'-P energy: -32.831
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: -46.527
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: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -435.005719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.005719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.005719 (E_RNA)
where:
Base-Base interactions energy: -299.337
where: short stacking energy: -132.030
Base-Backbone interact. energy: -1.661
local terms energy: -134.007771
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -31.012
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -28.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -298.324546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.324546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.324546 (E_RNA)
where:
Base-Base interactions energy: -187.151
where: short stacking energy: -91.957
Base-Backbone interact. energy: 1.432
local terms energy: -112.922830
where:
bonds (distance) C4'-P energy: -26.383
bonds (distance) P-C4' energy: -31.477
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.317 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -326.806438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.806438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.806438 (E_RNA)
where:
Base-Base interactions energy: -200.925
where: short stacking energy: -84.301
Base-Backbone interact. energy: -0.268
local terms energy: -125.613469
where:
bonds (distance) C4'-P energy: -22.674
bonds (distance) P-C4' energy: -35.882
flat angles C4'-P-C4' energy: -33.398
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -176.056384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.056384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.056384 (E_RNA)
where:
Base-Base interactions energy: -85.519
where: short stacking energy: -46.336
Base-Backbone interact. energy: 0.909
local terms energy: -91.447012
where:
bonds (distance) C4'-P energy: -25.841
bonds (distance) P-C4' energy: -31.678
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: 5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -148.520328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.520328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.520328 (E_RNA)
where:
Base-Base interactions energy: -51.108
where: short stacking energy: -39.938
Base-Backbone interact. energy: 0.521
local terms energy: -97.932627
where:
bonds (distance) C4'-P energy: -24.194
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -28.931
flat angles P-C4'-P energy: -14.451
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: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -565.827747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.827747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.827747 (E_RNA)
where:
Base-Base interactions energy: -383.177
where: short stacking energy: -176.046
Base-Backbone interact. energy: -0.289
local terms energy: -183.060766
where:
bonds (distance) C4'-P energy: -35.756
bonds (distance) P-C4' energy: -40.181
flat angles C4'-P-C4' energy: -35.187
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -53.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.700 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -540.661818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.661818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.661818 (E_RNA)
where:
Base-Base interactions energy: -374.843
where: short stacking energy: -169.195
Base-Backbone interact. energy: 0.386
local terms energy: -166.204746
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -30.014
flat angles C4'-P-C4' energy: -38.207
flat angles P-C4'-P energy: -25.096
tors. eta vs tors. theta energy: -44.838
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: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -534.247198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.247198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.247198 (E_RNA)
where:
Base-Base interactions energy: -368.290
where: short stacking energy: -151.890
Base-Backbone interact. energy: -0.417
local terms energy: -165.539757
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -36.100
flat angles C4'-P-C4' energy: -35.511
flat angles P-C4'-P energy: -21.409
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: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -528.871288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.871288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.871288 (E_RNA)
where:
Base-Base interactions energy: -364.592
where: short stacking energy: -140.907
Base-Backbone interact. energy: -0.383
local terms energy: -163.896694
where:
bonds (distance) C4'-P energy: -22.314
bonds (distance) P-C4' energy: -35.409
flat angles C4'-P-C4' energy: -35.765
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: -41.097
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: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -509.926481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.926481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.926481 (E_RNA)
where:
Base-Base interactions energy: -348.749
where: short stacking energy: -151.634
Base-Backbone interact. energy: 0.094
local terms energy: -161.748883
where:
bonds (distance) C4'-P energy: -34.818
bonds (distance) P-C4' energy: -35.316
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -44.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.477 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -440.310783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.310783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.310783 (E_RNA)
where:
Base-Base interactions energy: -274.972
where: short stacking energy: -122.825
Base-Backbone interact. energy: -0.404
local terms energy: -164.935494
where:
bonds (distance) C4'-P energy: -30.260
bonds (distance) P-C4' energy: -34.173
flat angles C4'-P-C4' energy: -40.027
flat angles P-C4'-P energy: -20.625
tors. eta vs tors. theta energy: -39.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -289.009627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.009627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.009627 (E_RNA)
where:
Base-Base interactions energy: -161.142
where: short stacking energy: -86.494
Base-Backbone interact. energy: -0.615
local terms energy: -127.252489
where:
bonds (distance) C4'-P energy: -32.554
bonds (distance) P-C4' energy: -31.140
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -306.216282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.216282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.216282 (E_RNA)
where:
Base-Base interactions energy: -204.372
where: short stacking energy: -82.101
Base-Backbone interact. energy: -1.577
local terms energy: -100.267866
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -28.106
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -160.005294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.005294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.005294 (E_RNA)
where:
Base-Base interactions energy: -59.011
where: short stacking energy: -59.011
Base-Backbone interact. energy: -1.039
local terms energy: -99.954747
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -31.916
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -155.329908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.329908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.329908 (E_RNA)
where:
Base-Base interactions energy: -57.776
where: short stacking energy: -29.104
Base-Backbone interact. energy: 2.362
local terms energy: -99.916183
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -28.065
flat angles C4'-P-C4' energy: -29.367
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -558.340549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.340549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.340549 (E_RNA)
where:
Base-Base interactions energy: -380.975
where: short stacking energy: -162.286
Base-Backbone interact. energy: -0.314
local terms energy: -177.052140
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -36.191
flat angles C4'-P-C4' energy: -33.925
flat angles P-C4'-P energy: -25.591
tors. eta vs tors. theta energy: -48.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -557.453824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.453824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.453824 (E_RNA)
where:
Base-Base interactions energy: -380.463
where: short stacking energy: -163.370
Base-Backbone interact. energy: 2.381
local terms energy: -179.372016
where:
bonds (distance) C4'-P energy: -33.297
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -53.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -544.679909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.679909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.679909 (E_RNA)
where:
Base-Base interactions energy: -376.322
where: short stacking energy: -153.479
Base-Backbone interact. energy: -0.440
local terms energy: -167.917545
where:
bonds (distance) C4'-P energy: -34.309
bonds (distance) P-C4' energy: -34.262
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -46.150
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: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -522.939384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.939384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.939384 (E_RNA)
where:
Base-Base interactions energy: -361.373
where: short stacking energy: -143.804
Base-Backbone interact. energy: 2.087
local terms energy: -163.654083
where:
bonds (distance) C4'-P energy: -34.447
bonds (distance) P-C4' energy: -33.771
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -23.661
tors. eta vs tors. theta energy: -41.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -488.888957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.888957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.888957 (E_RNA)
where:
Base-Base interactions energy: -342.831
where: short stacking energy: -145.475
Base-Backbone interact. energy: -0.152
local terms energy: -145.906106
where:
bonds (distance) C4'-P energy: -26.521
bonds (distance) P-C4' energy: -31.242
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -44.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -460.826595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.826595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.826595 (E_RNA)
where:
Base-Base interactions energy: -307.353
where: short stacking energy: -131.339
Base-Backbone interact. energy: -0.485
local terms energy: -152.988546
where:
bonds (distance) C4'-P energy: -22.450
bonds (distance) P-C4' energy: -31.581
flat angles C4'-P-C4' energy: -35.283
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -40.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -311.926744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.926744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.926744 (E_RNA)
where:
Base-Base interactions energy: -187.781
where: short stacking energy: -86.885
Base-Backbone interact. energy: 0.246
local terms energy: -124.391983
where:
bonds (distance) C4'-P energy: -29.313
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -25.120
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -313.751998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.751998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.751998 (E_RNA)
where:
Base-Base interactions energy: -186.186
where: short stacking energy: -87.330
Base-Backbone interact. energy: -0.967
local terms energy: -126.598956
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -25.015
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: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -161.009479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.009479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.009479 (E_RNA)
where:
Base-Base interactions energy: -69.367
where: short stacking energy: -33.601
Base-Backbone interact. energy: -0.093
local terms energy: -91.548747
where:
bonds (distance) C4'-P energy: -26.407
bonds (distance) P-C4' energy: -27.105
flat angles C4'-P-C4' energy: -31.440
flat angles P-C4'-P energy: -12.073
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: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -144.797964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.797964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.797964 (E_RNA)
where:
Base-Base interactions energy: -44.895
where: short stacking energy: -37.458
Base-Backbone interact. energy: -0.581
local terms energy: -99.321523
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -33.015
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -15.988
tors. eta vs tors. theta energy: 6.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -562.711949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.711949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.711949 (E_RNA)
where:
Base-Base interactions energy: -394.484
where: short stacking energy: -162.612
Base-Backbone interact. energy: -0.486
local terms energy: -167.742089
where:
bonds (distance) C4'-P energy: -35.020
bonds (distance) P-C4' energy: -32.537
flat angles C4'-P-C4' energy: -34.967
flat angles P-C4'-P energy: -20.519
tors. eta vs tors. theta energy: -44.699
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: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -563.438661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.438661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.438661 (E_RNA)
where:
Base-Base interactions energy: -372.336
where: short stacking energy: -166.262
Base-Backbone interact. energy: -0.861
local terms energy: -190.943387
where:
bonds (distance) C4'-P energy: -34.016
bonds (distance) P-C4' energy: -33.745
flat angles C4'-P-C4' energy: -37.890
flat angles P-C4'-P energy: -30.814
tors. eta vs tors. theta energy: -54.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.702 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -534.005253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.005253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.005253 (E_RNA)
where:
Base-Base interactions energy: -369.939
where: short stacking energy: -152.908
Base-Backbone interact. energy: -1.211
local terms energy: -162.855172
where:
bonds (distance) C4'-P energy: -28.066
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -31.773
flat angles P-C4'-P energy: -24.051
tors. eta vs tors. theta energy: -47.009
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: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -495.489710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.489710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.489710 (E_RNA)
where:
Base-Base interactions energy: -325.998
where: short stacking energy: -144.236
Base-Backbone interact. energy: -0.320
local terms energy: -170.269140
where:
bonds (distance) C4'-P energy: -28.924
bonds (distance) P-C4' energy: -34.795
flat angles C4'-P-C4' energy: -35.957
flat angles P-C4'-P energy: -25.582
tors. eta vs tors. theta energy: -45.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.098 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -496.329676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.329676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.329676 (E_RNA)
where:
Base-Base interactions energy: -340.843
where: short stacking energy: -136.652
Base-Backbone interact. energy: -0.179
local terms energy: -155.308092
where:
bonds (distance) C4'-P energy: -32.712
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -33.583
flat angles P-C4'-P energy: -26.904
tors. eta vs tors. theta energy: -35.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -452.701660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.701660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.701660 (E_RNA)
where:
Base-Base interactions energy: -307.511
where: short stacking energy: -139.060
Base-Backbone interact. energy: -0.271
local terms energy: -144.919200
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -28.904
flat angles C4'-P-C4' energy: -32.788
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -35.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -346.378223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.378223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.378223 (E_RNA)
where:
Base-Base interactions energy: -206.233
where: short stacking energy: -99.498
Base-Backbone interact. energy: 1.203
local terms energy: -141.349019
where:
bonds (distance) C4'-P energy: -30.735
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -34.443
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -29.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -304.613416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.613416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.613416 (E_RNA)
where:
Base-Base interactions energy: -191.240
where: short stacking energy: -83.621
Base-Backbone interact. energy: 0.714
local terms energy: -114.087135
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -13.931
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: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -231.166610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.166610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.166610 (E_RNA)
where:
Base-Base interactions energy: -120.475
where: short stacking energy: -48.444
Base-Backbone interact. energy: 0.781
local terms energy: -111.472448
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -33.664
flat angles C4'-P-C4' energy: -23.621
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -150.695683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.695683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.695683 (E_RNA)
where:
Base-Base interactions energy: -56.271
where: short stacking energy: -51.010
Base-Backbone interact. energy: 0.498
local terms energy: -94.922779
where:
bonds (distance) C4'-P energy: -30.227
bonds (distance) P-C4' energy: -22.752
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -567.774076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.774076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.774076 (E_RNA)
where:
Base-Base interactions energy: -382.461
where: short stacking energy: -153.694
Base-Backbone interact. energy: 0.594
local terms energy: -185.907165
where:
bonds (distance) C4'-P energy: -36.366
bonds (distance) P-C4' energy: -34.454
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -32.804
tors. eta vs tors. theta energy: -42.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -558.384497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.384497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.384497 (E_RNA)
where:
Base-Base interactions energy: -387.764
where: short stacking energy: -171.910
Base-Backbone interact. energy: 0.261
local terms energy: -170.881970
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -33.399
flat angles C4'-P-C4' energy: -38.564
flat angles P-C4'-P energy: -24.990
tors. eta vs tors. theta energy: -47.217
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: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -533.219776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.219776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.219776 (E_RNA)
where:
Base-Base interactions energy: -357.656
where: short stacking energy: -146.670
Base-Backbone interact. energy: -0.634
local terms energy: -174.930485
where:
bonds (distance) C4'-P energy: -34.738
bonds (distance) P-C4' energy: -35.063
flat angles C4'-P-C4' energy: -36.075
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -47.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -487.587798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.587798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.587798 (E_RNA)
where:
Base-Base interactions energy: -326.186
where: short stacking energy: -157.873
Base-Backbone interact. energy: -0.064
local terms energy: -161.516118
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -26.609
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -19.990
tors. eta vs tors. theta energy: -48.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.178 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -527.124194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.124194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.124194 (E_RNA)
where:
Base-Base interactions energy: -355.495
where: short stacking energy: -147.433
Base-Backbone interact. energy: 0.117
local terms energy: -172.066523
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -33.684
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -46.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.320 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -441.959926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.959926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.959926 (E_RNA)
where:
Base-Base interactions energy: -300.610
where: short stacking energy: -120.581
Base-Backbone interact. energy: -0.410
local terms energy: -140.940413
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -35.115
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -32.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -329.168962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.168962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.168962 (E_RNA)
where:
Base-Base interactions energy: -193.335
where: short stacking energy: -79.754
Base-Backbone interact. energy: 0.133
local terms energy: -135.966669
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -34.663
flat angles C4'-P-C4' energy: -28.969
flat angles P-C4'-P energy: -27.211
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -294.371284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.371284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.371284 (E_RNA)
where:
Base-Base interactions energy: -174.712
where: short stacking energy: -74.245
Base-Backbone interact. energy: -0.144
local terms energy: -119.937766
where:
bonds (distance) C4'-P energy: -25.635
bonds (distance) P-C4' energy: -32.440
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -25.373
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.423 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -159.778123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.778123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.778123 (E_RNA)
where:
Base-Base interactions energy: -44.468
where: short stacking energy: -38.160
Base-Backbone interact. energy: 0.811
local terms energy: -116.120925
where:
bonds (distance) C4'-P energy: -32.734
bonds (distance) P-C4' energy: -34.912
flat angles C4'-P-C4' energy: -29.575
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -1.491
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: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -280.565608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.565608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.565608 (E_RNA)
where:
Base-Base interactions energy: -185.451
where: short stacking energy: -82.076
Base-Backbone interact. energy: -0.544
local terms energy: -94.570842
where:
bonds (distance) C4'-P energy: -25.434
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -9.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -573.833084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.833084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.833084 (E_RNA)
where:
Base-Base interactions energy: -395.097
where: short stacking energy: -174.508
Base-Backbone interact. energy: -0.202
local terms energy: -178.534075
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -31.404
flat angles C4'-P-C4' energy: -35.391
flat angles P-C4'-P energy: -24.613
tors. eta vs tors. theta energy: -52.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -541.961397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.961397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.961397 (E_RNA)
where:
Base-Base interactions energy: -368.256
where: short stacking energy: -150.337
Base-Backbone interact. energy: -0.140
local terms energy: -173.565563
where:
bonds (distance) C4'-P energy: -32.566
bonds (distance) P-C4' energy: -36.077
flat angles C4'-P-C4' energy: -39.705
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -44.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -539.305776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.305776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.305776 (E_RNA)
where:
Base-Base interactions energy: -373.565
where: short stacking energy: -152.319
Base-Backbone interact. energy: -0.144
local terms energy: -165.596956
where:
bonds (distance) C4'-P energy: -31.674
bonds (distance) P-C4' energy: -26.538
flat angles C4'-P-C4' energy: -35.223
flat angles P-C4'-P energy: -22.186
tors. eta vs tors. theta energy: -49.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -518.499930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.499930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.499930 (E_RNA)
where:
Base-Base interactions energy: -366.043
where: short stacking energy: -147.991
Base-Backbone interact. energy: -0.248
local terms energy: -152.209478
where:
bonds (distance) C4'-P energy: -30.512
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -38.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -473.265866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.265866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.265866 (E_RNA)
where:
Base-Base interactions energy: -319.889
where: short stacking energy: -122.521
Base-Backbone interact. energy: -0.594
local terms energy: -152.783301
where:
bonds (distance) C4'-P energy: -29.311
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -29.525
flat angles P-C4'-P energy: -26.744
tors. eta vs tors. theta energy: -41.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -418.774238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.774238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.774238 (E_RNA)
where:
Base-Base interactions energy: -274.036
where: short stacking energy: -122.503
Base-Backbone interact. energy: -0.087
local terms energy: -144.652122
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -28.421
flat angles P-C4'-P energy: -24.661
tors. eta vs tors. theta energy: -28.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -335.991490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.991490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.991490 (E_RNA)
where:
Base-Base interactions energy: -205.235
where: short stacking energy: -91.382
Base-Backbone interact. energy: -0.877
local terms energy: -129.879222
where:
bonds (distance) C4'-P energy: -28.937
bonds (distance) P-C4' energy: -28.226
flat angles C4'-P-C4' energy: -33.777
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -311.447274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.447274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.447274 (E_RNA)
where:
Base-Base interactions energy: -190.595
where: short stacking energy: -104.095
Base-Backbone interact. energy: -0.268
local terms energy: -120.585107
where:
bonds (distance) C4'-P energy: -26.173
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -34.631
flat angles P-C4'-P energy: -18.824
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -158.702054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.702054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.702054 (E_RNA)
where:
Base-Base interactions energy: -43.610
where: short stacking energy: -41.308
Base-Backbone interact. energy: 0.953
local terms energy: -116.044458
where:
bonds (distance) C4'-P energy: -30.902
bonds (distance) P-C4' energy: -37.229
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -8.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -250.440536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.440536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.440536 (E_RNA)
where:
Base-Base interactions energy: -158.099
where: short stacking energy: -84.810
Base-Backbone interact. energy: -1.486
local terms energy: -90.855737
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -27.454
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -580.862036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.862036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.862036 (E_RNA)
where:
Base-Base interactions energy: -403.333
where: short stacking energy: -166.210
Base-Backbone interact. energy: -0.728
local terms energy: -176.801633
where:
bonds (distance) C4'-P energy: -30.950
bonds (distance) P-C4' energy: -36.598
flat angles C4'-P-C4' energy: -35.930
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -57.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -538.966265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.966265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.966265 (E_RNA)
where:
Base-Base interactions energy: -369.820
where: short stacking energy: -149.555
Base-Backbone interact. energy: -0.331
local terms energy: -168.815650
where:
bonds (distance) C4'-P energy: -31.844
bonds (distance) P-C4' energy: -38.908
flat angles C4'-P-C4' energy: -33.108
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -44.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -530.813737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.813737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.813737 (E_RNA)
where:
Base-Base interactions energy: -367.799
where: short stacking energy: -154.455
Base-Backbone interact. energy: -0.321
local terms energy: -162.693656
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -35.505
flat angles P-C4'-P energy: -24.742
tors. eta vs tors. theta energy: -41.693
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: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -520.144129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.144129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.144129 (E_RNA)
where:
Base-Base interactions energy: -351.031
where: short stacking energy: -152.918
Base-Backbone interact. energy: -0.118
local terms energy: -168.995315
where:
bonds (distance) C4'-P energy: -31.035
bonds (distance) P-C4' energy: -36.049
flat angles C4'-P-C4' energy: -36.638
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -49.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -487.918359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.918359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.918359 (E_RNA)
where:
Base-Base interactions energy: -331.371
where: short stacking energy: -129.659
Base-Backbone interact. energy: -1.514
local terms energy: -155.583097
where:
bonds (distance) C4'-P energy: -31.231
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -34.675
flat angles P-C4'-P energy: -23.111
tors. eta vs tors. theta energy: -39.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.550 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -431.185987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.185987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.185987 (E_RNA)
where:
Base-Base interactions energy: -283.757
where: short stacking energy: -133.832
Base-Backbone interact. energy: 1.225
local terms energy: -148.654099
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -33.555
flat angles C4'-P-C4' energy: -36.626
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -354.595357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.595357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.595357 (E_RNA)
where:
Base-Base interactions energy: -214.212
where: short stacking energy: -103.670
Base-Backbone interact. energy: -0.201
local terms energy: -140.182130
where:
bonds (distance) C4'-P energy: -29.803
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -23.234
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: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -305.098319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.098319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.098319 (E_RNA)
where:
Base-Base interactions energy: -189.235
where: short stacking energy: -99.781
Base-Backbone interact. energy: -0.891
local terms energy: -114.972272
where:
bonds (distance) C4'-P energy: -31.634
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -257.899453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.899453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.899453 (E_RNA)
where:
Base-Base interactions energy: -135.974
where: short stacking energy: -81.829
Base-Backbone interact. energy: -0.621
local terms energy: -121.304352
where:
bonds (distance) C4'-P energy: -25.722
bonds (distance) P-C4' energy: -30.645
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -29.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -143.892234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.892234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.892234 (E_RNA)
where:
Base-Base interactions energy: -53.702
where: short stacking energy: -52.094
Base-Backbone interact. energy: -0.599
local terms energy: -89.591172
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -28.610
flat angles C4'-P-C4' energy: -25.344
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: 6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -565.801944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.801944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.801944 (E_RNA)
where:
Base-Base interactions energy: -385.921
where: short stacking energy: -164.131
Base-Backbone interact. energy: -0.237
local terms energy: -179.643429
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -31.996
flat angles C4'-P-C4' energy: -38.612
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -54.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -552.738616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.738616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.738616 (E_RNA)
where:
Base-Base interactions energy: -373.550
where: short stacking energy: -164.142
Base-Backbone interact. energy: -0.148
local terms energy: -179.040379
where:
bonds (distance) C4'-P energy: -31.729
bonds (distance) P-C4' energy: -38.314
flat angles C4'-P-C4' energy: -36.457
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -51.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -518.606216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.606216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.606216 (E_RNA)
where:
Base-Base interactions energy: -361.792
where: short stacking energy: -147.021
Base-Backbone interact. energy: -1.459
local terms energy: -155.355070
where:
bonds (distance) C4'-P energy: -32.474
bonds (distance) P-C4' energy: -29.060
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -36.716
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: 299
Temperature: 1.050000
Total energy: -552.684159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.684159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.684159 (E_RNA)
where:
Base-Base interactions energy: -380.892
where: short stacking energy: -153.274
Base-Backbone interact. energy: -0.100
local terms energy: -171.692591
where:
bonds (distance) C4'-P energy: -34.328
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -33.564
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -48.391
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: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -480.148064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.148064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.148064 (E_RNA)
where:
Base-Base interactions energy: -311.645
where: short stacking energy: -122.902
Base-Backbone interact. energy: -1.264
local terms energy: -167.495727
where:
bonds (distance) C4'-P energy: -29.891
bonds (distance) P-C4' energy: -36.446
flat angles C4'-P-C4' energy: -38.484
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -39.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.257 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -415.429671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.429671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.429671 (E_RNA)
where:
Base-Base interactions energy: -262.799
where: short stacking energy: -119.645
Base-Backbone interact. energy: 0.340
local terms energy: -152.970100
where:
bonds (distance) C4'-P energy: -29.757
bonds (distance) P-C4' energy: -30.925
flat angles C4'-P-C4' energy: -33.028
flat angles P-C4'-P energy: -23.025
tors. eta vs tors. theta energy: -36.235
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: 299
Temperature: 1.200000
Total energy: -345.549455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.549455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.549455 (E_RNA)
where:
Base-Base interactions energy: -220.155
where: short stacking energy: -107.728
Base-Backbone interact. energy: -0.337
local terms energy: -125.056884
where:
bonds (distance) C4'-P energy: -24.315
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -20.064
tors. eta vs tors. theta energy: -25.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -326.252449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.252449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.252449 (E_RNA)
where:
Base-Base interactions energy: -197.178
where: short stacking energy: -95.238
Base-Backbone interact. energy: -0.409
local terms energy: -128.665760
where:
bonds (distance) C4'-P energy: -28.040
bonds (distance) P-C4' energy: -37.598
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -18.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -251.338354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.338354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.338354 (E_RNA)
where:
Base-Base interactions energy: -137.789
where: short stacking energy: -73.813
Base-Backbone interact. energy: -0.737
local terms energy: -112.811959
where:
bonds (distance) C4'-P energy: -27.036
bonds (distance) P-C4' energy: -33.610
flat angles C4'-P-C4' energy: -24.781
flat angles P-C4'-P energy: -18.283
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -151.358986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.358986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.358986 (E_RNA)
where:
Base-Base interactions energy: -46.649
where: short stacking energy: -37.551
Base-Backbone interact. energy: -0.030
local terms energy: -104.680866
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -23.875
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: 5.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -581.383384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.383384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.383384 (E_RNA)
where:
Base-Base interactions energy: -394.858
where: short stacking energy: -167.506
Base-Backbone interact. energy: -0.335
local terms energy: -186.190637
where:
bonds (distance) C4'-P energy: -37.334
bonds (distance) P-C4' energy: -34.989
flat angles C4'-P-C4' energy: -32.361
flat angles P-C4'-P energy: -29.571
tors. eta vs tors. theta energy: -51.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -557.724524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.724524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.724524 (E_RNA)
where:
Base-Base interactions energy: -378.489
where: short stacking energy: -168.484
Base-Backbone interact. energy: 0.062
local terms energy: -179.776610
where:
bonds (distance) C4'-P energy: -27.464
bonds (distance) P-C4' energy: -35.200
flat angles C4'-P-C4' energy: -35.138
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -53.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.479 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -522.523016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.523016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.523016 (E_RNA)
where:
Base-Base interactions energy: -362.716
where: short stacking energy: -141.867
Base-Backbone interact. energy: -0.474
local terms energy: -159.333700
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -35.123
flat angles C4'-P-C4' energy: -33.125
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -44.532
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: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -520.807443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.807443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.807443 (E_RNA)
where:
Base-Base interactions energy: -357.281
where: short stacking energy: -144.441
Base-Backbone interact. energy: -0.508
local terms energy: -163.018010
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -38.086
flat angles C4'-P-C4' energy: -38.929
flat angles P-C4'-P energy: -20.243
tors. eta vs tors. theta energy: -42.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -419.195370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.195370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.195370 (E_RNA)
where:
Base-Base interactions energy: -269.305
where: short stacking energy: -118.978
Base-Backbone interact. energy: -0.183
local terms energy: -150.614804
where:
bonds (distance) C4'-P energy: -34.057
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -35.824
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -31.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.908 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -453.223747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.223747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.223747 (E_RNA)
where:
Base-Base interactions energy: -302.780
where: short stacking energy: -133.561
Base-Backbone interact. energy: -1.298
local terms energy: -149.192625
where:
bonds (distance) C4'-P energy: -27.538
bonds (distance) P-C4' energy: -26.979
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -39.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.046 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -336.263555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.263555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.263555 (E_RNA)
where:
Base-Base interactions energy: -226.058
where: short stacking energy: -100.371
Base-Backbone interact. energy: 2.052
local terms energy: -112.256673
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -303.415178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.415178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.415178 (E_RNA)
where:
Base-Base interactions energy: -172.535
where: short stacking energy: -93.014
Base-Backbone interact. energy: 3.453
local terms energy: -134.332666
where:
bonds (distance) C4'-P energy: -32.170
bonds (distance) P-C4' energy: -35.862
flat angles C4'-P-C4' energy: -23.362
flat angles P-C4'-P energy: -19.169
tors. eta vs tors. theta energy: -23.770
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: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -245.788009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.788009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.788009 (E_RNA)
where:
Base-Base interactions energy: -147.146
where: short stacking energy: -61.068
Base-Backbone interact. energy: -0.217
local terms energy: -98.425155
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -30.138
flat angles P-C4'-P energy: -16.373
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: 300
Temperature: 1.350000
Total energy: -144.081576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.081576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.081576 (E_RNA)
where:
Base-Base interactions energy: -34.787
where: short stacking energy: -32.894
Base-Backbone interact. energy: 0.319
local terms energy: -109.613272
where:
bonds (distance) C4'-P energy: -38.055
bonds (distance) P-C4' energy: -29.726
flat angles C4'-P-C4' energy: -25.559
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -1.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -581.379996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.379996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.379996 (E_RNA)
where:
Base-Base interactions energy: -402.750
where: short stacking energy: -167.690
Base-Backbone interact. energy: -0.579
local terms energy: -178.050218
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -40.085
flat angles C4'-P-C4' energy: -34.357
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -51.638
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: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -546.535388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.535388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.535388 (E_RNA)
where:
Base-Base interactions energy: -363.643
where: short stacking energy: -157.768
Base-Backbone interact. energy: -0.481
local terms energy: -182.411508
where:
bonds (distance) C4'-P energy: -32.820
bonds (distance) P-C4' energy: -32.997
flat angles C4'-P-C4' energy: -36.598
flat angles P-C4'-P energy: -28.205
tors. eta vs tors. theta energy: -51.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -527.327778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.327778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.327778 (E_RNA)
where:
Base-Base interactions energy: -358.263
where: short stacking energy: -149.397
Base-Backbone interact. energy: -0.262
local terms energy: -168.802511
where:
bonds (distance) C4'-P energy: -31.585
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -37.623
flat angles P-C4'-P energy: -25.361
tors. eta vs tors. theta energy: -42.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -517.725545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.725545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.725545 (E_RNA)
where:
Base-Base interactions energy: -354.183
where: short stacking energy: -146.981
Base-Backbone interact. energy: -0.827
local terms energy: -162.715192
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -29.706
flat angles C4'-P-C4' energy: -34.109
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -43.283
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: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -432.440524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.440524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.440524 (E_RNA)
where:
Base-Base interactions energy: -290.045
where: short stacking energy: -114.734
Base-Backbone interact. energy: -0.259
local terms energy: -142.137056
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -24.018
flat angles C4'-P-C4' energy: -35.287
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -23.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -470.011470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.011470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.011470 (E_RNA)
where:
Base-Base interactions energy: -311.030
where: short stacking energy: -127.119
Base-Backbone interact. energy: -0.764
local terms energy: -158.217845
where:
bonds (distance) C4'-P energy: -29.668
bonds (distance) P-C4' energy: -26.633
flat angles C4'-P-C4' energy: -36.853
flat angles P-C4'-P energy: -25.061
tors. eta vs tors. theta energy: -40.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -373.296890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.296890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.296890 (E_RNA)
where:
Base-Base interactions energy: -245.144
where: short stacking energy: -109.850
Base-Backbone interact. energy: -0.742
local terms energy: -127.411094
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -250.220386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.220386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.220386 (E_RNA)
where:
Base-Base interactions energy: -134.051
where: short stacking energy: -67.743
Base-Backbone interact. energy: -1.324
local terms energy: -114.846064
where:
bonds (distance) C4'-P energy: -25.877
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -22.712
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -292.153041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.153041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.153041 (E_RNA)
where:
Base-Base interactions energy: -183.855
where: short stacking energy: -68.270
Base-Backbone interact. energy: -0.574
local terms energy: -107.723709
where:
bonds (distance) C4'-P energy: -24.124
bonds (distance) P-C4' energy: -35.229
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -145.772987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.772987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.772987 (E_RNA)
where:
Base-Base interactions energy: -55.483
where: short stacking energy: -40.870
Base-Backbone interact. energy: 0.016
local terms energy: -90.305965
where:
bonds (distance) C4'-P energy: -24.107
bonds (distance) P-C4' energy: -30.305
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: 7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -569.101884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.101884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.101884 (E_RNA)
where:
Base-Base interactions energy: -391.534
where: short stacking energy: -180.860
Base-Backbone interact. energy: -0.143
local terms energy: -178.657515
where:
bonds (distance) C4'-P energy: -31.757
bonds (distance) P-C4' energy: -33.650
flat angles C4'-P-C4' energy: -32.942
flat angles P-C4'-P energy: -27.837
tors. eta vs tors. theta energy: -52.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.232 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -554.426889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.426889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.426889 (E_RNA)
where:
Base-Base interactions energy: -377.008
where: short stacking energy: -152.951
Base-Backbone interact. energy: -0.161
local terms energy: -177.258639
where:
bonds (distance) C4'-P energy: -38.671
bonds (distance) P-C4' energy: -35.036
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -19.876
tors. eta vs tors. theta energy: -51.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -528.229559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.229559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.229559 (E_RNA)
where:
Base-Base interactions energy: -359.507
where: short stacking energy: -138.208
Base-Backbone interact. energy: 1.174
local terms energy: -169.895828
where:
bonds (distance) C4'-P energy: -34.732
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -44.066
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: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -506.667045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.667045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.667045 (E_RNA)
where:
Base-Base interactions energy: -338.941
where: short stacking energy: -138.001
Base-Backbone interact. energy: -0.589
local terms energy: -167.137479
where:
bonds (distance) C4'-P energy: -30.927
bonds (distance) P-C4' energy: -29.562
flat angles C4'-P-C4' energy: -37.631
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -46.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -488.779098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.779098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.779098 (E_RNA)
where:
Base-Base interactions energy: -322.127
where: short stacking energy: -131.631
Base-Backbone interact. energy: -0.736
local terms energy: -166.978772
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -36.453
flat angles P-C4'-P energy: -25.743
tors. eta vs tors. theta energy: -43.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.062 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -429.632704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.632704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.632704 (E_RNA)
where:
Base-Base interactions energy: -283.078
where: short stacking energy: -129.186
Base-Backbone interact. energy: -0.393
local terms energy: -146.492462
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -24.987
flat angles C4'-P-C4' energy: -37.072
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -34.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.330 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -374.951823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.951823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.951823 (E_RNA)
where:
Base-Base interactions energy: -246.795
where: short stacking energy: -111.553
Base-Backbone interact. energy: -0.495
local terms energy: -127.662703
where:
bonds (distance) C4'-P energy: -31.298
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -246.931203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.931203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.931203 (E_RNA)
where:
Base-Base interactions energy: -135.555
where: short stacking energy: -63.248
Base-Backbone interact. energy: -0.780
local terms energy: -110.596538
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -26.140
flat angles C4'-P-C4' energy: -35.760
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -296.581069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.581069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.581069 (E_RNA)
where:
Base-Base interactions energy: -178.410
where: short stacking energy: -94.065
Base-Backbone interact. energy: 1.784
local terms energy: -119.955912
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -29.735
flat angles C4'-P-C4' energy: -30.288
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -21.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -149.104244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.104244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.104244 (E_RNA)
where:
Base-Base interactions energy: -46.822
where: short stacking energy: -43.311
Base-Backbone interact. energy: 0.224
local terms energy: -102.505854
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -37.923
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -574.246722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.246722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.246722 (E_RNA)
where:
Base-Base interactions energy: -396.760
where: short stacking energy: -171.554
Base-Backbone interact. energy: -0.018
local terms energy: -177.468217
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -39.860
flat angles P-C4'-P energy: -21.441
tors. eta vs tors. theta energy: -52.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -561.994118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.994118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.994118 (E_RNA)
where:
Base-Base interactions energy: -389.601
where: short stacking energy: -160.181
Base-Backbone interact. energy: -1.168
local terms energy: -171.225213
where:
bonds (distance) C4'-P energy: -30.077
bonds (distance) P-C4' energy: -32.535
flat angles C4'-P-C4' energy: -31.138
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -53.319
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: 303
Temperature: 1.000000
Total energy: -535.816279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.816279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.816279 (E_RNA)
where:
Base-Base interactions energy: -366.781
where: short stacking energy: -156.179
Base-Backbone interact. energy: -1.226
local terms energy: -167.809155
where:
bonds (distance) C4'-P energy: -31.091
bonds (distance) P-C4' energy: -36.624
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -47.774
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: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -491.866456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.866456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.866456 (E_RNA)
where:
Base-Base interactions energy: -334.457
where: short stacking energy: -140.189
Base-Backbone interact. energy: 0.261
local terms energy: -157.670983
where:
bonds (distance) C4'-P energy: -32.998
bonds (distance) P-C4' energy: -29.485
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -19.859
tors. eta vs tors. theta energy: -45.807
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: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -500.716709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.716709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.716709 (E_RNA)
where:
Base-Base interactions energy: -340.838
where: short stacking energy: -125.639
Base-Backbone interact. energy: -0.215
local terms energy: -159.664320
where:
bonds (distance) C4'-P energy: -22.470
bonds (distance) P-C4' energy: -32.278
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -42.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -455.861036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.861036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.861036 (E_RNA)
where:
Base-Base interactions energy: -296.863
where: short stacking energy: -129.655
Base-Backbone interact. energy: -0.163
local terms energy: -158.834836
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -31.534
flat angles C4'-P-C4' energy: -31.486
flat angles P-C4'-P energy: -19.023
tors. eta vs tors. theta energy: -39.399
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: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -361.273705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.273705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.273705 (E_RNA)
where:
Base-Base interactions energy: -220.219
where: short stacking energy: -101.368
Base-Backbone interact. energy: -0.765
local terms energy: -140.289743
where:
bonds (distance) C4'-P energy: -29.851
bonds (distance) P-C4' energy: -29.150
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -26.597
tors. eta vs tors. theta energy: -22.451
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: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -300.498335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.498335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.498335 (E_RNA)
where:
Base-Base interactions energy: -171.482
where: short stacking energy: -94.386
Base-Backbone interact. energy: -1.330
local terms energy: -127.686694
where:
bonds (distance) C4'-P energy: -34.076
bonds (distance) P-C4' energy: -33.293
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -217.996436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.996436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.996436 (E_RNA)
where:
Base-Base interactions energy: -109.306
where: short stacking energy: -67.485
Base-Backbone interact. energy: -0.413
local terms energy: -108.277765
where:
bonds (distance) C4'-P energy: -30.682
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -157.991885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.991885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.991885 (E_RNA)
where:
Base-Base interactions energy: -45.789
where: short stacking energy: -42.247
Base-Backbone interact. energy: 0.657
local terms energy: -112.859534
where:
bonds (distance) C4'-P energy: -33.200
bonds (distance) P-C4' energy: -33.961
flat angles C4'-P-C4' energy: -27.635
flat angles P-C4'-P energy: -19.039
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -573.514247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.514247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.514247 (E_RNA)
where:
Base-Base interactions energy: -399.283
where: short stacking energy: -161.782
Base-Backbone interact. energy: -0.193
local terms energy: -174.037940
where:
bonds (distance) C4'-P energy: -34.571
bonds (distance) P-C4' energy: -33.229
flat angles C4'-P-C4' energy: -39.069
flat angles P-C4'-P energy: -19.405
tors. eta vs tors. theta energy: -47.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -560.051303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.051303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.051303 (E_RNA)
where:
Base-Base interactions energy: -374.879
where: short stacking energy: -158.916
Base-Backbone interact. energy: -0.363
local terms energy: -184.809410
where:
bonds (distance) C4'-P energy: -30.391
bonds (distance) P-C4' energy: -37.741
flat angles C4'-P-C4' energy: -39.186
flat angles P-C4'-P energy: -25.960
tors. eta vs tors. theta energy: -51.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -489.593578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.593578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.593578 (E_RNA)
where:
Base-Base interactions energy: -324.636
where: short stacking energy: -149.175
Base-Backbone interact. energy: -0.094
local terms energy: -165.924516
where:
bonds (distance) C4'-P energy: -27.760
bonds (distance) P-C4' energy: -36.144
flat angles C4'-P-C4' energy: -33.671
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: -41.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.060 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -509.939998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.939998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.939998 (E_RNA)
where:
Base-Base interactions energy: -346.139
where: short stacking energy: -131.363
Base-Backbone interact. energy: -0.963
local terms energy: -162.838588
where:
bonds (distance) C4'-P energy: -28.269
bonds (distance) P-C4' energy: -37.906
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -23.357
tors. eta vs tors. theta energy: -39.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -479.041703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.041703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.041703 (E_RNA)
where:
Base-Base interactions energy: -326.238
where: short stacking energy: -135.823
Base-Backbone interact. energy: -0.194
local terms energy: -152.609872
where:
bonds (distance) C4'-P energy: -31.982
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -43.174
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: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -437.821077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.821077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.821077 (E_RNA)
where:
Base-Base interactions energy: -285.562
where: short stacking energy: -134.562
Base-Backbone interact. energy: -0.769
local terms energy: -151.489697
where:
bonds (distance) C4'-P energy: -29.389
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -37.354
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: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -349.645295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.645295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.645295 (E_RNA)
where:
Base-Base interactions energy: -228.429
where: short stacking energy: -93.969
Base-Backbone interact. energy: 6.918
local terms energy: -128.134300
where:
bonds (distance) C4'-P energy: -31.460
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -26.242
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -13.048
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: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -308.868859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.868859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.868859 (E_RNA)
where:
Base-Base interactions energy: -184.799
where: short stacking energy: -93.796
Base-Backbone interact. energy: 1.450
local terms energy: -125.519745
where:
bonds (distance) C4'-P energy: -28.401
bonds (distance) P-C4' energy: -28.120
flat angles C4'-P-C4' energy: -27.753
flat angles P-C4'-P energy: -20.170
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -236.626130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.626130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.626130 (E_RNA)
where:
Base-Base interactions energy: -109.842
where: short stacking energy: -53.935
Base-Backbone interact. energy: -1.086
local terms energy: -125.697954
where:
bonds (distance) C4'-P energy: -27.307
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -160.757894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.757894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.757894 (E_RNA)
where:
Base-Base interactions energy: -65.572
where: short stacking energy: -43.565
Base-Backbone interact. energy: -0.008
local terms energy: -95.178552
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -26.795
flat angles P-C4'-P energy: -19.388
tors. eta vs tors. theta energy: 6.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -570.656527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.656527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.656527 (E_RNA)
where:
Base-Base interactions energy: -392.111
where: short stacking energy: -160.915
Base-Backbone interact. energy: -1.358
local terms energy: -177.187754
where:
bonds (distance) C4'-P energy: -33.209
bonds (distance) P-C4' energy: -34.217
flat angles C4'-P-C4' energy: -37.884
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -48.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -558.304388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.304388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.304388 (E_RNA)
where:
Base-Base interactions energy: -380.829
where: short stacking energy: -166.324
Base-Backbone interact. energy: -0.238
local terms energy: -177.237591
where:
bonds (distance) C4'-P energy: -30.696
bonds (distance) P-C4' energy: -34.970
flat angles C4'-P-C4' energy: -35.838
flat angles P-C4'-P energy: -28.111
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: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -519.405282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.405282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.405282 (E_RNA)
where:
Base-Base interactions energy: -341.799
where: short stacking energy: -166.729
Base-Backbone interact. energy: -0.923
local terms energy: -176.683856
where:
bonds (distance) C4'-P energy: -30.278
bonds (distance) P-C4' energy: -33.460
flat angles C4'-P-C4' energy: -35.710
flat angles P-C4'-P energy: -27.810
tors. eta vs tors. theta energy: -49.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -529.291372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.291372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.291372 (E_RNA)
where:
Base-Base interactions energy: -361.154
where: short stacking energy: -154.793
Base-Backbone interact. energy: -0.146
local terms energy: -167.990971
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -34.694
flat angles C4'-P-C4' energy: -38.053
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -44.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -449.207000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.207000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.207000 (E_RNA)
where:
Base-Base interactions energy: -289.964
where: short stacking energy: -130.997
Base-Backbone interact. energy: -0.185
local terms energy: -162.188141
where:
bonds (distance) C4'-P energy: -34.222
bonds (distance) P-C4' energy: -35.118
flat angles C4'-P-C4' energy: -36.617
flat angles P-C4'-P energy: -17.387
tors. eta vs tors. theta energy: -38.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.130 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -363.454713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.454713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.454713 (E_RNA)
where:
Base-Base interactions energy: -222.736
where: short stacking energy: -100.733
Base-Backbone interact. energy: -0.393
local terms energy: -140.325514
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -33.978
flat angles P-C4'-P energy: -18.209
tors. eta vs tors. theta energy: -28.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -401.076619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.076619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.076619 (E_RNA)
where:
Base-Base interactions energy: -266.975
where: short stacking energy: -116.277
Base-Backbone interact. energy: -0.928
local terms energy: -133.173350
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -30.769
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -300.594259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.594259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.594259 (E_RNA)
where:
Base-Base interactions energy: -183.208
where: short stacking energy: -87.214
Base-Backbone interact. energy: -0.202
local terms energy: -117.184327
where:
bonds (distance) C4'-P energy: -35.097
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -31.810
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -259.255296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.255296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.255296 (E_RNA)
where:
Base-Base interactions energy: -143.375
where: short stacking energy: -74.896
Base-Backbone interact. energy: -0.835
local terms energy: -115.045832
where:
bonds (distance) C4'-P energy: -36.039
bonds (distance) P-C4' energy: -36.100
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -11.430
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: 305
Temperature: 1.350000
Total energy: -142.039600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.039600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.039600 (E_RNA)
where:
Base-Base interactions energy: -72.040
where: short stacking energy: -36.265
Base-Backbone interact. energy: 0.740
local terms energy: -70.740067
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -30.057
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -16.787
tors. eta vs tors. theta energy: 11.108
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: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -574.193855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.193855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.193855 (E_RNA)
where:
Base-Base interactions energy: -388.606
where: short stacking energy: -166.060
Base-Backbone interact. energy: -0.904
local terms energy: -184.684088
where:
bonds (distance) C4'-P energy: -35.413
bonds (distance) P-C4' energy: -38.554
flat angles C4'-P-C4' energy: -38.221
flat angles P-C4'-P energy: -20.011
tors. eta vs tors. theta energy: -52.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -566.429421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.429421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.429421 (E_RNA)
where:
Base-Base interactions energy: -386.892
where: short stacking energy: -164.321
Base-Backbone interact. energy: 0.593
local terms energy: -180.130452
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -32.553
flat angles C4'-P-C4' energy: -36.501
flat angles P-C4'-P energy: -30.228
tors. eta vs tors. theta energy: -55.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -522.810321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.810321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.810321 (E_RNA)
where:
Base-Base interactions energy: -363.185
where: short stacking energy: -146.615
Base-Backbone interact. energy: -0.222
local terms energy: -159.403103
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -33.502
flat angles C4'-P-C4' energy: -32.160
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -45.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -512.706133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.706133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.706133 (E_RNA)
where:
Base-Base interactions energy: -340.225
where: short stacking energy: -151.909
Base-Backbone interact. energy: -0.417
local terms energy: -172.064429
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -30.941
flat angles C4'-P-C4' energy: -32.783
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -51.459
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: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -434.465936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.465936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.465936 (E_RNA)
where:
Base-Base interactions energy: -293.156
where: short stacking energy: -122.709
Base-Backbone interact. energy: -0.384
local terms energy: -140.926048
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -34.807
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -28.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -376.382157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.382157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.382157 (E_RNA)
where:
Base-Base interactions energy: -228.594
where: short stacking energy: -97.823
Base-Backbone interact. energy: -0.618
local terms energy: -147.296404
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -29.451
flat angles C4'-P-C4' energy: -37.534
flat angles P-C4'-P energy: -20.845
tors. eta vs tors. theta energy: -27.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.126 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -425.692164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.692164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.692164 (E_RNA)
where:
Base-Base interactions energy: -286.465
where: short stacking energy: -122.750
Base-Backbone interact. energy: -0.385
local terms energy: -138.842289
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -27.059
flat angles C4'-P-C4' energy: -29.764
flat angles P-C4'-P energy: -22.319
tors. eta vs tors. theta energy: -31.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -297.348355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.348355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.348355 (E_RNA)
where:
Base-Base interactions energy: -187.975
where: short stacking energy: -89.763
Base-Backbone interact. energy: -0.129
local terms energy: -110.104827
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -18.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.861 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -270.466156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.466156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.466156 (E_RNA)
where:
Base-Base interactions energy: -154.392
where: short stacking energy: -70.953
Base-Backbone interact. energy: -1.080
local terms energy: -114.994375
where:
bonds (distance) C4'-P energy: -28.959
bonds (distance) P-C4' energy: -29.757
flat angles C4'-P-C4' energy: -27.908
flat angles P-C4'-P energy: -16.171
tors. eta vs tors. theta energy: -12.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -164.208559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.208559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.208559 (E_RNA)
where:
Base-Base interactions energy: -97.242
where: short stacking energy: -43.184
Base-Backbone interact. energy: 2.632
local terms energy: -69.599094
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -32.705
flat angles C4'-P-C4' energy: -7.525
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: 11.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -586.131691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.131691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.131691 (E_RNA)
where:
Base-Base interactions energy: -403.356
where: short stacking energy: -178.278
Base-Backbone interact. energy: -1.312
local terms energy: -181.463250
where:
bonds (distance) C4'-P energy: -34.915
bonds (distance) P-C4' energy: -35.563
flat angles C4'-P-C4' energy: -35.083
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -53.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -552.375373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.375373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.375373 (E_RNA)
where:
Base-Base interactions energy: -379.169
where: short stacking energy: -156.558
Base-Backbone interact. energy: -0.105
local terms energy: -173.101674
where:
bonds (distance) C4'-P energy: -29.199
bonds (distance) P-C4' energy: -39.961
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -25.256
tors. eta vs tors. theta energy: -46.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -564.301450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.301450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.301450 (E_RNA)
where:
Base-Base interactions energy: -373.298
where: short stacking energy: -162.137
Base-Backbone interact. energy: -0.856
local terms energy: -190.147123
where:
bonds (distance) C4'-P energy: -37.723
bonds (distance) P-C4' energy: -32.770
flat angles C4'-P-C4' energy: -36.667
flat angles P-C4'-P energy: -25.717
tors. eta vs tors. theta energy: -57.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -532.770376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.770376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.770376 (E_RNA)
where:
Base-Base interactions energy: -356.410
where: short stacking energy: -156.942
Base-Backbone interact. energy: -0.219
local terms energy: -176.141036
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -32.508
flat angles C4'-P-C4' energy: -36.892
flat angles P-C4'-P energy: -30.214
tors. eta vs tors. theta energy: -50.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -446.271350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.271350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.271350 (E_RNA)
where:
Base-Base interactions energy: -289.579
where: short stacking energy: -141.601
Base-Backbone interact. energy: -0.769
local terms energy: -156.167821
where:
bonds (distance) C4'-P energy: -31.070
bonds (distance) P-C4' energy: -32.323
flat angles C4'-P-C4' energy: -31.754
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -36.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.244 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -430.786169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.786169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.786169 (E_RNA)
where:
Base-Base interactions energy: -279.932
where: short stacking energy: -129.021
Base-Backbone interact. energy: -1.220
local terms energy: -149.634056
where:
bonds (distance) C4'-P energy: -30.856
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -37.766
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: -32.472
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: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -362.867323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.867323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.867323 (E_RNA)
where:
Base-Base interactions energy: -233.434
where: short stacking energy: -100.070
Base-Backbone interact. energy: -1.729
local terms energy: -127.704818
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -33.289
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -24.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -295.906970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.906970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.906970 (E_RNA)
where:
Base-Base interactions energy: -175.528
where: short stacking energy: -87.960
Base-Backbone interact. energy: 3.267
local terms energy: -123.645917
where:
bonds (distance) C4'-P energy: -28.364
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -296.081016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.081016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.081016 (E_RNA)
where:
Base-Base interactions energy: -183.155
where: short stacking energy: -79.072
Base-Backbone interact. energy: 0.233
local terms energy: -113.600408
where:
bonds (distance) C4'-P energy: -26.511
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -35.169
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.441 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -176.269352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.269352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.269352 (E_RNA)
where:
Base-Base interactions energy: -75.451
where: short stacking energy: -45.129
Base-Backbone interact. energy: 0.055
local terms energy: -100.873412
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -31.132
flat angles C4'-P-C4' energy: -24.549
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -574.792120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.792120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.792120 (E_RNA)
where:
Base-Base interactions energy: -394.386
where: short stacking energy: -160.213
Base-Backbone interact. energy: 0.104
local terms energy: -180.510101
where:
bonds (distance) C4'-P energy: -32.218
bonds (distance) P-C4' energy: -32.902
flat angles C4'-P-C4' energy: -35.517
flat angles P-C4'-P energy: -31.696
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: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -558.569573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.569573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.569573 (E_RNA)
where:
Base-Base interactions energy: -383.318
where: short stacking energy: -153.997
Base-Backbone interact. energy: -0.607
local terms energy: -174.645457
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -37.239
flat angles C4'-P-C4' energy: -41.335
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -47.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -560.133682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.133682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.133682 (E_RNA)
where:
Base-Base interactions energy: -386.202
where: short stacking energy: -168.102
Base-Backbone interact. energy: -0.623
local terms energy: -173.309308
where:
bonds (distance) C4'-P energy: -33.428
bonds (distance) P-C4' energy: -30.515
flat angles C4'-P-C4' energy: -31.387
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -55.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -520.884284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.884284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.884284 (E_RNA)
where:
Base-Base interactions energy: -350.368
where: short stacking energy: -140.287
Base-Backbone interact. energy: -0.142
local terms energy: -170.373885
where:
bonds (distance) C4'-P energy: -28.475
bonds (distance) P-C4' energy: -32.395
flat angles C4'-P-C4' energy: -37.114
flat angles P-C4'-P energy: -29.113
tors. eta vs tors. theta energy: -43.277
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: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -437.534567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.534567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.534567 (E_RNA)
where:
Base-Base interactions energy: -280.358
where: short stacking energy: -123.824
Base-Backbone interact. energy: -0.535
local terms energy: -156.641404
where:
bonds (distance) C4'-P energy: -28.014
bonds (distance) P-C4' energy: -31.676
flat angles C4'-P-C4' energy: -35.842
flat angles P-C4'-P energy: -24.454
tors. eta vs tors. theta energy: -36.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -419.354266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.354266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.354266 (E_RNA)
where:
Base-Base interactions energy: -275.149
where: short stacking energy: -112.324
Base-Backbone interact. energy: -0.973
local terms energy: -143.233167
where:
bonds (distance) C4'-P energy: -30.815
bonds (distance) P-C4' energy: -26.341
flat angles C4'-P-C4' energy: -33.486
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: -25.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -306.950755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.950755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.950755 (E_RNA)
where:
Base-Base interactions energy: -172.929
where: short stacking energy: -87.690
Base-Backbone interact. energy: -0.244
local terms energy: -134.436581
where:
bonds (distance) C4'-P energy: -30.079
bonds (distance) P-C4' energy: -36.639
flat angles C4'-P-C4' energy: -31.579
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.659 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -348.107599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.107599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.107599 (E_RNA)
where:
Base-Base interactions energy: -211.714
where: short stacking energy: -105.276
Base-Backbone interact. energy: -0.196
local terms energy: -136.196831
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -34.946
flat angles C4'-P-C4' energy: -28.785
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -31.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -289.823000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.823000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.823000 (E_RNA)
where:
Base-Base interactions energy: -169.391
where: short stacking energy: -77.767
Base-Backbone interact. energy: -0.595
local terms energy: -119.836826
where:
bonds (distance) C4'-P energy: -24.133
bonds (distance) P-C4' energy: -35.051
flat angles C4'-P-C4' energy: -31.751
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -16.284
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: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -138.318307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.318307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.318307 (E_RNA)
where:
Base-Base interactions energy: -47.075
where: short stacking energy: -37.288
Base-Backbone interact. energy: 0.739
local terms energy: -91.981668
where:
bonds (distance) C4'-P energy: -28.166
bonds (distance) P-C4' energy: -31.949
flat angles C4'-P-C4' energy: -27.830
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: 4.489
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: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -580.199998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.199998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.199998 (E_RNA)
where:
Base-Base interactions energy: -398.673
where: short stacking energy: -165.935
Base-Backbone interact. energy: -0.615
local terms energy: -180.911254
where:
bonds (distance) C4'-P energy: -35.281
bonds (distance) P-C4' energy: -36.079
flat angles C4'-P-C4' energy: -32.866
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -47.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -560.662471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.662471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.662471 (E_RNA)
where:
Base-Base interactions energy: -381.359
where: short stacking energy: -171.440
Base-Backbone interact. energy: -0.042
local terms energy: -179.261062
where:
bonds (distance) C4'-P energy: -30.852
bonds (distance) P-C4' energy: -33.482
flat angles C4'-P-C4' energy: -38.983
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -52.506
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: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -545.259132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.259132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.259132 (E_RNA)
where:
Base-Base interactions energy: -386.187
where: short stacking energy: -161.862
Base-Backbone interact. energy: -0.421
local terms energy: -158.650706
where:
bonds (distance) C4'-P energy: -30.764
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -50.693
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: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -524.439133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.439133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.439133 (E_RNA)
where:
Base-Base interactions energy: -344.923
where: short stacking energy: -149.894
Base-Backbone interact. energy: -1.549
local terms energy: -177.967439
where:
bonds (distance) C4'-P energy: -32.891
bonds (distance) P-C4' energy: -37.567
flat angles C4'-P-C4' energy: -36.095
flat angles P-C4'-P energy: -21.680
tors. eta vs tors. theta energy: -49.735
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: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -437.869370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.869370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.869370 (E_RNA)
where:
Base-Base interactions energy: -289.902
where: short stacking energy: -133.019
Base-Backbone interact. energy: -1.140
local terms energy: -146.826910
where:
bonds (distance) C4'-P energy: -27.082
bonds (distance) P-C4' energy: -33.928
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -39.425
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: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -440.423661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.423661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.423661 (E_RNA)
where:
Base-Base interactions energy: -281.583
where: short stacking energy: -133.757
Base-Backbone interact. energy: -0.786
local terms energy: -158.054648
where:
bonds (distance) C4'-P energy: -32.876
bonds (distance) P-C4' energy: -30.739
flat angles C4'-P-C4' energy: -29.483
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -38.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -329.491604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.491604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.491604 (E_RNA)
where:
Base-Base interactions energy: -204.372
where: short stacking energy: -95.501
Base-Backbone interact. energy: 1.105
local terms energy: -126.225063
where:
bonds (distance) C4'-P energy: -28.744
bonds (distance) P-C4' energy: -28.594
flat angles C4'-P-C4' energy: -30.222
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -18.693
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: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -350.276179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.276179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.276179 (E_RNA)
where:
Base-Base interactions energy: -211.911
where: short stacking energy: -97.863
Base-Backbone interact. energy: -1.011
local terms energy: -137.353542
where:
bonds (distance) C4'-P energy: -21.966
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -34.733
flat angles P-C4'-P energy: -18.379
tors. eta vs tors. theta energy: -27.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -263.213386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.213386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.213386 (E_RNA)
where:
Base-Base interactions energy: -146.695
where: short stacking energy: -88.944
Base-Backbone interact. energy: -0.233
local terms energy: -117.388738
where:
bonds (distance) C4'-P energy: -27.865
bonds (distance) P-C4' energy: -31.183
flat angles C4'-P-C4' energy: -32.297
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.103 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -146.809484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.809484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.809484 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -41.892
Base-Backbone interact. energy: 1.719
local terms energy: -102.384404
where:
bonds (distance) C4'-P energy: -34.942
bonds (distance) P-C4' energy: -31.125
flat angles C4'-P-C4' energy: -28.462
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: 5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -566.378653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.378653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.378653 (E_RNA)
where:
Base-Base interactions energy: -391.563
where: short stacking energy: -165.733
Base-Backbone interact. energy: -0.035
local terms energy: -174.780211
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -33.569
flat angles C4'-P-C4' energy: -34.276
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -54.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -564.978828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.978828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.978828 (E_RNA)
where:
Base-Base interactions energy: -389.127
where: short stacking energy: -170.117
Base-Backbone interact. energy: -0.280
local terms energy: -175.571540
where:
bonds (distance) C4'-P energy: -33.121
bonds (distance) P-C4' energy: -31.129
flat angles C4'-P-C4' energy: -34.120
flat angles P-C4'-P energy: -25.190
tors. eta vs tors. theta energy: -52.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -536.958335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.958335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.958335 (E_RNA)
where:
Base-Base interactions energy: -369.723
where: short stacking energy: -157.361
Base-Backbone interact. energy: 0.558
local terms energy: -167.793452
where:
bonds (distance) C4'-P energy: -35.592
bonds (distance) P-C4' energy: -36.427
flat angles C4'-P-C4' energy: -29.433
flat angles P-C4'-P energy: -25.772
tors. eta vs tors. theta energy: -40.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -509.643005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.643005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.643005 (E_RNA)
where:
Base-Base interactions energy: -336.246
where: short stacking energy: -152.680
Base-Backbone interact. energy: -0.932
local terms energy: -172.464943
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -39.325
flat angles C4'-P-C4' energy: -35.536
flat angles P-C4'-P energy: -26.347
tors. eta vs tors. theta energy: -41.110
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: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -443.648168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.648168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.648168 (E_RNA)
where:
Base-Base interactions energy: -300.846
where: short stacking energy: -128.954
Base-Backbone interact. energy: -0.395
local terms energy: -142.406265
where:
bonds (distance) C4'-P energy: -32.172
bonds (distance) P-C4' energy: -32.963
flat angles C4'-P-C4' energy: -32.032
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -30.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -437.434274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.434274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.434274 (E_RNA)
where:
Base-Base interactions energy: -277.643
where: short stacking energy: -125.249
Base-Backbone interact. energy: -0.744
local terms energy: -159.046537
where:
bonds (distance) C4'-P energy: -33.423
bonds (distance) P-C4' energy: -29.623
flat angles C4'-P-C4' energy: -40.989
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -34.893
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: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -318.076470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.076470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.076470 (E_RNA)
where:
Base-Base interactions energy: -197.341
where: short stacking energy: -81.698
Base-Backbone interact. energy: -1.265
local terms energy: -119.469833
where:
bonds (distance) C4'-P energy: -29.270
bonds (distance) P-C4' energy: -34.781
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -14.891
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -311.348397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.348397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.348397 (E_RNA)
where:
Base-Base interactions energy: -199.858
where: short stacking energy: -98.369
Base-Backbone interact. energy: -0.311
local terms energy: -111.179950
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -31.250
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -149.376347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.376347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.376347 (E_RNA)
where:
Base-Base interactions energy: -51.251
where: short stacking energy: -26.012
Base-Backbone interact. energy: -1.068
local terms energy: -97.056794
where:
bonds (distance) C4'-P energy: -35.431
bonds (distance) P-C4' energy: -31.028
flat angles C4'-P-C4' energy: -32.271
flat angles P-C4'-P energy: -3.119
tors. eta vs tors. theta energy: 4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -152.073464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.073464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.073464 (E_RNA)
where:
Base-Base interactions energy: -40.464
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.590
local terms energy: -111.018569
where:
bonds (distance) C4'-P energy: -23.018
bonds (distance) P-C4' energy: -31.900
flat angles C4'-P-C4' energy: -38.022
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -570.541259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.541259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.541259 (E_RNA)
where:
Base-Base interactions energy: -381.853
where: short stacking energy: -178.962
Base-Backbone interact. energy: -0.572
local terms energy: -188.116464
where:
bonds (distance) C4'-P energy: -32.556
bonds (distance) P-C4' energy: -36.336
flat angles C4'-P-C4' energy: -39.072
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -58.150
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: 5
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -544.403481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.403481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.403481 (E_RNA)
where:
Base-Base interactions energy: -375.720
where: short stacking energy: -153.627
Base-Backbone interact. energy: -0.222
local terms energy: -168.461706
where:
bonds (distance) C4'-P energy: -33.044
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -37.446
flat angles P-C4'-P energy: -20.662
tors. eta vs tors. theta energy: -40.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -551.637344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.637344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.637344 (E_RNA)
where:
Base-Base interactions energy: -380.591
where: short stacking energy: -150.412
Base-Backbone interact. energy: -0.267
local terms energy: -170.778674
where:
bonds (distance) C4'-P energy: -36.768
bonds (distance) P-C4' energy: -31.514
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -23.392
tors. eta vs tors. theta energy: -47.413
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: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -509.153170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.153170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.153170 (E_RNA)
where:
Base-Base interactions energy: -355.940
where: short stacking energy: -145.587
Base-Backbone interact. energy: -0.469
local terms energy: -153.663394
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -28.227
flat angles C4'-P-C4' energy: -30.803
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -47.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.920 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -458.267007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.267007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.267007 (E_RNA)
where:
Base-Base interactions energy: -320.845
where: short stacking energy: -134.508
Base-Backbone interact. energy: -0.641
local terms energy: -136.780873
where:
bonds (distance) C4'-P energy: -34.759
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -32.407
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -28.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -451.765797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.765797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.765797 (E_RNA)
where:
Base-Base interactions energy: -299.753
where: short stacking energy: -120.931
Base-Backbone interact. energy: -0.676
local terms energy: -151.380846
where:
bonds (distance) C4'-P energy: -32.495
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -28.954
flat angles P-C4'-P energy: -19.643
tors. eta vs tors. theta energy: -34.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.045 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -338.938860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.938860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.938860 (E_RNA)
where:
Base-Base interactions energy: -207.248
where: short stacking energy: -101.634
Base-Backbone interact. energy: -0.474
local terms energy: -131.216730
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -37.472
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -24.540
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -307.469117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.469117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.469117 (E_RNA)
where:
Base-Base interactions energy: -179.792
where: short stacking energy: -84.634
Base-Backbone interact. energy: -1.197
local terms energy: -126.479912
where:
bonds (distance) C4'-P energy: -32.573
bonds (distance) P-C4' energy: -33.174
flat angles C4'-P-C4' energy: -28.738
flat angles P-C4'-P energy: -16.988
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -150.876712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.876712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.876712 (E_RNA)
where:
Base-Base interactions energy: -54.197
where: short stacking energy: -37.621
Base-Backbone interact. energy: 1.867
local terms energy: -98.546112
where:
bonds (distance) C4'-P energy: -27.956
bonds (distance) P-C4' energy: -34.795
flat angles C4'-P-C4' energy: -24.090
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: 3.229
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: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -146.110567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.110567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.110567 (E_RNA)
where:
Base-Base interactions energy: -53.531
where: short stacking energy: -45.283
Base-Backbone interact. energy: 0.907
local terms energy: -93.486751
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -25.067
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: 4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -565.453598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.453598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.453598 (E_RNA)
where:
Base-Base interactions energy: -381.946
where: short stacking energy: -171.320
Base-Backbone interact. energy: 0.030
local terms energy: -183.537999
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -39.032
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -53.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -552.071811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.071811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.071811 (E_RNA)
where:
Base-Base interactions energy: -374.013
where: short stacking energy: -166.095
Base-Backbone interact. energy: -0.017
local terms energy: -178.040946
where:
bonds (distance) C4'-P energy: -35.441
bonds (distance) P-C4' energy: -35.220
flat angles C4'-P-C4' energy: -36.870
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -50.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -531.991032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.991032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.991032 (E_RNA)
where:
Base-Base interactions energy: -355.429
where: short stacking energy: -160.167
Base-Backbone interact. energy: -0.332
local terms energy: -176.230227
where:
bonds (distance) C4'-P energy: -37.200
bonds (distance) P-C4' energy: -30.804
flat angles C4'-P-C4' energy: -34.972
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -51.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -501.256574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.256574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.256574 (E_RNA)
where:
Base-Base interactions energy: -333.145
where: short stacking energy: -135.886
Base-Backbone interact. energy: -0.982
local terms energy: -167.130241
where:
bonds (distance) C4'-P energy: -33.014
bonds (distance) P-C4' energy: -38.829
flat angles C4'-P-C4' energy: -34.914
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -39.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -453.683764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.683764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.683764 (E_RNA)
where:
Base-Base interactions energy: -302.938
where: short stacking energy: -135.629
Base-Backbone interact. energy: -0.629
local terms energy: -150.117106
where:
bonds (distance) C4'-P energy: -31.938
bonds (distance) P-C4' energy: -33.774
flat angles C4'-P-C4' energy: -33.121
flat angles P-C4'-P energy: -18.690
tors. eta vs tors. theta energy: -32.594
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: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -440.920692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.920692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.920692 (E_RNA)
where:
Base-Base interactions energy: -287.159
where: short stacking energy: -132.333
Base-Backbone interact. energy: -0.107
local terms energy: -154.616725
where:
bonds (distance) C4'-P energy: -25.840
bonds (distance) P-C4' energy: -36.509
flat angles C4'-P-C4' energy: -30.197
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -39.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.962 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -331.994113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.994113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.994113 (E_RNA)
where:
Base-Base interactions energy: -207.220
where: short stacking energy: -82.850
Base-Backbone interact. energy: -0.465
local terms energy: -124.308599
where:
bonds (distance) C4'-P energy: -30.866
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -26.927
flat angles P-C4'-P energy: -21.993
tors. eta vs tors. theta energy: -15.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -317.454495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.454495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.454495 (E_RNA)
where:
Base-Base interactions energy: -178.543
where: short stacking energy: -89.636
Base-Backbone interact. energy: -0.278
local terms energy: -138.633660
where:
bonds (distance) C4'-P energy: -29.653
bonds (distance) P-C4' energy: -21.861
flat angles C4'-P-C4' energy: -33.408
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -168.375531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.375531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.375531 (E_RNA)
where:
Base-Base interactions energy: -49.479
where: short stacking energy: -28.686
Base-Backbone interact. energy: -1.307
local terms energy: -117.589627
where:
bonds (distance) C4'-P energy: -38.772
bonds (distance) P-C4' energy: -31.917
flat angles C4'-P-C4' energy: -29.896
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: 5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -161.359292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.359292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.359292 (E_RNA)
where:
Base-Base interactions energy: -64.447
where: short stacking energy: -57.586
Base-Backbone interact. energy: -0.543
local terms energy: -96.369433
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -559.131126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.131126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.131126 (E_RNA)
where:
Base-Base interactions energy: -382.021
where: short stacking energy: -164.700
Base-Backbone interact. energy: -0.016
local terms energy: -177.750963
where:
bonds (distance) C4'-P energy: -34.163
bonds (distance) P-C4' energy: -33.044
flat angles C4'-P-C4' energy: -32.315
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -55.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.656 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -535.605209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.605209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.605209 (E_RNA)
where:
Base-Base interactions energy: -365.771
where: short stacking energy: -147.456
Base-Backbone interact. energy: -0.408
local terms energy: -169.427140
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -37.216
flat angles C4'-P-C4' energy: -36.941
flat angles P-C4'-P energy: -25.637
tors. eta vs tors. theta energy: -43.452
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: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -535.432237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.432237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.432237 (E_RNA)
where:
Base-Base interactions energy: -362.581
where: short stacking energy: -147.115
Base-Backbone interact. energy: 0.167
local terms energy: -173.018134
where:
bonds (distance) C4'-P energy: -29.118
bonds (distance) P-C4' energy: -32.778
flat angles C4'-P-C4' energy: -41.317
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: -47.311
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: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -463.583853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.583853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.583853 (E_RNA)
where:
Base-Base interactions energy: -307.978
where: short stacking energy: -135.806
Base-Backbone interact. energy: -0.799
local terms energy: -154.806748
where:
bonds (distance) C4'-P energy: -33.528
bonds (distance) P-C4' energy: -31.692
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -23.113
tors. eta vs tors. theta energy: -34.045
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: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -457.613715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.613715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.613715 (E_RNA)
where:
Base-Base interactions energy: -309.575
where: short stacking energy: -134.444
Base-Backbone interact. energy: 0.659
local terms energy: -148.698168
where:
bonds (distance) C4'-P energy: -23.731
bonds (distance) P-C4' energy: -32.096
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -36.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -452.909157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.909157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.909157 (E_RNA)
where:
Base-Base interactions energy: -304.361
where: short stacking energy: -129.319
Base-Backbone interact. energy: 2.011
local terms energy: -150.559381
where:
bonds (distance) C4'-P energy: -27.282
bonds (distance) P-C4' energy: -26.087
flat angles C4'-P-C4' energy: -36.161
flat angles P-C4'-P energy: -26.729
tors. eta vs tors. theta energy: -34.301
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: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -378.236467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.236467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.236467 (E_RNA)
where:
Base-Base interactions energy: -236.973
where: short stacking energy: -117.316
Base-Backbone interact. energy: -0.117
local terms energy: -141.145724
where:
bonds (distance) C4'-P energy: -32.077
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -27.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -300.496412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.496412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.496412 (E_RNA)
where:
Base-Base interactions energy: -173.134
where: short stacking energy: -84.434
Base-Backbone interact. energy: -0.084
local terms energy: -127.277782
where:
bonds (distance) C4'-P energy: -26.398
bonds (distance) P-C4' energy: -36.765
flat angles C4'-P-C4' energy: -27.833
flat angles P-C4'-P energy: -20.502
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -161.559173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.559173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.559173 (E_RNA)
where:
Base-Base interactions energy: -59.865
where: short stacking energy: -46.174
Base-Backbone interact. energy: 1.207
local terms energy: -102.901286
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -28.182
flat angles C4'-P-C4' energy: -28.765
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -151.579262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.579262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.579262 (E_RNA)
where:
Base-Base interactions energy: -53.754
where: short stacking energy: -50.015
Base-Backbone interact. energy: -0.391
local terms energy: -97.434228
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -34.064
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -15.229
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -556.240133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.240133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.240133 (E_RNA)
where:
Base-Base interactions energy: -366.779
where: short stacking energy: -158.881
Base-Backbone interact. energy: -0.408
local terms energy: -189.053473
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -38.088
flat angles C4'-P-C4' energy: -36.217
flat angles P-C4'-P energy: -32.698
tors. eta vs tors. theta energy: -48.769
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: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -553.082877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.082877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.082877 (E_RNA)
where:
Base-Base interactions energy: -372.528
where: short stacking energy: -168.206
Base-Backbone interact. energy: -0.495
local terms energy: -180.282570
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -30.690
flat angles C4'-P-C4' energy: -38.141
flat angles P-C4'-P energy: -26.116
tors. eta vs tors. theta energy: -52.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.222 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -553.162829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.162829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.162829 (E_RNA)
where:
Base-Base interactions energy: -375.002
where: short stacking energy: -151.722
Base-Backbone interact. energy: -0.656
local terms energy: -177.504496
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -40.032
flat angles P-C4'-P energy: -31.145
tors. eta vs tors. theta energy: -44.994
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: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -447.303630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.303630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.303630 (E_RNA)
where:
Base-Base interactions energy: -293.983
where: short stacking energy: -125.711
Base-Backbone interact. energy: -0.018
local terms energy: -153.301963
where:
bonds (distance) C4'-P energy: -34.215
bonds (distance) P-C4' energy: -22.654
flat angles C4'-P-C4' energy: -35.889
flat angles P-C4'-P energy: -19.143
tors. eta vs tors. theta energy: -41.401
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: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -469.937570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.937570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.937570 (E_RNA)
where:
Base-Base interactions energy: -307.240
where: short stacking energy: -137.915
Base-Backbone interact. energy: -1.680
local terms energy: -161.017363
where:
bonds (distance) C4'-P energy: -36.043
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: -37.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -429.818884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.818884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.818884 (E_RNA)
where:
Base-Base interactions energy: -275.474
where: short stacking energy: -111.777
Base-Backbone interact. energy: -0.483
local terms energy: -154.354117
where:
bonds (distance) C4'-P energy: -37.510
bonds (distance) P-C4' energy: -33.906
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -18.313
tors. eta vs tors. theta energy: -34.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.492 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -403.986605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.986605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.986605 (E_RNA)
where:
Base-Base interactions energy: -263.658
where: short stacking energy: -105.189
Base-Backbone interact. energy: 1.413
local terms energy: -141.741878
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -33.114
flat angles C4'-P-C4' energy: -36.734
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: -25.985
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: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -291.385616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.385616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.385616 (E_RNA)
where:
Base-Base interactions energy: -153.781
where: short stacking energy: -85.849
Base-Backbone interact. energy: -0.168
local terms energy: -137.436789
where:
bonds (distance) C4'-P energy: -36.139
bonds (distance) P-C4' energy: -35.205
flat angles C4'-P-C4' energy: -33.292
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -147.685863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.685863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.685863 (E_RNA)
where:
Base-Base interactions energy: -42.697
where: short stacking energy: -41.639
Base-Backbone interact. energy: 2.265
local terms energy: -107.254132
where:
bonds (distance) C4'-P energy: -32.721
bonds (distance) P-C4' energy: -31.645
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: 2.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -151.819229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.819229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.819229 (E_RNA)
where:
Base-Base interactions energy: -59.424
where: short stacking energy: -46.543
Base-Backbone interact. energy: -0.396
local terms energy: -92.000074
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -27.642
flat angles C4'-P-C4' energy: -24.536
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: 8.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -554.356138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.356138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.356138 (E_RNA)
where:
Base-Base interactions energy: -376.416
where: short stacking energy: -157.638
Base-Backbone interact. energy: -1.194
local terms energy: -176.746846
where:
bonds (distance) C4'-P energy: -37.340
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: -48.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -543.043902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.043902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.043902 (E_RNA)
where:
Base-Base interactions energy: -380.062
where: short stacking energy: -162.670
Base-Backbone interact. energy: -0.008
local terms energy: -163.428788
where:
bonds (distance) C4'-P energy: -26.794
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -35.783
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -51.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.455 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -546.870292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.870292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.870292 (E_RNA)
where:
Base-Base interactions energy: -371.465
where: short stacking energy: -152.926
Base-Backbone interact. energy: -0.418
local terms energy: -174.987101
where:
bonds (distance) C4'-P energy: -28.784
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -37.949
flat angles P-C4'-P energy: -28.923
tors. eta vs tors. theta energy: -45.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -492.599302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.599302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.599302 (E_RNA)
where:
Base-Base interactions energy: -336.844
where: short stacking energy: -140.098
Base-Backbone interact. energy: -0.389
local terms energy: -155.365595
where:
bonds (distance) C4'-P energy: -30.771
bonds (distance) P-C4' energy: -34.407
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -21.364
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: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -434.521754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.521754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.521754 (E_RNA)
where:
Base-Base interactions energy: -281.631
where: short stacking energy: -119.123
Base-Backbone interact. energy: 3.464
local terms energy: -156.354539
where:
bonds (distance) C4'-P energy: -32.317
bonds (distance) P-C4' energy: -37.962
flat angles C4'-P-C4' energy: -27.840
flat angles P-C4'-P energy: -29.207
tors. eta vs tors. theta energy: -29.029
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: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -418.326529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.326529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.326529 (E_RNA)
where:
Base-Base interactions energy: -266.497
where: short stacking energy: -122.793
Base-Backbone interact. energy: -1.396
local terms energy: -150.433289
where:
bonds (distance) C4'-P energy: -30.441
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -28.445
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -30.385
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: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -389.419819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.419819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.419819 (E_RNA)
where:
Base-Base interactions energy: -255.656
where: short stacking energy: -104.161
Base-Backbone interact. energy: -0.468
local terms energy: -133.295910
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -35.633
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -24.511
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -283.165975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.165975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.165975 (E_RNA)
where:
Base-Base interactions energy: -157.010
where: short stacking energy: -88.818
Base-Backbone interact. energy: -0.759
local terms energy: -125.396837
where:
bonds (distance) C4'-P energy: -25.483
bonds (distance) P-C4' energy: -29.725
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -163.992845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.992845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.992845 (E_RNA)
where:
Base-Base interactions energy: -57.872
where: short stacking energy: -47.860
Base-Backbone interact. energy: -0.307
local terms energy: -105.814228
where:
bonds (distance) C4'-P energy: -31.746
bonds (distance) P-C4' energy: -28.281
flat angles C4'-P-C4' energy: -25.989
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -156.319609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.319609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.319609 (E_RNA)
where:
Base-Base interactions energy: -53.756
where: short stacking energy: -47.892
Base-Backbone interact. energy: -0.687
local terms energy: -101.876606
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -33.244
flat angles C4'-P-C4' energy: -24.850
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -3.635
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: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -566.929110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.929110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.929110 (E_RNA)
where:
Base-Base interactions energy: -395.038
where: short stacking energy: -166.727
Base-Backbone interact. energy: 0.228
local terms energy: -172.119775
where:
bonds (distance) C4'-P energy: -37.694
bonds (distance) P-C4' energy: -31.744
flat angles C4'-P-C4' energy: -34.799
flat angles P-C4'-P energy: -22.613
tors. eta vs tors. theta energy: -45.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -564.179573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.179573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.179573 (E_RNA)
where:
Base-Base interactions energy: -374.458
where: short stacking energy: -159.260
Base-Backbone interact. energy: -0.538
local terms energy: -189.578161
where:
bonds (distance) C4'-P energy: -34.744
bonds (distance) P-C4' energy: -35.927
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -56.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.395 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -536.686594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.686594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.686594 (E_RNA)
where:
Base-Base interactions energy: -369.336
where: short stacking energy: -148.211
Base-Backbone interact. energy: -0.509
local terms energy: -166.841823
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -28.387
flat angles C4'-P-C4' energy: -38.004
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -43.676
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: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -494.245686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.245686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.245686 (E_RNA)
where:
Base-Base interactions energy: -335.441
where: short stacking energy: -140.931
Base-Backbone interact. energy: -0.097
local terms energy: -158.707983
where:
bonds (distance) C4'-P energy: -28.285
bonds (distance) P-C4' energy: -28.369
flat angles C4'-P-C4' energy: -36.645
flat angles P-C4'-P energy: -21.535
tors. eta vs tors. theta energy: -43.874
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: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -434.917991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.917991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.917991 (E_RNA)
where:
Base-Base interactions energy: -278.318
where: short stacking energy: -130.108
Base-Backbone interact. energy: -0.406
local terms energy: -156.193994
where:
bonds (distance) C4'-P energy: -37.475
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -23.800
tors. eta vs tors. theta energy: -38.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -414.357009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.357009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.357009 (E_RNA)
where:
Base-Base interactions energy: -266.108
where: short stacking energy: -126.755
Base-Backbone interact. energy: -0.860
local terms energy: -148.672394
where:
bonds (distance) C4'-P energy: -25.849
bonds (distance) P-C4' energy: -32.425
flat angles C4'-P-C4' energy: -35.430
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -35.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.284 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -386.361208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.361208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.361208 (E_RNA)
where:
Base-Base interactions energy: -257.953
where: short stacking energy: -107.596
Base-Backbone interact. energy: 3.472
local terms energy: -131.880326
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -33.058
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -26.490
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -324.696452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.696452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.696452 (E_RNA)
where:
Base-Base interactions energy: -197.122
where: short stacking energy: -81.531
Base-Backbone interact. energy: -0.333
local terms energy: -127.241634
where:
bonds (distance) C4'-P energy: -25.209
bonds (distance) P-C4' energy: -24.240
flat angles C4'-P-C4' energy: -32.462
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -25.928
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: 316
Temperature: 1.300000
Total energy: -176.037927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.037927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.037927 (E_RNA)
where:
Base-Base interactions energy: -71.260
where: short stacking energy: -44.976
Base-Backbone interact. energy: -0.539
local terms energy: -104.239403
where:
bonds (distance) C4'-P energy: -27.651
bonds (distance) P-C4' energy: -28.247
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -9.500
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: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -153.860093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.860093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.860093 (E_RNA)
where:
Base-Base interactions energy: -55.714
where: short stacking energy: -39.819
Base-Backbone interact. energy: -0.129
local terms energy: -98.016829
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -32.351
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -4.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -564.978785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.978785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.978785 (E_RNA)
where:
Base-Base interactions energy: -392.917
where: short stacking energy: -164.844
Base-Backbone interact. energy: -0.323
local terms energy: -171.738640
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -38.958
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -43.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -555.876345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.876345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.876345 (E_RNA)
where:
Base-Base interactions energy: -381.831
where: short stacking energy: -150.198
Base-Backbone interact. energy: -0.658
local terms energy: -173.387435
where:
bonds (distance) C4'-P energy: -33.320
bonds (distance) P-C4' energy: -30.391
flat angles C4'-P-C4' energy: -36.451
flat angles P-C4'-P energy: -25.350
tors. eta vs tors. theta energy: -47.876
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: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -551.379171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.379171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.379171 (E_RNA)
where:
Base-Base interactions energy: -366.619
where: short stacking energy: -163.503
Base-Backbone interact. energy: -0.182
local terms energy: -184.578360
where:
bonds (distance) C4'-P energy: -35.744
bonds (distance) P-C4' energy: -36.676
flat angles C4'-P-C4' energy: -35.698
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -51.163
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: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -524.919934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.919934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.919934 (E_RNA)
where:
Base-Base interactions energy: -351.993
where: short stacking energy: -159.587
Base-Backbone interact. energy: -0.522
local terms energy: -172.404398
where:
bonds (distance) C4'-P energy: -37.071
bonds (distance) P-C4' energy: -30.949
flat angles C4'-P-C4' energy: -41.303
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -44.095
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: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -436.343298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.343298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.343298 (E_RNA)
where:
Base-Base interactions energy: -285.725
where: short stacking energy: -124.870
Base-Backbone interact. energy: 0.256
local terms energy: -150.879441
where:
bonds (distance) C4'-P energy: -31.729
bonds (distance) P-C4' energy: -29.764
flat angles C4'-P-C4' energy: -34.401
flat angles P-C4'-P energy: -21.048
tors. eta vs tors. theta energy: -33.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.006 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -450.003130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.003130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.003130 (E_RNA)
where:
Base-Base interactions energy: -307.407
where: short stacking energy: -126.031
Base-Backbone interact. energy: 0.700
local terms energy: -143.296842
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -33.864
flat angles P-C4'-P energy: -26.388
tors. eta vs tors. theta energy: -34.981
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: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -423.559344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.559344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.559344 (E_RNA)
where:
Base-Base interactions energy: -286.051
where: short stacking energy: -129.630
Base-Backbone interact. energy: -0.089
local terms energy: -137.419205
where:
bonds (distance) C4'-P energy: -26.094
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -35.545
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -31.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -337.277411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.277411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.277411 (E_RNA)
where:
Base-Base interactions energy: -192.564
where: short stacking energy: -99.596
Base-Backbone interact. energy: -0.136
local terms energy: -144.577316
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -33.649
flat angles C4'-P-C4' energy: -32.095
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -28.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -162.780227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.780227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.780227 (E_RNA)
where:
Base-Base interactions energy: -59.191
where: short stacking energy: -43.690
Base-Backbone interact. energy: -0.418
local terms energy: -104.127844
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -33.501
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.957 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -144.017712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.017712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.017712 (E_RNA)
where:
Base-Base interactions energy: -52.871
where: short stacking energy: -42.871
Base-Backbone interact. energy: -0.696
local terms energy: -90.450617
where:
bonds (distance) C4'-P energy: -27.196
bonds (distance) P-C4' energy: -31.649
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: 6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -569.351151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.351151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.351151 (E_RNA)
where:
Base-Base interactions energy: -380.674
where: short stacking energy: -159.414
Base-Backbone interact. energy: -0.032
local terms energy: -188.645389
where:
bonds (distance) C4'-P energy: -36.466
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -35.496
flat angles P-C4'-P energy: -32.036
tors. eta vs tors. theta energy: -48.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -560.450118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.450118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.450118 (E_RNA)
where:
Base-Base interactions energy: -379.655
where: short stacking energy: -150.971
Base-Backbone interact. energy: -0.716
local terms energy: -180.078972
where:
bonds (distance) C4'-P energy: -38.728
bonds (distance) P-C4' energy: -38.157
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -25.372
tors. eta vs tors. theta energy: -41.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -560.097533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.097533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.097533 (E_RNA)
where:
Base-Base interactions energy: -374.657
where: short stacking energy: -169.938
Base-Backbone interact. energy: -0.507
local terms energy: -184.933913
where:
bonds (distance) C4'-P energy: -32.143
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -35.906
flat angles P-C4'-P energy: -30.270
tors. eta vs tors. theta energy: -52.146
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: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -508.942562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.942562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.942562 (E_RNA)
where:
Base-Base interactions energy: -349.766
where: short stacking energy: -149.580
Base-Backbone interact. energy: -0.545
local terms energy: -158.631795
where:
bonds (distance) C4'-P energy: -34.270
bonds (distance) P-C4' energy: -27.047
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -42.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -439.144605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.144605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.144605 (E_RNA)
where:
Base-Base interactions energy: -287.690
where: short stacking energy: -125.314
Base-Backbone interact. energy: -0.361
local terms energy: -151.093137
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -30.651
flat angles C4'-P-C4' energy: -27.527
flat angles P-C4'-P energy: -24.670
tors. eta vs tors. theta energy: -36.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -443.550369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.550369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.550369 (E_RNA)
where:
Base-Base interactions energy: -282.879
where: short stacking energy: -132.580
Base-Backbone interact. energy: -0.832
local terms energy: -159.839476
where:
bonds (distance) C4'-P energy: -29.908
bonds (distance) P-C4' energy: -28.092
flat angles C4'-P-C4' energy: -34.489
flat angles P-C4'-P energy: -26.910
tors. eta vs tors. theta energy: -40.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -422.974247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.974247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.974247 (E_RNA)
where:
Base-Base interactions energy: -295.567
where: short stacking energy: -125.513
Base-Backbone interact. energy: -0.436
local terms energy: -128.413262
where:
bonds (distance) C4'-P energy: -28.023
bonds (distance) P-C4' energy: -29.318
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -28.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.442 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -302.774958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.774958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.774958 (E_RNA)
where:
Base-Base interactions energy: -191.076
where: short stacking energy: -90.394
Base-Backbone interact. energy: -0.382
local terms energy: -111.317216
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -30.318
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -161.474519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.474519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.474519 (E_RNA)
where:
Base-Base interactions energy: -62.527
where: short stacking energy: -40.985
Base-Backbone interact. energy: 0.725
local terms energy: -99.809596
where:
bonds (distance) C4'-P energy: -28.423
bonds (distance) P-C4' energy: -32.432
flat angles C4'-P-C4' energy: -27.793
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: 7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.137 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -159.717036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.717036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.717036 (E_RNA)
where:
Base-Base interactions energy: -72.227
where: short stacking energy: -59.932
Base-Backbone interact. energy: -0.590
local terms energy: -86.900573
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -27.240
flat angles C4'-P-C4' energy: -24.381
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -556.156526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.156526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.156526 (E_RNA)
where:
Base-Base interactions energy: -380.921
where: short stacking energy: -155.200
Base-Backbone interact. energy: -0.841
local terms energy: -174.393969
where:
bonds (distance) C4'-P energy: -39.016
bonds (distance) P-C4' energy: -35.600
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -28.957
tors. eta vs tors. theta energy: -40.754
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: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -565.157234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.157234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.157234 (E_RNA)
where:
Base-Base interactions energy: -390.641
where: short stacking energy: -164.889
Base-Backbone interact. energy: -1.043
local terms energy: -173.472663
where:
bonds (distance) C4'-P energy: -32.366
bonds (distance) P-C4' energy: -31.299
flat angles C4'-P-C4' energy: -35.533
flat angles P-C4'-P energy: -26.035
tors. eta vs tors. theta energy: -48.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -553.024514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.024514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.024514 (E_RNA)
where:
Base-Base interactions energy: -382.456
where: short stacking energy: -173.568
Base-Backbone interact. energy: 0.487
local terms energy: -171.494926
where:
bonds (distance) C4'-P energy: -20.690
bonds (distance) P-C4' energy: -35.026
flat angles C4'-P-C4' energy: -36.538
flat angles P-C4'-P energy: -25.003
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: 0.439 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -505.134514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.134514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.134514 (E_RNA)
where:
Base-Base interactions energy: -329.576
where: short stacking energy: -149.881
Base-Backbone interact. energy: -1.032
local terms energy: -174.526194
where:
bonds (distance) C4'-P energy: -31.941
bonds (distance) P-C4' energy: -31.772
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -30.514
tors. eta vs tors. theta energy: -48.296
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: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -435.033244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.033244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.033244 (E_RNA)
where:
Base-Base interactions energy: -293.320
where: short stacking energy: -125.428
Base-Backbone interact. energy: -0.316
local terms energy: -141.397721
where:
bonds (distance) C4'-P energy: -27.896
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -40.412
flat angles P-C4'-P energy: -14.463
tors. eta vs tors. theta energy: -31.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -437.968086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.968086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.968086 (E_RNA)
where:
Base-Base interactions energy: -275.872
where: short stacking energy: -126.347
Base-Backbone interact. energy: -0.214
local terms energy: -161.882474
where:
bonds (distance) C4'-P energy: -29.548
bonds (distance) P-C4' energy: -33.471
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -24.748
tors. eta vs tors. theta energy: -38.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -397.136988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.136988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.136988 (E_RNA)
where:
Base-Base interactions energy: -268.077
where: short stacking energy: -120.854
Base-Backbone interact. energy: -0.176
local terms energy: -128.884374
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -23.243
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -33.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -291.179618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.179618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.179618 (E_RNA)
where:
Base-Base interactions energy: -173.623
where: short stacking energy: -84.410
Base-Backbone interact. energy: -0.892
local terms energy: -117.006526
where:
bonds (distance) C4'-P energy: -27.843
bonds (distance) P-C4' energy: -29.396
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.341 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -149.808860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.808860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.808860 (E_RNA)
where:
Base-Base interactions energy: -52.919
where: short stacking energy: -30.460
Base-Backbone interact. energy: -1.809
local terms energy: -95.081348
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: 4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -154.582831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.582831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.582831 (E_RNA)
where:
Base-Base interactions energy: -54.375
where: short stacking energy: -42.530
Base-Backbone interact. energy: -0.805
local terms energy: -99.402364
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -31.405
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: 3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -583.259440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.259440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.259440 (E_RNA)
where:
Base-Base interactions energy: -401.777
where: short stacking energy: -161.245
Base-Backbone interact. energy: -1.691
local terms energy: -179.791792
where:
bonds (distance) C4'-P energy: -32.323
bonds (distance) P-C4' energy: -39.709
flat angles C4'-P-C4' energy: -35.492
flat angles P-C4'-P energy: -26.435
tors. eta vs tors. theta energy: -45.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -539.765148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.765148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.765148 (E_RNA)
where:
Base-Base interactions energy: -363.900
where: short stacking energy: -150.671
Base-Backbone interact. energy: 0.236
local terms energy: -176.101843
where:
bonds (distance) C4'-P energy: -35.357
bonds (distance) P-C4' energy: -35.201
flat angles C4'-P-C4' energy: -36.076
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -45.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -525.187373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.187373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.187373 (E_RNA)
where:
Base-Base interactions energy: -356.775
where: short stacking energy: -156.433
Base-Backbone interact. energy: 0.478
local terms energy: -168.890314
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -31.690
flat angles C4'-P-C4' energy: -39.197
flat angles P-C4'-P energy: -25.914
tors. eta vs tors. theta energy: -44.361
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: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -496.813119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.813119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.813119 (E_RNA)
where:
Base-Base interactions energy: -326.140
where: short stacking energy: -139.597
Base-Backbone interact. energy: -1.022
local terms energy: -169.651164
where:
bonds (distance) C4'-P energy: -35.765
bonds (distance) P-C4' energy: -34.864
flat angles C4'-P-C4' energy: -34.640
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -39.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -422.459703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.459703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.459703 (E_RNA)
where:
Base-Base interactions energy: -281.799
where: short stacking energy: -130.141
Base-Backbone interact. energy: 0.415
local terms energy: -141.075877
where:
bonds (distance) C4'-P energy: -27.971
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -25.103
tors. eta vs tors. theta energy: -30.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -441.906428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.906428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.906428 (E_RNA)
where:
Base-Base interactions energy: -295.057
where: short stacking energy: -127.858
Base-Backbone interact. energy: 0.107
local terms energy: -146.956324
where:
bonds (distance) C4'-P energy: -31.903
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -31.019
flat angles P-C4'-P energy: -28.517
tors. eta vs tors. theta energy: -29.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -408.718598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.718598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.718598 (E_RNA)
where:
Base-Base interactions energy: -258.384
where: short stacking energy: -111.422
Base-Backbone interact. energy: -0.893
local terms energy: -149.567099
where:
bonds (distance) C4'-P energy: -30.976
bonds (distance) P-C4' energy: -34.412
flat angles C4'-P-C4' energy: -29.300
flat angles P-C4'-P energy: -23.510
tors. eta vs tors. theta energy: -31.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.125 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -304.065173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.065173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.065173 (E_RNA)
where:
Base-Base interactions energy: -167.274
where: short stacking energy: -93.427
Base-Backbone interact. energy: -1.188
local terms energy: -135.603191
where:
bonds (distance) C4'-P energy: -27.081
bonds (distance) P-C4' energy: -39.318
flat angles C4'-P-C4' energy: -30.977
flat angles P-C4'-P energy: -21.972
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -152.411217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.411217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.411217 (E_RNA)
where:
Base-Base interactions energy: -47.069
where: short stacking energy: -40.098
Base-Backbone interact. energy: 1.825
local terms energy: -107.166893
where:
bonds (distance) C4'-P energy: -34.210
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -26.625
flat angles P-C4'-P energy: -18.933
tors. eta vs tors. theta energy: 5.548
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: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -152.468978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.468978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.468978 (E_RNA)
where:
Base-Base interactions energy: -46.845
where: short stacking energy: -36.481
Base-Backbone interact. energy: -0.917
local terms energy: -104.707639
where:
bonds (distance) C4'-P energy: -33.248
bonds (distance) P-C4' energy: -31.700
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -577.631466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.631466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.631466 (E_RNA)
where:
Base-Base interactions energy: -400.427
where: short stacking energy: -179.569
Base-Backbone interact. energy: -0.523
local terms energy: -176.681625
where:
bonds (distance) C4'-P energy: -30.208
bonds (distance) P-C4' energy: -34.320
flat angles C4'-P-C4' energy: -40.373
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -47.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -542.650296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.650296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.650296 (E_RNA)
where:
Base-Base interactions energy: -374.878
where: short stacking energy: -152.276
Base-Backbone interact. energy: 0.332
local terms energy: -168.104325
where:
bonds (distance) C4'-P energy: -27.261
bonds (distance) P-C4' energy: -37.702
flat angles C4'-P-C4' energy: -35.608
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: -41.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -540.076123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.076123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.076123 (E_RNA)
where:
Base-Base interactions energy: -369.275
where: short stacking energy: -157.976
Base-Backbone interact. energy: -0.182
local terms energy: -170.938926
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -31.784
flat angles C4'-P-C4' energy: -39.777
flat angles P-C4'-P energy: -19.370
tors. eta vs tors. theta energy: -51.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.320 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -464.107271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.107271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.107271 (E_RNA)
where:
Base-Base interactions energy: -317.375
where: short stacking energy: -140.424
Base-Backbone interact. energy: -0.526
local terms energy: -146.206017
where:
bonds (distance) C4'-P energy: -27.817
bonds (distance) P-C4' energy: -32.110
flat angles C4'-P-C4' energy: -31.774
flat angles P-C4'-P energy: -16.467
tors. eta vs tors. theta energy: -38.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -479.268203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.268203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.268203 (E_RNA)
where:
Base-Base interactions energy: -321.948
where: short stacking energy: -132.249
Base-Backbone interact. energy: -0.416
local terms energy: -156.903813
where:
bonds (distance) C4'-P energy: -30.682
bonds (distance) P-C4' energy: -31.601
flat angles C4'-P-C4' energy: -32.984
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -42.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -422.441073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.441073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.441073 (E_RNA)
where:
Base-Base interactions energy: -280.472
where: short stacking energy: -118.048
Base-Backbone interact. energy: -0.137
local terms energy: -141.832671
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -26.977
flat angles C4'-P-C4' energy: -30.663
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -30.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -435.490843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.490843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.490843 (E_RNA)
where:
Base-Base interactions energy: -284.658
where: short stacking energy: -127.146
Base-Backbone interact. energy: -0.120
local terms energy: -150.712563
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -34.573
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -35.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -306.736051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.736051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.736051 (E_RNA)
where:
Base-Base interactions energy: -184.549
where: short stacking energy: -94.960
Base-Backbone interact. energy: -0.445
local terms energy: -121.742325
where:
bonds (distance) C4'-P energy: -27.187
bonds (distance) P-C4' energy: -32.851
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -23.845
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: 321
Temperature: 1.300000
Total energy: -162.274242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.274242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.274242 (E_RNA)
where:
Base-Base interactions energy: -65.607
where: short stacking energy: -57.201
Base-Backbone interact. energy: -0.346
local terms energy: -96.321258
where:
bonds (distance) C4'-P energy: -28.335
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -18.411
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: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -154.651680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.651680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.651680 (E_RNA)
where:
Base-Base interactions energy: -64.761
where: short stacking energy: -45.483
Base-Backbone interact. energy: 5.074
local terms energy: -94.964213
where:
bonds (distance) C4'-P energy: -27.864
bonds (distance) P-C4' energy: -31.118
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -16.903
tors. eta vs tors. theta energy: 5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -581.327207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.327207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.327207 (E_RNA)
where:
Base-Base interactions energy: -402.448
where: short stacking energy: -160.022
Base-Backbone interact. energy: -1.951
local terms energy: -176.928158
where:
bonds (distance) C4'-P energy: -33.344
bonds (distance) P-C4' energy: -32.353
flat angles C4'-P-C4' energy: -40.611
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -45.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -545.898842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.898842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.898842 (E_RNA)
where:
Base-Base interactions energy: -365.847
where: short stacking energy: -151.929
Base-Backbone interact. energy: -0.372
local terms energy: -179.679148
where:
bonds (distance) C4'-P energy: -30.376
bonds (distance) P-C4' energy: -33.220
flat angles C4'-P-C4' energy: -38.520
flat angles P-C4'-P energy: -27.871
tors. eta vs tors. theta energy: -49.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -525.570954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.570954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.570954 (E_RNA)
where:
Base-Base interactions energy: -347.855
where: short stacking energy: -159.582
Base-Backbone interact. energy: 0.211
local terms energy: -177.927328
where:
bonds (distance) C4'-P energy: -29.522
bonds (distance) P-C4' energy: -38.577
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -26.633
tors. eta vs tors. theta energy: -46.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -455.974086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.974086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.974086 (E_RNA)
where:
Base-Base interactions energy: -306.178
where: short stacking energy: -119.856
Base-Backbone interact. energy: -0.470
local terms energy: -149.325633
where:
bonds (distance) C4'-P energy: -30.181
bonds (distance) P-C4' energy: -32.365
flat angles C4'-P-C4' energy: -32.578
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -30.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -471.910487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.910487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.910487 (E_RNA)
where:
Base-Base interactions energy: -328.301
where: short stacking energy: -134.970
Base-Backbone interact. energy: -1.310
local terms energy: -142.298678
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -32.977
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -40.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -458.464526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.464526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.464526 (E_RNA)
where:
Base-Base interactions energy: -299.436
where: short stacking energy: -136.749
Base-Backbone interact. energy: -0.146
local terms energy: -158.881978
where:
bonds (distance) C4'-P energy: -36.171
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -29.125
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -39.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -413.877234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.877234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.877234 (E_RNA)
where:
Base-Base interactions energy: -279.168
where: short stacking energy: -110.756
Base-Backbone interact. energy: 0.923
local terms energy: -135.632615
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -33.853
flat angles C4'-P-C4' energy: -33.001
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -32.960
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: 8, replica: 2
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -293.907648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.907648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.907648 (E_RNA)
where:
Base-Base interactions energy: -166.708
where: short stacking energy: -80.963
Base-Backbone interact. energy: -0.646
local terms energy: -126.554130
where:
bonds (distance) C4'-P energy: -28.306
bonds (distance) P-C4' energy: -34.380
flat angles C4'-P-C4' energy: -34.671
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -179.598568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.598568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.598568 (E_RNA)
where:
Base-Base interactions energy: -85.647
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.377
local terms energy: -93.575051
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -28.429
flat angles P-C4'-P energy: -3.111
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -155.821265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.821265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.821265 (E_RNA)
where:
Base-Base interactions energy: -56.403
where: short stacking energy: -45.358
Base-Backbone interact. energy: 1.368
local terms energy: -100.786179
where:
bonds (distance) C4'-P energy: -37.400
bonds (distance) P-C4' energy: -33.506
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: 6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -591.478194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.478194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.478194 (E_RNA)
where:
Base-Base interactions energy: -406.457
where: short stacking energy: -163.858
Base-Backbone interact. energy: -0.255
local terms energy: -184.766335
where:
bonds (distance) C4'-P energy: -36.058
bonds (distance) P-C4' energy: -34.292
flat angles C4'-P-C4' energy: -42.723
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -48.223
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: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -554.399500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.399500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.399500 (E_RNA)
where:
Base-Base interactions energy: -375.291
where: short stacking energy: -160.743
Base-Backbone interact. energy: -0.342
local terms energy: -178.766372
where:
bonds (distance) C4'-P energy: -35.017
bonds (distance) P-C4' energy: -32.886
flat angles C4'-P-C4' energy: -36.028
flat angles P-C4'-P energy: -24.635
tors. eta vs tors. theta energy: -50.201
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: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -533.561066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.561066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.561066 (E_RNA)
where:
Base-Base interactions energy: -354.265
where: short stacking energy: -161.859
Base-Backbone interact. energy: -0.714
local terms energy: -178.581784
where:
bonds (distance) C4'-P energy: -36.306
bonds (distance) P-C4' energy: -35.791
flat angles C4'-P-C4' energy: -36.070
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: -50.435
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: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -493.822568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.822568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.822568 (E_RNA)
where:
Base-Base interactions energy: -338.397
where: short stacking energy: -132.214
Base-Backbone interact. energy: 0.427
local terms energy: -155.852445
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -37.008
flat angles C4'-P-C4' energy: -31.084
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -39.034
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: 323
Temperature: 1.100000
Total energy: -473.221405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.221405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.221405 (E_RNA)
where:
Base-Base interactions energy: -315.418
where: short stacking energy: -126.382
Base-Backbone interact. energy: -0.534
local terms energy: -157.268923
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -31.348
flat angles C4'-P-C4' energy: -34.779
flat angles P-C4'-P energy: -26.314
tors. eta vs tors. theta energy: -37.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -428.484519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.484519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.484519 (E_RNA)
where:
Base-Base interactions energy: -282.729
where: short stacking energy: -112.825
Base-Backbone interact. energy: -1.598
local terms energy: -144.158096
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -30.063
flat angles C4'-P-C4' energy: -32.995
flat angles P-C4'-P energy: -27.046
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -403.178230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.178230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.178230 (E_RNA)
where:
Base-Base interactions energy: -266.171
where: short stacking energy: -113.604
Base-Backbone interact. energy: 0.401
local terms energy: -137.408849
where:
bonds (distance) C4'-P energy: -30.231
bonds (distance) P-C4' energy: -27.705
flat angles C4'-P-C4' energy: -34.656
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -27.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -299.275480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.275480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.275480 (E_RNA)
where:
Base-Base interactions energy: -183.280
where: short stacking energy: -83.483
Base-Backbone interact. energy: -0.638
local terms energy: -115.356941
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -32.075
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -156.996156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.996156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.996156 (E_RNA)
where:
Base-Base interactions energy: -59.996
where: short stacking energy: -39.487
Base-Backbone interact. energy: 2.199
local terms energy: -99.198668
where:
bonds (distance) C4'-P energy: -27.852
bonds (distance) P-C4' energy: -35.844
flat angles C4'-P-C4' energy: -25.821
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: 4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -148.215971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.215971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.215971 (E_RNA)
where:
Base-Base interactions energy: -58.738
where: short stacking energy: -38.256
Base-Backbone interact. energy: -2.418
local terms energy: -87.059360
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -31.539
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: 0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -575.736037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.736037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.736037 (E_RNA)
where:
Base-Base interactions energy: -400.821
where: short stacking energy: -169.718
Base-Backbone interact. energy: 0.881
local terms energy: -175.795197
where:
bonds (distance) C4'-P energy: -35.513
bonds (distance) P-C4' energy: -27.070
flat angles C4'-P-C4' energy: -40.814
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -44.842
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: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -542.398855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.398855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.398855 (E_RNA)
where:
Base-Base interactions energy: -370.289
where: short stacking energy: -148.935
Base-Backbone interact. energy: -0.584
local terms energy: -171.526396
where:
bonds (distance) C4'-P energy: -34.961
bonds (distance) P-C4' energy: -35.991
flat angles C4'-P-C4' energy: -35.177
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -43.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -542.322813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.322813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.322813 (E_RNA)
where:
Base-Base interactions energy: -370.460
where: short stacking energy: -155.583
Base-Backbone interact. energy: 1.528
local terms energy: -173.390653
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -30.336
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -52.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -491.183933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.183933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.183933 (E_RNA)
where:
Base-Base interactions energy: -339.648
where: short stacking energy: -133.930
Base-Backbone interact. energy: -0.749
local terms energy: -150.786608
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -32.960
flat angles C4'-P-C4' energy: -34.459
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -35.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -459.331866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.331866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.331866 (E_RNA)
where:
Base-Base interactions energy: -305.366
where: short stacking energy: -134.661
Base-Backbone interact. energy: -0.948
local terms energy: -153.135282
where:
bonds (distance) C4'-P energy: -27.461
bonds (distance) P-C4' energy: -35.850
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -24.512
tors. eta vs tors. theta energy: -35.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -479.903505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.903505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.903505 (E_RNA)
where:
Base-Base interactions energy: -322.802
where: short stacking energy: -136.712
Base-Backbone interact. energy: -1.000
local terms energy: -156.102239
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -29.962
flat angles C4'-P-C4' energy: -38.267
flat angles P-C4'-P energy: -25.512
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: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -397.337742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.337742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.337742 (E_RNA)
where:
Base-Base interactions energy: -259.961
where: short stacking energy: -103.040
Base-Backbone interact. energy: 0.125
local terms energy: -137.502176
where:
bonds (distance) C4'-P energy: -29.841
bonds (distance) P-C4' energy: -37.264
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -27.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -285.679589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.679589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.679589 (E_RNA)
where:
Base-Base interactions energy: -173.137
where: short stacking energy: -77.112
Base-Backbone interact. energy: -1.051
local terms energy: -111.490824
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -21.144
tors. eta vs tors. theta energy: -17.681
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: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -163.898852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.898852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.898852 (E_RNA)
where:
Base-Base interactions energy: -54.369
where: short stacking energy: -51.830
Base-Backbone interact. energy: 2.350
local terms energy: -112.084301
where:
bonds (distance) C4'-P energy: -34.370
bonds (distance) P-C4' energy: -36.082
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.204 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -145.796548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.796548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.796548 (E_RNA)
where:
Base-Base interactions energy: -38.769
where: short stacking energy: -32.579
Base-Backbone interact. energy: -0.790
local terms energy: -106.237413
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -36.860
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -583.411057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.411057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.411057 (E_RNA)
where:
Base-Base interactions energy: -398.091
where: short stacking energy: -180.286
Base-Backbone interact. energy: -0.547
local terms energy: -184.772990
where:
bonds (distance) C4'-P energy: -37.848
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -38.881
flat angles P-C4'-P energy: -29.874
tors. eta vs tors. theta energy: -50.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -561.318126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.318126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.318126 (E_RNA)
where:
Base-Base interactions energy: -386.074
where: short stacking energy: -167.499
Base-Backbone interact. energy: -0.074
local terms energy: -175.170435
where:
bonds (distance) C4'-P energy: -30.032
bonds (distance) P-C4' energy: -37.792
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -55.416
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: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -538.713064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.713064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.713064 (E_RNA)
where:
Base-Base interactions energy: -374.828
where: short stacking energy: -149.967
Base-Backbone interact. energy: -0.004
local terms energy: -163.880943
where:
bonds (distance) C4'-P energy: -34.209
bonds (distance) P-C4' energy: -26.373
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -24.170
tors. eta vs tors. theta energy: -42.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -474.491009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.491009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.491009 (E_RNA)
where:
Base-Base interactions energy: -314.073
where: short stacking energy: -143.395
Base-Backbone interact. energy: -0.302
local terms energy: -160.115317
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -31.209
flat angles C4'-P-C4' energy: -38.053
flat angles P-C4'-P energy: -21.524
tors. eta vs tors. theta energy: -39.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -464.577867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.577867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.577867 (E_RNA)
where:
Base-Base interactions energy: -309.568
where: short stacking energy: -112.839
Base-Backbone interact. energy: -1.217
local terms energy: -153.792768
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -37.217
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -33.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -480.734808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.734808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.734808 (E_RNA)
where:
Base-Base interactions energy: -313.690
where: short stacking energy: -127.755
Base-Backbone interact. energy: -0.858
local terms energy: -166.186222
where:
bonds (distance) C4'-P energy: -32.235
bonds (distance) P-C4' energy: -37.554
flat angles C4'-P-C4' energy: -31.951
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -38.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -397.489882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.489882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.489882 (E_RNA)
where:
Base-Base interactions energy: -258.213
where: short stacking energy: -116.544
Base-Backbone interact. energy: 1.033
local terms energy: -140.309836
where:
bonds (distance) C4'-P energy: -37.353
bonds (distance) P-C4' energy: -29.822
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -19.595
tors. eta vs tors. theta energy: -27.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -289.449727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.449727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.449727 (E_RNA)
where:
Base-Base interactions energy: -182.699
where: short stacking energy: -88.078
Base-Backbone interact. energy: -0.693
local terms energy: -106.057866
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -34.409
flat angles C4'-P-C4' energy: -26.485
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -13.628
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: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -159.993376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.993376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.993376 (E_RNA)
where:
Base-Base interactions energy: -60.447
where: short stacking energy: -41.408
Base-Backbone interact. energy: -0.343
local terms energy: -99.203274
where:
bonds (distance) C4'-P energy: -35.833
bonds (distance) P-C4' energy: -34.496
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: 4.939
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: 325
Temperature: 1.350000
Total energy: -146.085325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.085325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.085325 (E_RNA)
where:
Base-Base interactions energy: -50.776
where: short stacking energy: -34.067
Base-Backbone interact. energy: 0.645
local terms energy: -95.954040
where:
bonds (distance) C4'-P energy: -34.267
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -19.764
tors. eta vs tors. theta energy: 9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -572.991029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.991029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.991029 (E_RNA)
where:
Base-Base interactions energy: -381.094
where: short stacking energy: -171.997
Base-Backbone interact. energy: -0.008
local terms energy: -191.888421
where:
bonds (distance) C4'-P energy: -31.108
bonds (distance) P-C4' energy: -37.408
flat angles C4'-P-C4' energy: -39.135
flat angles P-C4'-P energy: -27.545
tors. eta vs tors. theta energy: -56.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -565.125366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.125366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.125366 (E_RNA)
where:
Base-Base interactions energy: -388.613
where: short stacking energy: -162.970
Base-Backbone interact. energy: -0.676
local terms energy: -175.836564
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -36.315
flat angles C4'-P-C4' energy: -35.762
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -48.756
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: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -533.582100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.582100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.582100 (E_RNA)
where:
Base-Base interactions energy: -358.841
where: short stacking energy: -150.855
Base-Backbone interact. energy: -0.205
local terms energy: -174.536355
where:
bonds (distance) C4'-P energy: -36.715
bonds (distance) P-C4' energy: -31.736
flat angles C4'-P-C4' energy: -37.524
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: -42.364
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: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -474.050774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.050774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.050774 (E_RNA)
where:
Base-Base interactions energy: -317.439
where: short stacking energy: -141.726
Base-Backbone interact. energy: -0.701
local terms energy: -155.910689
where:
bonds (distance) C4'-P energy: -24.197
bonds (distance) P-C4' energy: -32.036
flat angles C4'-P-C4' energy: -38.089
flat angles P-C4'-P energy: -25.828
tors. eta vs tors. theta energy: -35.761
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: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -464.818647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.818647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.818647 (E_RNA)
where:
Base-Base interactions energy: -307.017
where: short stacking energy: -126.834
Base-Backbone interact. energy: -1.263
local terms energy: -156.538796
where:
bonds (distance) C4'-P energy: -34.898
bonds (distance) P-C4' energy: -32.910
flat angles C4'-P-C4' energy: -34.720
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -35.317
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: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -433.826581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.826581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.826581 (E_RNA)
where:
Base-Base interactions energy: -283.274
where: short stacking energy: -113.314
Base-Backbone interact. energy: -0.441
local terms energy: -150.111353
where:
bonds (distance) C4'-P energy: -33.765
bonds (distance) P-C4' energy: -30.271
flat angles C4'-P-C4' energy: -34.240
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -29.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -407.249912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.249912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.249912 (E_RNA)
where:
Base-Base interactions energy: -254.913
where: short stacking energy: -102.119
Base-Backbone interact. energy: -0.030
local terms energy: -152.306960
where:
bonds (distance) C4'-P energy: -28.185
bonds (distance) P-C4' energy: -27.500
flat angles C4'-P-C4' energy: -31.654
flat angles P-C4'-P energy: -28.059
tors. eta vs tors. theta energy: -36.908
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: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -303.092607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.092607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.092607 (E_RNA)
where:
Base-Base interactions energy: -193.393
where: short stacking energy: -88.507
Base-Backbone interact. energy: -1.001
local terms energy: -108.698958
where:
bonds (distance) C4'-P energy: -27.735
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -26.440
flat angles P-C4'-P energy: -13.481
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: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -168.897536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.897536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.897536 (E_RNA)
where:
Base-Base interactions energy: -66.818
where: short stacking energy: -42.895
Base-Backbone interact. energy: 0.968
local terms energy: -103.048237
where:
bonds (distance) C4'-P energy: -27.159
bonds (distance) P-C4' energy: -32.363
flat angles C4'-P-C4' energy: -31.635
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: 2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -157.845384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.845384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.845384 (E_RNA)
where:
Base-Base interactions energy: -59.924
where: short stacking energy: -40.734
Base-Backbone interact. energy: 0.221
local terms energy: -98.142429
where:
bonds (distance) C4'-P energy: -29.716
bonds (distance) P-C4' energy: -30.927
flat angles C4'-P-C4' energy: -26.817
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -575.175985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.175985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.175985 (E_RNA)
where:
Base-Base interactions energy: -390.219
where: short stacking energy: -180.010
Base-Backbone interact. energy: -0.063
local terms energy: -184.893207
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -35.769
flat angles C4'-P-C4' energy: -38.530
flat angles P-C4'-P energy: -25.633
tors. eta vs tors. theta energy: -52.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -562.536492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.536492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.536492 (E_RNA)
where:
Base-Base interactions energy: -395.476
where: short stacking energy: -162.805
Base-Backbone interact. energy: -0.177
local terms energy: -166.883538
where:
bonds (distance) C4'-P energy: -29.840
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -32.890
flat angles P-C4'-P energy: -24.373
tors. eta vs tors. theta energy: -46.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -535.787880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.787880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.787880 (E_RNA)
where:
Base-Base interactions energy: -367.017
where: short stacking energy: -144.915
Base-Backbone interact. energy: 0.273
local terms energy: -169.043813
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -39.422
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -42.971
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: 327
Temperature: 1.050000
Total energy: -506.182808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.182808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.182808 (E_RNA)
where:
Base-Base interactions energy: -342.282
where: short stacking energy: -148.285
Base-Backbone interact. energy: -0.465
local terms energy: -163.435098
where:
bonds (distance) C4'-P energy: -33.697
bonds (distance) P-C4' energy: -39.203
flat angles C4'-P-C4' energy: -32.184
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -42.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -464.293393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.293393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.293393 (E_RNA)
where:
Base-Base interactions energy: -300.118
where: short stacking energy: -131.174
Base-Backbone interact. energy: 0.053
local terms energy: -164.228624
where:
bonds (distance) C4'-P energy: -30.483
bonds (distance) P-C4' energy: -38.913
flat angles C4'-P-C4' energy: -32.078
flat angles P-C4'-P energy: -25.232
tors. eta vs tors. theta energy: -37.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -427.296706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.296706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.296706 (E_RNA)
where:
Base-Base interactions energy: -265.220
where: short stacking energy: -123.266
Base-Backbone interact. energy: 0.006
local terms energy: -162.082885
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -38.217
flat angles C4'-P-C4' energy: -31.136
flat angles P-C4'-P energy: -22.293
tors. eta vs tors. theta energy: -36.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -426.887016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.887016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.887016 (E_RNA)
where:
Base-Base interactions energy: -281.720
where: short stacking energy: -109.650
Base-Backbone interact. energy: -0.409
local terms energy: -144.757871
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -38.302
flat angles C4'-P-C4' energy: -29.654
flat angles P-C4'-P energy: -25.874
tors. eta vs tors. theta energy: -30.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -297.406005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.406005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.406005 (E_RNA)
where:
Base-Base interactions energy: -174.159
where: short stacking energy: -92.681
Base-Backbone interact. energy: 0.714
local terms energy: -123.960498
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -25.501
flat angles C4'-P-C4' energy: -33.126
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -19.993
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: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -160.387044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.387044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.387044 (E_RNA)
where:
Base-Base interactions energy: -45.986
where: short stacking energy: -34.483
Base-Backbone interact. energy: -1.035
local terms energy: -113.630682
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -38.990
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.265 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -141.642702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.642702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.642702 (E_RNA)
where:
Base-Base interactions energy: -53.011
where: short stacking energy: -37.132
Base-Backbone interact. energy: 3.563
local terms energy: -92.194295
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -35.575
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: 7.131
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: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -568.388071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.388071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.388071 (E_RNA)
where:
Base-Base interactions energy: -380.394
where: short stacking energy: -155.399
Base-Backbone interact. energy: -0.016
local terms energy: -187.977972
where:
bonds (distance) C4'-P energy: -31.169
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -39.945
flat angles P-C4'-P energy: -23.445
tors. eta vs tors. theta energy: -56.235
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: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -561.586553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.586553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.586553 (E_RNA)
where:
Base-Base interactions energy: -379.769
where: short stacking energy: -156.423
Base-Backbone interact. energy: -2.394
local terms energy: -179.424445
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -37.161
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -48.451
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: 328
Temperature: 1.000000
Total energy: -551.059907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.059907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.059907 (E_RNA)
where:
Base-Base interactions energy: -380.616
where: short stacking energy: -160.299
Base-Backbone interact. energy: -0.867
local terms energy: -170.329404
where:
bonds (distance) C4'-P energy: -31.257
bonds (distance) P-C4' energy: -30.757
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -22.297
tors. eta vs tors. theta energy: -50.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.753 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -514.916488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.916488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.916488 (E_RNA)
where:
Base-Base interactions energy: -354.098
where: short stacking energy: -149.060
Base-Backbone interact. energy: -1.740
local terms energy: -159.078638
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -31.954
flat angles C4'-P-C4' energy: -37.831
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -43.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -450.458732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.458732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.458732 (E_RNA)
where:
Base-Base interactions energy: -300.352
where: short stacking energy: -140.212
Base-Backbone interact. energy: -0.457
local terms energy: -149.688327
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -33.876
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -20.917
tors. eta vs tors. theta energy: -35.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.039 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -445.372139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.372139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.372139 (E_RNA)
where:
Base-Base interactions energy: -292.104
where: short stacking energy: -119.310
Base-Backbone interact. energy: -0.592
local terms energy: -152.676798
where:
bonds (distance) C4'-P energy: -29.887
bonds (distance) P-C4' energy: -22.189
flat angles C4'-P-C4' energy: -38.185
flat angles P-C4'-P energy: -26.768
tors. eta vs tors. theta energy: -35.647
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: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -433.918355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.918355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.918355 (E_RNA)
where:
Base-Base interactions energy: -288.446
where: short stacking energy: -138.052
Base-Backbone interact. energy: 0.569
local terms energy: -146.040889
where:
bonds (distance) C4'-P energy: -28.634
bonds (distance) P-C4' energy: -33.202
flat angles C4'-P-C4' energy: -25.073
flat angles P-C4'-P energy: -18.465
tors. eta vs tors. theta energy: -40.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -288.704349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.704349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.704349 (E_RNA)
where:
Base-Base interactions energy: -160.568
where: short stacking energy: -87.223
Base-Backbone interact. energy: -0.363
local terms energy: -127.773017
where:
bonds (distance) C4'-P energy: -29.234
bonds (distance) P-C4' energy: -37.922
flat angles C4'-P-C4' energy: -29.156
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -164.007790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.007790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.007790 (E_RNA)
where:
Base-Base interactions energy: -66.443
where: short stacking energy: -34.888
Base-Backbone interact. energy: -1.383
local terms energy: -96.181741
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -37.483
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: 8.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -149.354502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.354502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.354502 (E_RNA)
where:
Base-Base interactions energy: -65.195
where: short stacking energy: -39.075
Base-Backbone interact. energy: 1.519
local terms energy: -85.678945
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -31.092
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: 2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -555.980885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.980885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.980885 (E_RNA)
where:
Base-Base interactions energy: -376.342
where: short stacking energy: -170.050
Base-Backbone interact. energy: 0.962
local terms energy: -180.835776
where:
bonds (distance) C4'-P energy: -32.113
bonds (distance) P-C4' energy: -33.318
flat angles C4'-P-C4' energy: -37.503
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -53.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.235 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -559.900918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.900918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.900918 (E_RNA)
where:
Base-Base interactions energy: -381.972
where: short stacking energy: -149.489
Base-Backbone interact. energy: -0.285
local terms energy: -177.644437
where:
bonds (distance) C4'-P energy: -34.952
bonds (distance) P-C4' energy: -35.694
flat angles C4'-P-C4' energy: -36.573
flat angles P-C4'-P energy: -23.753
tors. eta vs tors. theta energy: -46.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -537.384432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.384432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.384432 (E_RNA)
where:
Base-Base interactions energy: -365.761
where: short stacking energy: -144.995
Base-Backbone interact. energy: -1.200
local terms energy: -170.423442
where:
bonds (distance) C4'-P energy: -26.345
bonds (distance) P-C4' energy: -31.209
flat angles C4'-P-C4' energy: -41.940
flat angles P-C4'-P energy: -27.994
tors. eta vs tors. theta energy: -42.935
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: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -527.077841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.077841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.077841 (E_RNA)
where:
Base-Base interactions energy: -358.019
where: short stacking energy: -144.172
Base-Backbone interact. energy: -0.390
local terms energy: -168.668620
where:
bonds (distance) C4'-P energy: -34.172
bonds (distance) P-C4' energy: -31.663
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -22.510
tors. eta vs tors. theta energy: -48.949
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: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -444.779231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.779231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.779231 (E_RNA)
where:
Base-Base interactions energy: -293.741
where: short stacking energy: -117.540
Base-Backbone interact. energy: -0.800
local terms energy: -150.246045
where:
bonds (distance) C4'-P energy: -30.397
bonds (distance) P-C4' energy: -33.296
flat angles C4'-P-C4' energy: -30.618
flat angles P-C4'-P energy: -22.194
tors. eta vs tors. theta energy: -33.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -453.345127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.345127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.345127 (E_RNA)
where:
Base-Base interactions energy: -308.516
where: short stacking energy: -139.939
Base-Backbone interact. energy: 0.870
local terms energy: -145.699844
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -29.012
flat angles C4'-P-C4' energy: -37.677
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -34.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -433.251005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.251005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.251005 (E_RNA)
where:
Base-Base interactions energy: -291.252
where: short stacking energy: -130.721
Base-Backbone interact. energy: -0.187
local terms energy: -141.812172
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -33.335
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -34.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -279.536367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.536367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.536367 (E_RNA)
where:
Base-Base interactions energy: -181.316
where: short stacking energy: -81.217
Base-Backbone interact. energy: 1.447
local terms energy: -99.666881
where:
bonds (distance) C4'-P energy: -31.289
bonds (distance) P-C4' energy: -27.121
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -157.825732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.825732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.825732 (E_RNA)
where:
Base-Base interactions energy: -64.725
where: short stacking energy: -35.836
Base-Backbone interact. energy: 0.901
local terms energy: -94.101009
where:
bonds (distance) C4'-P energy: -30.759
bonds (distance) P-C4' energy: -28.210
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: 0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.099 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -175.478469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.478469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.478469 (E_RNA)
where:
Base-Base interactions energy: -62.818
where: short stacking energy: -36.583
Base-Backbone interact. energy: -1.633
local terms energy: -111.027201
where:
bonds (distance) C4'-P energy: -29.983
bonds (distance) P-C4' energy: -35.783
flat angles C4'-P-C4' energy: -27.098
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -2.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -568.485822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.485822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.485822 (E_RNA)
where:
Base-Base interactions energy: -382.621
where: short stacking energy: -166.543
Base-Backbone interact. energy: -0.903
local terms energy: -184.961804
where:
bonds (distance) C4'-P energy: -28.963
bonds (distance) P-C4' energy: -39.244
flat angles C4'-P-C4' energy: -34.880
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -53.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -552.800826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.800826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.800826 (E_RNA)
where:
Base-Base interactions energy: -383.944
where: short stacking energy: -153.299
Base-Backbone interact. energy: 1.263
local terms energy: -170.120767
where:
bonds (distance) C4'-P energy: -27.537
bonds (distance) P-C4' energy: -35.915
flat angles C4'-P-C4' energy: -39.113
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -43.122
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: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -535.387962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.387962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.387962 (E_RNA)
where:
Base-Base interactions energy: -368.896
where: short stacking energy: -155.458
Base-Backbone interact. energy: 2.363
local terms energy: -168.855590
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -33.757
flat angles C4'-P-C4' energy: -35.741
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -42.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -508.488786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.488786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.488786 (E_RNA)
where:
Base-Base interactions energy: -347.059
where: short stacking energy: -139.538
Base-Backbone interact. energy: -2.385
local terms energy: -159.045212
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -35.856
flat angles C4'-P-C4' energy: -37.863
flat angles P-C4'-P energy: -26.779
tors. eta vs tors. theta energy: -33.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -444.492650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.492650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.492650 (E_RNA)
where:
Base-Base interactions energy: -292.748
where: short stacking energy: -130.481
Base-Backbone interact. energy: -0.078
local terms energy: -151.666774
where:
bonds (distance) C4'-P energy: -29.238
bonds (distance) P-C4' energy: -31.369
flat angles C4'-P-C4' energy: -38.480
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -34.492
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: 330
Temperature: 1.150000
Total energy: -420.908090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.908090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.908090 (E_RNA)
where:
Base-Base interactions energy: -268.646
where: short stacking energy: -126.751
Base-Backbone interact. energy: -0.747
local terms energy: -154.259116
where:
bonds (distance) C4'-P energy: -33.835
bonds (distance) P-C4' energy: -31.755
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -34.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.744 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -412.989335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.989335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.989335 (E_RNA)
where:
Base-Base interactions energy: -259.672
where: short stacking energy: -109.956
Base-Backbone interact. energy: 0.693
local terms energy: -154.010360
where:
bonds (distance) C4'-P energy: -34.877
bonds (distance) P-C4' energy: -36.887
flat angles C4'-P-C4' energy: -34.237
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -33.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -281.670219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.670219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.670219 (E_RNA)
where:
Base-Base interactions energy: -151.736
where: short stacking energy: -82.171
Base-Backbone interact. energy: -0.533
local terms energy: -129.964042
where:
bonds (distance) C4'-P energy: -27.449
bonds (distance) P-C4' energy: -35.225
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -23.931
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.563 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -166.032510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.032510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.032510 (E_RNA)
where:
Base-Base interactions energy: -58.361
where: short stacking energy: -42.185
Base-Backbone interact. energy: -0.335
local terms energy: -107.656952
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -32.602
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -14.138
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: 0.321 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -163.291476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.291476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.291476 (E_RNA)
where:
Base-Base interactions energy: -72.245
where: short stacking energy: -47.789
Base-Backbone interact. energy: 0.038
local terms energy: -91.084098
where:
bonds (distance) C4'-P energy: -29.377
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: 1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -575.076887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.076887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.076887 (E_RNA)
where:
Base-Base interactions energy: -386.662
where: short stacking energy: -174.609
Base-Backbone interact. energy: -0.229
local terms energy: -188.608613
where:
bonds (distance) C4'-P energy: -34.318
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -39.628
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -55.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -555.565302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.565302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.565302 (E_RNA)
where:
Base-Base interactions energy: -382.629
where: short stacking energy: -166.832
Base-Backbone interact. energy: 1.683
local terms energy: -174.619301
where:
bonds (distance) C4'-P energy: -34.069
bonds (distance) P-C4' energy: -35.759
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -48.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -534.131801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.131801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.131801 (E_RNA)
where:
Base-Base interactions energy: -365.016
where: short stacking energy: -153.054
Base-Backbone interact. energy: -0.117
local terms energy: -168.999100
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -34.492
flat angles C4'-P-C4' energy: -41.085
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -46.381
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: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -496.082180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.082180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.082180 (E_RNA)
where:
Base-Base interactions energy: -340.971
where: short stacking energy: -139.882
Base-Backbone interact. energy: 0.017
local terms energy: -155.128369
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -35.886
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -23.829
tors. eta vs tors. theta energy: -34.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -449.528259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.528259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.528259 (E_RNA)
where:
Base-Base interactions energy: -303.517
where: short stacking energy: -129.482
Base-Backbone interact. energy: -1.402
local terms energy: -144.609624
where:
bonds (distance) C4'-P energy: -24.573
bonds (distance) P-C4' energy: -35.755
flat angles C4'-P-C4' energy: -31.369
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -30.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -453.099780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.099780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.099780 (E_RNA)
where:
Base-Base interactions energy: -293.085
where: short stacking energy: -130.467
Base-Backbone interact. energy: -0.788
local terms energy: -160.363458
where:
bonds (distance) C4'-P energy: -33.009
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -30.212
flat angles P-C4'-P energy: -25.559
tors. eta vs tors. theta energy: -35.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.137 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -406.225538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.225538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.225538 (E_RNA)
where:
Base-Base interactions energy: -268.165
where: short stacking energy: -116.103
Base-Backbone interact. energy: -0.206
local terms energy: -137.853964
where:
bonds (distance) C4'-P energy: -35.864
bonds (distance) P-C4' energy: -30.062
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -29.027
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: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -287.597944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.597944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.597944 (E_RNA)
where:
Base-Base interactions energy: -165.796
where: short stacking energy: -82.621
Base-Backbone interact. energy: -0.669
local terms energy: -121.132186
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -32.679
flat angles C4'-P-C4' energy: -28.399
flat angles P-C4'-P energy: -19.363
tors. eta vs tors. theta energy: -13.147
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: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -157.789499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.789499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.789499 (E_RNA)
where:
Base-Base interactions energy: -56.569
where: short stacking energy: -56.398
Base-Backbone interact. energy: -0.607
local terms energy: -100.947071
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -30.973
flat angles C4'-P-C4' energy: -22.192
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.333 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -175.395784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.395784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.395784 (E_RNA)
where:
Base-Base interactions energy: -76.538
where: short stacking energy: -41.398
Base-Backbone interact. energy: -0.824
local terms energy: -98.034353
where:
bonds (distance) C4'-P energy: -23.412
bonds (distance) P-C4' energy: -27.771
flat angles C4'-P-C4' energy: -29.966
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: 2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -561.852371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.852371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.852371 (E_RNA)
where:
Base-Base interactions energy: -370.726
where: short stacking energy: -164.721
Base-Backbone interact. energy: -0.010
local terms energy: -191.481531
where:
bonds (distance) C4'-P energy: -32.354
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -38.177
flat angles P-C4'-P energy: -30.411
tors. eta vs tors. theta energy: -53.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.365 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -558.494465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.494465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.494465 (E_RNA)
where:
Base-Base interactions energy: -378.152
where: short stacking energy: -158.469
Base-Backbone interact. energy: 0.127
local terms energy: -180.469458
where:
bonds (distance) C4'-P energy: -31.188
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -38.942
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -50.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -527.016139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.016139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.016139 (E_RNA)
where:
Base-Base interactions energy: -362.287
where: short stacking energy: -142.995
Base-Backbone interact. energy: -0.113
local terms energy: -164.615674
where:
bonds (distance) C4'-P energy: -35.719
bonds (distance) P-C4' energy: -37.254
flat angles C4'-P-C4' energy: -36.204
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -32.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -511.123602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.123602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.123602 (E_RNA)
where:
Base-Base interactions energy: -358.055
where: short stacking energy: -143.578
Base-Backbone interact. energy: 0.693
local terms energy: -153.761932
where:
bonds (distance) C4'-P energy: -31.672
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -30.559
flat angles P-C4'-P energy: -20.802
tors. eta vs tors. theta energy: -42.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -451.881860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.881860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.881860 (E_RNA)
where:
Base-Base interactions energy: -288.543
where: short stacking energy: -129.173
Base-Backbone interact. energy: 1.297
local terms energy: -164.636196
where:
bonds (distance) C4'-P energy: -34.767
bonds (distance) P-C4' energy: -28.057
flat angles C4'-P-C4' energy: -38.434
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -38.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -425.798567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.798567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.798567 (E_RNA)
where:
Base-Base interactions energy: -284.459
where: short stacking energy: -125.114
Base-Backbone interact. energy: 1.037
local terms energy: -142.376327
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -30.485
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: -34.490
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: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -417.169193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.169193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.169193 (E_RNA)
where:
Base-Base interactions energy: -280.050
where: short stacking energy: -121.093
Base-Backbone interact. energy: -0.623
local terms energy: -136.496603
where:
bonds (distance) C4'-P energy: -30.147
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -28.233
flat angles P-C4'-P energy: -18.762
tors. eta vs tors. theta energy: -31.553
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: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -292.667902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.667902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.667902 (E_RNA)
where:
Base-Base interactions energy: -169.408
where: short stacking energy: -87.451
Base-Backbone interact. energy: -0.329
local terms energy: -122.931120
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -34.617
flat angles C4'-P-C4' energy: -29.234
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -20.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -159.051126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.051126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.051126 (E_RNA)
where:
Base-Base interactions energy: -61.847
where: short stacking energy: -44.600
Base-Backbone interact. energy: 0.136
local terms energy: -97.339746
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -26.913
flat angles P-C4'-P energy: -17.477
tors. eta vs tors. theta energy: 1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -141.096700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.096700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.096700 (E_RNA)
where:
Base-Base interactions energy: -53.041
where: short stacking energy: -39.257
Base-Backbone interact. energy: -1.414
local terms energy: -86.641774
where:
bonds (distance) C4'-P energy: -31.749
bonds (distance) P-C4' energy: -34.256
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -3.113
tors. eta vs tors. theta energy: 4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -560.910029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.910029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.910029 (E_RNA)
where:
Base-Base interactions energy: -374.124
where: short stacking energy: -182.076
Base-Backbone interact. energy: 0.127
local terms energy: -186.912986
where:
bonds (distance) C4'-P energy: -30.146
bonds (distance) P-C4' energy: -36.526
flat angles C4'-P-C4' energy: -41.169
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -59.503
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: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -564.781352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.781352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.781352 (E_RNA)
where:
Base-Base interactions energy: -395.257
where: short stacking energy: -169.755
Base-Backbone interact. energy: -1.012
local terms energy: -168.512241
where:
bonds (distance) C4'-P energy: -32.165
bonds (distance) P-C4' energy: -30.126
flat angles C4'-P-C4' energy: -35.993
flat angles P-C4'-P energy: -22.623
tors. eta vs tors. theta energy: -47.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -541.508756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.508756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.508756 (E_RNA)
where:
Base-Base interactions energy: -384.710
where: short stacking energy: -161.131
Base-Backbone interact. energy: 1.373
local terms energy: -158.171656
where:
bonds (distance) C4'-P energy: -27.205
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -36.663
flat angles P-C4'-P energy: -20.697
tors. eta vs tors. theta energy: -43.491
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: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -516.455310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.455310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.455310 (E_RNA)
where:
Base-Base interactions energy: -358.533
where: short stacking energy: -151.250
Base-Backbone interact. energy: -0.443
local terms energy: -157.479533
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -30.195
flat angles C4'-P-C4' energy: -35.210
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -45.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -472.810452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.810452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.810452 (E_RNA)
where:
Base-Base interactions energy: -316.292
where: short stacking energy: -137.324
Base-Backbone interact. energy: -0.888
local terms energy: -155.630803
where:
bonds (distance) C4'-P energy: -28.770
bonds (distance) P-C4' energy: -31.061
flat angles C4'-P-C4' energy: -38.506
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -36.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -442.070694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.070694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.070694 (E_RNA)
where:
Base-Base interactions energy: -289.112
where: short stacking energy: -128.886
Base-Backbone interact. energy: 1.366
local terms energy: -154.359248
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -29.442
flat angles P-C4'-P energy: -27.718
tors. eta vs tors. theta energy: -32.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.034 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -431.358631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.358631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.358631 (E_RNA)
where:
Base-Base interactions energy: -290.660
where: short stacking energy: -123.019
Base-Backbone interact. energy: 1.916
local terms energy: -142.614304
where:
bonds (distance) C4'-P energy: -28.181
bonds (distance) P-C4' energy: -34.795
flat angles C4'-P-C4' energy: -26.190
flat angles P-C4'-P energy: -26.649
tors. eta vs tors. theta energy: -26.800
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: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -276.197891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.197891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.197891 (E_RNA)
where:
Base-Base interactions energy: -170.174
where: short stacking energy: -65.691
Base-Backbone interact. energy: -0.270
local terms energy: -105.754154
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -30.417
flat angles C4'-P-C4' energy: -29.561
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -8.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -218.972660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.972660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.972660 (E_RNA)
where:
Base-Base interactions energy: -106.712
where: short stacking energy: -52.177
Base-Backbone interact. energy: -1.607
local terms energy: -110.653402
where:
bonds (distance) C4'-P energy: -33.963
bonds (distance) P-C4' energy: -35.003
flat angles C4'-P-C4' energy: -25.142
flat angles P-C4'-P energy: -21.284
tors. eta vs tors. theta energy: 4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -159.188838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.188838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.188838 (E_RNA)
where:
Base-Base interactions energy: -54.932
where: short stacking energy: -26.034
Base-Backbone interact. energy: 1.221
local terms energy: -105.477549
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -41.346
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: 10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -581.556702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.556702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.556702 (E_RNA)
where:
Base-Base interactions energy: -387.727
where: short stacking energy: -176.813
Base-Backbone interact. energy: -0.025
local terms energy: -193.805477
where:
bonds (distance) C4'-P energy: -37.401
bonds (distance) P-C4' energy: -34.602
flat angles C4'-P-C4' energy: -36.388
flat angles P-C4'-P energy: -26.305
tors. eta vs tors. theta energy: -59.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -563.939384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.939384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.939384 (E_RNA)
where:
Base-Base interactions energy: -388.464
where: short stacking energy: -164.114
Base-Backbone interact. energy: -0.011
local terms energy: -176.533606
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -37.347
flat angles C4'-P-C4' energy: -35.657
flat angles P-C4'-P energy: -23.987
tors. eta vs tors. theta energy: -49.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.069 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -539.712571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.712571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.712571 (E_RNA)
where:
Base-Base interactions energy: -385.635
where: short stacking energy: -159.168
Base-Backbone interact. energy: -0.113
local terms energy: -153.964478
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -32.580
flat angles C4'-P-C4' energy: -34.604
flat angles P-C4'-P energy: -19.549
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: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -514.983827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.983827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.983827 (E_RNA)
where:
Base-Base interactions energy: -351.045
where: short stacking energy: -141.398
Base-Backbone interact. energy: -0.299
local terms energy: -163.640327
where:
bonds (distance) C4'-P energy: -29.093
bonds (distance) P-C4' energy: -39.184
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -26.100
tors. eta vs tors. theta energy: -40.291
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: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -436.159233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.159233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.159233 (E_RNA)
where:
Base-Base interactions energy: -286.861
where: short stacking energy: -129.138
Base-Backbone interact. energy: -0.559
local terms energy: -148.738704
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -30.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -432.241589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.241589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.241589 (E_RNA)
where:
Base-Base interactions energy: -296.202
where: short stacking energy: -127.949
Base-Backbone interact. energy: -0.236
local terms energy: -137.550791
where:
bonds (distance) C4'-P energy: -32.599
bonds (distance) P-C4' energy: -34.687
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -29.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.747 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -414.303639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.303639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.303639 (E_RNA)
where:
Base-Base interactions energy: -273.432
where: short stacking energy: -123.317
Base-Backbone interact. energy: -0.523
local terms energy: -140.349190
where:
bonds (distance) C4'-P energy: -30.081
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -34.123
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -27.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -284.053882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.053882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.053882 (E_RNA)
where:
Base-Base interactions energy: -168.222
where: short stacking energy: -80.930
Base-Backbone interact. energy: 0.562
local terms energy: -116.393377
where:
bonds (distance) C4'-P energy: -30.698
bonds (distance) P-C4' energy: -40.102
flat angles C4'-P-C4' energy: -25.223
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -235.812087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.812087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.812087 (E_RNA)
where:
Base-Base interactions energy: -130.511
where: short stacking energy: -72.607
Base-Backbone interact. energy: -0.750
local terms energy: -104.551725
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -31.673
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -17.084
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -147.501351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.501351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.501351 (E_RNA)
where:
Base-Base interactions energy: -52.282
where: short stacking energy: -33.580
Base-Backbone interact. energy: 0.649
local terms energy: -95.868482
where:
bonds (distance) C4'-P energy: -32.507
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -26.283
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: 3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -564.655073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.655073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.655073 (E_RNA)
where:
Base-Base interactions energy: -380.970
where: short stacking energy: -171.593
Base-Backbone interact. energy: 0.021
local terms energy: -183.706259
where:
bonds (distance) C4'-P energy: -28.297
bonds (distance) P-C4' energy: -38.813
flat angles C4'-P-C4' energy: -40.053
flat angles P-C4'-P energy: -22.132
tors. eta vs tors. theta energy: -54.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -545.312432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.312432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.312432 (E_RNA)
where:
Base-Base interactions energy: -376.068
where: short stacking energy: -153.533
Base-Backbone interact. energy: -0.186
local terms energy: -169.058561
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -34.315
flat angles C4'-P-C4' energy: -39.432
flat angles P-C4'-P energy: -24.141
tors. eta vs tors. theta energy: -44.950
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: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -557.667726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.667726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.667726 (E_RNA)
where:
Base-Base interactions energy: -381.718
where: short stacking energy: -160.662
Base-Backbone interact. energy: -0.028
local terms energy: -175.921876
where:
bonds (distance) C4'-P energy: -30.108
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -29.871
tors. eta vs tors. theta energy: -48.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -498.794407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.794407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.794407 (E_RNA)
where:
Base-Base interactions energy: -336.994
where: short stacking energy: -156.005
Base-Backbone interact. energy: -1.254
local terms energy: -160.546097
where:
bonds (distance) C4'-P energy: -26.599
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -35.359
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -43.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -463.445982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.445982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.445982 (E_RNA)
where:
Base-Base interactions energy: -311.290
where: short stacking energy: -134.812
Base-Backbone interact. energy: 0.455
local terms energy: -152.610457
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -32.566
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -23.275
tors. eta vs tors. theta energy: -35.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -449.306902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.306902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.306902 (E_RNA)
where:
Base-Base interactions energy: -283.237
where: short stacking energy: -122.619
Base-Backbone interact. energy: -0.091
local terms energy: -165.979338
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -38.714
flat angles C4'-P-C4' energy: -38.551
flat angles P-C4'-P energy: -21.661
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -392.608359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.608359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.608359 (E_RNA)
where:
Base-Base interactions energy: -256.011
where: short stacking energy: -99.464
Base-Backbone interact. energy: -1.911
local terms energy: -134.686317
where:
bonds (distance) C4'-P energy: -33.263
bonds (distance) P-C4' energy: -36.204
flat angles C4'-P-C4' energy: -25.240
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -20.939
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: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -314.724311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.724311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.724311 (E_RNA)
where:
Base-Base interactions energy: -196.574
where: short stacking energy: -96.310
Base-Backbone interact. energy: -0.749
local terms energy: -117.400617
where:
bonds (distance) C4'-P energy: -29.245
bonds (distance) P-C4' energy: -29.447
flat angles C4'-P-C4' energy: -24.431
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -162.184505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.184505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.184505 (E_RNA)
where:
Base-Base interactions energy: -67.215
where: short stacking energy: -28.410
Base-Backbone interact. energy: -1.672
local terms energy: -93.296785
where:
bonds (distance) C4'-P energy: -28.167
bonds (distance) P-C4' energy: -35.068
flat angles C4'-P-C4' energy: -25.329
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: 1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -165.883382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.883382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.883382 (E_RNA)
where:
Base-Base interactions energy: -63.564
where: short stacking energy: -46.205
Base-Backbone interact. energy: -0.566
local terms energy: -102.906107
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -33.899
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: 2.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.153 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -577.500636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.500636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.500636 (E_RNA)
where:
Base-Base interactions energy: -380.331
where: short stacking energy: -170.784
Base-Backbone interact. energy: 0.804
local terms energy: -197.974022
where:
bonds (distance) C4'-P energy: -39.127
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -38.868
flat angles P-C4'-P energy: -30.524
tors. eta vs tors. theta energy: -53.380
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: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -554.542678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.542678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.542678 (E_RNA)
where:
Base-Base interactions energy: -367.050
where: short stacking energy: -155.413
Base-Backbone interact. energy: -0.191
local terms energy: -187.819750
where:
bonds (distance) C4'-P energy: -29.683
bonds (distance) P-C4' energy: -42.661
flat angles C4'-P-C4' energy: -43.594
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: -48.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.518 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -551.554205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.554205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.554205 (E_RNA)
where:
Base-Base interactions energy: -376.966
where: short stacking energy: -151.945
Base-Backbone interact. energy: 0.059
local terms energy: -174.646689
where:
bonds (distance) C4'-P energy: -36.157
bonds (distance) P-C4' energy: -36.006
flat angles C4'-P-C4' energy: -36.173
flat angles P-C4'-P energy: -20.373
tors. eta vs tors. theta energy: -45.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -510.806914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.806914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.806914 (E_RNA)
where:
Base-Base interactions energy: -353.336
where: short stacking energy: -150.211
Base-Backbone interact. energy: -0.132
local terms energy: -157.338334
where:
bonds (distance) C4'-P energy: -27.606
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -36.853
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -44.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -469.235071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.235071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.235071 (E_RNA)
where:
Base-Base interactions energy: -314.408
where: short stacking energy: -122.448
Base-Backbone interact. energy: -0.923
local terms energy: -153.903593
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -33.895
flat angles C4'-P-C4' energy: -33.037
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -35.450
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: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -438.829525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.829525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.829525 (E_RNA)
where:
Base-Base interactions energy: -297.353
where: short stacking energy: -121.503
Base-Backbone interact. energy: 1.173
local terms energy: -142.649833
where:
bonds (distance) C4'-P energy: -23.956
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -30.155
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -29.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -415.659535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.659535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.659535 (E_RNA)
where:
Base-Base interactions energy: -279.562
where: short stacking energy: -126.132
Base-Backbone interact. energy: -0.268
local terms energy: -135.829348
where:
bonds (distance) C4'-P energy: -27.921
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -22.750
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: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -291.194288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.194288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.194288 (E_RNA)
where:
Base-Base interactions energy: -178.127
where: short stacking energy: -78.666
Base-Backbone interact. energy: -0.809
local terms energy: -112.258128
where:
bonds (distance) C4'-P energy: -31.948
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -22.575
flat angles P-C4'-P energy: -18.387
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -169.771325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.771325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.771325 (E_RNA)
where:
Base-Base interactions energy: -66.706
where: short stacking energy: -28.212
Base-Backbone interact. energy: -0.052
local terms energy: -103.014056
where:
bonds (distance) C4'-P energy: -27.671
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -28.763
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: 3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -156.991565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.991565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.991565 (E_RNA)
where:
Base-Base interactions energy: -56.431
where: short stacking energy: -54.694
Base-Backbone interact. energy: -1.435
local terms energy: -99.125987
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -31.929
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: 0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -566.292230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.292230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.292230 (E_RNA)
where:
Base-Base interactions energy: -373.968
where: short stacking energy: -166.872
Base-Backbone interact. energy: -0.003
local terms energy: -192.321574
where:
bonds (distance) C4'-P energy: -36.500
bonds (distance) P-C4' energy: -31.303
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -30.457
tors. eta vs tors. theta energy: -54.296
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: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -541.627138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.627138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.627138 (E_RNA)
where:
Base-Base interactions energy: -373.926
where: short stacking energy: -162.487
Base-Backbone interact. energy: -0.785
local terms energy: -166.915740
where:
bonds (distance) C4'-P energy: -32.176
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -47.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -543.941912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.941912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.941912 (E_RNA)
where:
Base-Base interactions energy: -372.432
where: short stacking energy: -157.415
Base-Backbone interact. energy: 0.669
local terms energy: -172.178961
where:
bonds (distance) C4'-P energy: -37.438
bonds (distance) P-C4' energy: -31.392
flat angles C4'-P-C4' energy: -30.634
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -45.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -532.693590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.693590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.693590 (E_RNA)
where:
Base-Base interactions energy: -364.214
where: short stacking energy: -154.814
Base-Backbone interact. energy: 0.163
local terms energy: -168.642892
where:
bonds (distance) C4'-P energy: -32.650
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -32.479
flat angles P-C4'-P energy: -24.531
tors. eta vs tors. theta energy: -48.694
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: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -469.044219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.044219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.044219 (E_RNA)
where:
Base-Base interactions energy: -319.429
where: short stacking energy: -136.951
Base-Backbone interact. energy: -0.323
local terms energy: -150.366888
where:
bonds (distance) C4'-P energy: -29.946
bonds (distance) P-C4' energy: -29.313
flat angles C4'-P-C4' energy: -33.190
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -36.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.075 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -429.299106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.299106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.299106 (E_RNA)
where:
Base-Base interactions energy: -278.554
where: short stacking energy: -115.388
Base-Backbone interact. energy: 2.236
local terms energy: -153.511655
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -34.338
flat angles C4'-P-C4' energy: -35.908
flat angles P-C4'-P energy: -20.455
tors. eta vs tors. theta energy: -34.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.531 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -409.383997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.383997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.383997 (E_RNA)
where:
Base-Base interactions energy: -274.950
where: short stacking energy: -128.326
Base-Backbone interact. energy: 1.549
local terms energy: -135.982863
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -30.614
flat angles C4'-P-C4' energy: -26.811
flat angles P-C4'-P energy: -19.608
tors. eta vs tors. theta energy: -29.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -274.842564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.842564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.842564 (E_RNA)
where:
Base-Base interactions energy: -160.364
where: short stacking energy: -88.933
Base-Backbone interact. energy: -1.951
local terms energy: -112.527979
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -28.418
flat angles C4'-P-C4' energy: -26.110
flat angles P-C4'-P energy: -17.560
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -180.758458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.758458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.758458 (E_RNA)
where:
Base-Base interactions energy: -94.491
where: short stacking energy: -67.855
Base-Backbone interact. energy: -0.535
local terms energy: -85.732438
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -25.797
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -163.289959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.289959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.289959 (E_RNA)
where:
Base-Base interactions energy: -61.284
where: short stacking energy: -34.265
Base-Backbone interact. energy: -0.534
local terms energy: -101.471809
where:
bonds (distance) C4'-P energy: -26.078
bonds (distance) P-C4' energy: -32.347
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -0.000
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: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -567.949306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.949306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.949306 (E_RNA)
where:
Base-Base interactions energy: -376.068
where: short stacking energy: -168.856
Base-Backbone interact. energy: -0.014
local terms energy: -191.866490
where:
bonds (distance) C4'-P energy: -33.372
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -29.951
tors. eta vs tors. theta energy: -53.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -538.978533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.978533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.978533 (E_RNA)
where:
Base-Base interactions energy: -372.054
where: short stacking energy: -145.408
Base-Backbone interact. energy: -0.448
local terms energy: -167.162062
where:
bonds (distance) C4'-P energy: -28.463
bonds (distance) P-C4' energy: -39.772
flat angles C4'-P-C4' energy: -32.212
flat angles P-C4'-P energy: -20.869
tors. eta vs tors. theta energy: -45.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.685 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -554.943885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.943885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.943885 (E_RNA)
where:
Base-Base interactions energy: -388.142
where: short stacking energy: -154.909
Base-Backbone interact. energy: -0.656
local terms energy: -166.146557
where:
bonds (distance) C4'-P energy: -36.523
bonds (distance) P-C4' energy: -34.123
flat angles C4'-P-C4' energy: -32.624
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -41.911
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: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -525.587748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.587748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.587748 (E_RNA)
where:
Base-Base interactions energy: -362.810
where: short stacking energy: -149.313
Base-Backbone interact. energy: -0.885
local terms energy: -162.071909
where:
bonds (distance) C4'-P energy: -25.634
bonds (distance) P-C4' energy: -29.009
flat angles C4'-P-C4' energy: -37.062
flat angles P-C4'-P energy: -27.470
tors. eta vs tors. theta energy: -42.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.180 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -453.877601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.877601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.877601 (E_RNA)
where:
Base-Base interactions energy: -305.563
where: short stacking energy: -130.286
Base-Backbone interact. energy: -0.494
local terms energy: -147.819832
where:
bonds (distance) C4'-P energy: -32.036
bonds (distance) P-C4' energy: -30.854
flat angles C4'-P-C4' energy: -35.488
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -32.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -424.050249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.050249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.050249 (E_RNA)
where:
Base-Base interactions energy: -283.318
where: short stacking energy: -119.654
Base-Backbone interact. energy: -0.123
local terms energy: -140.609668
where:
bonds (distance) C4'-P energy: -33.593
bonds (distance) P-C4' energy: -32.768
flat angles C4'-P-C4' energy: -31.545
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -27.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -399.834885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.834885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.834885 (E_RNA)
where:
Base-Base interactions energy: -256.013
where: short stacking energy: -111.114
Base-Backbone interact. energy: -1.238
local terms energy: -142.583974
where:
bonds (distance) C4'-P energy: -26.034
bonds (distance) P-C4' energy: -30.162
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: -28.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -291.621189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.621189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.621189 (E_RNA)
where:
Base-Base interactions energy: -171.422
where: short stacking energy: -85.177
Base-Backbone interact. energy: -1.029
local terms energy: -119.170423
where:
bonds (distance) C4'-P energy: -33.610
bonds (distance) P-C4' energy: -27.922
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -21.868
tors. eta vs tors. theta energy: -13.234
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: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -193.122604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.122604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.122604 (E_RNA)
where:
Base-Base interactions energy: -92.435
where: short stacking energy: -53.989
Base-Backbone interact. energy: 3.472
local terms energy: -104.159662
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -4.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -148.372202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.372202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.372202 (E_RNA)
where:
Base-Base interactions energy: -54.349
where: short stacking energy: -41.064
Base-Backbone interact. energy: -0.554
local terms energy: -93.468496
where:
bonds (distance) C4'-P energy: -24.646
bonds (distance) P-C4' energy: -34.433
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: 3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -575.242390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.242390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.242390 (E_RNA)
where:
Base-Base interactions energy: -388.917
where: short stacking energy: -172.270
Base-Backbone interact. energy: -0.668
local terms energy: -185.657681
where:
bonds (distance) C4'-P energy: -34.992
bonds (distance) P-C4' energy: -34.851
flat angles C4'-P-C4' energy: -39.405
flat angles P-C4'-P energy: -20.336
tors. eta vs tors. theta energy: -56.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -570.017046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.017046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.017046 (E_RNA)
where:
Base-Base interactions energy: -381.195
where: short stacking energy: -168.117
Base-Backbone interact. energy: -0.122
local terms energy: -188.699996
where:
bonds (distance) C4'-P energy: -35.040
bonds (distance) P-C4' energy: -39.180
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -27.022
tors. eta vs tors. theta energy: -46.602
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: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -528.949663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.949663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.949663 (E_RNA)
where:
Base-Base interactions energy: -359.781
where: short stacking energy: -145.212
Base-Backbone interact. energy: -1.038
local terms energy: -168.130521
where:
bonds (distance) C4'-P energy: -36.051
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -36.858
flat angles P-C4'-P energy: -20.575
tors. eta vs tors. theta energy: -44.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -523.044803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.044803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.044803 (E_RNA)
where:
Base-Base interactions energy: -355.884
where: short stacking energy: -159.319
Base-Backbone interact. energy: -1.345
local terms energy: -165.920367
where:
bonds (distance) C4'-P energy: -25.564
bonds (distance) P-C4' energy: -39.014
flat angles C4'-P-C4' energy: -33.745
flat angles P-C4'-P energy: -21.933
tors. eta vs tors. theta energy: -45.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.105 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -444.104071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.104071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.104071 (E_RNA)
where:
Base-Base interactions energy: -288.990
where: short stacking energy: -131.228
Base-Backbone interact. energy: -0.159
local terms energy: -156.119463
where:
bonds (distance) C4'-P energy: -33.279
bonds (distance) P-C4' energy: -34.881
flat angles C4'-P-C4' energy: -34.730
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -36.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.164 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -418.796815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.796815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.796815 (E_RNA)
where:
Base-Base interactions energy: -284.150
where: short stacking energy: -126.915
Base-Backbone interact. energy: -0.379
local terms energy: -134.331357
where:
bonds (distance) C4'-P energy: -27.001
bonds (distance) P-C4' energy: -31.900
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -25.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.063 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -414.801265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.801265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.801265 (E_RNA)
where:
Base-Base interactions energy: -274.450
where: short stacking energy: -120.104
Base-Backbone interact. energy: 0.541
local terms energy: -140.892492
where:
bonds (distance) C4'-P energy: -34.913
bonds (distance) P-C4' energy: -29.690
flat angles C4'-P-C4' energy: -32.881
flat angles P-C4'-P energy: -13.141
tors. eta vs tors. theta energy: -30.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -294.675135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.675135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.675135 (E_RNA)
where:
Base-Base interactions energy: -177.534
where: short stacking energy: -83.605
Base-Backbone interact. energy: -2.227
local terms energy: -114.913838
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -22.531
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -9.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -167.427868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.427868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.427868 (E_RNA)
where:
Base-Base interactions energy: -53.912
where: short stacking energy: -48.604
Base-Backbone interact. energy: -0.076
local terms energy: -113.440122
where:
bonds (distance) C4'-P energy: -30.190
bonds (distance) P-C4' energy: -31.231
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -150.554626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.554626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.554626 (E_RNA)
where:
Base-Base interactions energy: -50.194
where: short stacking energy: -44.081
Base-Backbone interact. energy: 0.552
local terms energy: -101.905976
where:
bonds (distance) C4'-P energy: -32.131
bonds (distance) P-C4' energy: -30.878
flat angles C4'-P-C4' energy: -29.420
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: 5.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.993 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -589.312006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.312006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.312006 (E_RNA)
where:
Base-Base interactions energy: -395.112
where: short stacking energy: -175.642
Base-Backbone interact. energy: -0.579
local terms energy: -193.620993
where:
bonds (distance) C4'-P energy: -32.164
bonds (distance) P-C4' energy: -40.257
flat angles C4'-P-C4' energy: -42.371
flat angles P-C4'-P energy: -24.091
tors. eta vs tors. theta energy: -54.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -573.867660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.867660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.867660 (E_RNA)
where:
Base-Base interactions energy: -390.364
where: short stacking energy: -165.939
Base-Backbone interact. energy: -1.259
local terms energy: -182.244578
where:
bonds (distance) C4'-P energy: -34.623
bonds (distance) P-C4' energy: -33.051
flat angles C4'-P-C4' energy: -37.860
flat angles P-C4'-P energy: -26.901
tors. eta vs tors. theta energy: -49.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -544.588570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.588570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.588570 (E_RNA)
where:
Base-Base interactions energy: -370.073
where: short stacking energy: -143.566
Base-Backbone interact. energy: -0.486
local terms energy: -174.267089
where:
bonds (distance) C4'-P energy: -32.137
bonds (distance) P-C4' energy: -34.867
flat angles C4'-P-C4' energy: -36.968
flat angles P-C4'-P energy: -21.740
tors. eta vs tors. theta energy: -48.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.237 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -526.390083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.390083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.390083 (E_RNA)
where:
Base-Base interactions energy: -352.420
where: short stacking energy: -143.395
Base-Backbone interact. energy: -0.764
local terms energy: -173.205956
where:
bonds (distance) C4'-P energy: -34.624
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -36.797
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -41.715
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: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -459.975361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.975361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.975361 (E_RNA)
where:
Base-Base interactions energy: -302.117
where: short stacking energy: -130.883
Base-Backbone interact. energy: -1.242
local terms energy: -156.617171
where:
bonds (distance) C4'-P energy: -34.299
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -30.003
flat angles P-C4'-P energy: -22.375
tors. eta vs tors. theta energy: -37.863
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: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -404.896384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.896384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.896384 (E_RNA)
where:
Base-Base interactions energy: -274.998
where: short stacking energy: -119.510
Base-Backbone interact. energy: 0.790
local terms energy: -130.688328
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -36.396
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -27.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -411.782010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.782010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.782010 (E_RNA)
where:
Base-Base interactions energy: -262.828
where: short stacking energy: -128.711
Base-Backbone interact. energy: -0.995
local terms energy: -147.959094
where:
bonds (distance) C4'-P energy: -30.300
bonds (distance) P-C4' energy: -34.595
flat angles C4'-P-C4' energy: -30.372
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: -29.198
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: 8, replica: 2
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -317.329682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.329682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.329682 (E_RNA)
where:
Base-Base interactions energy: -197.736
where: short stacking energy: -92.496
Base-Backbone interact. energy: 0.186
local terms energy: -119.779784
where:
bonds (distance) C4'-P energy: -27.746
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -18.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -163.361158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.361158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.361158 (E_RNA)
where:
Base-Base interactions energy: -69.812
where: short stacking energy: -40.567
Base-Backbone interact. energy: -0.462
local terms energy: -93.087555
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -29.617
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -150.864188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.864188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.864188 (E_RNA)
where:
Base-Base interactions energy: -52.172
where: short stacking energy: -35.576
Base-Backbone interact. energy: -0.605
local terms energy: -98.086417
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -28.822
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -20.379
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: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -567.567455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.567455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.567455 (E_RNA)
where:
Base-Base interactions energy: -378.521
where: short stacking energy: -169.208
Base-Backbone interact. energy: -0.094
local terms energy: -188.952486
where:
bonds (distance) C4'-P energy: -32.128
bonds (distance) P-C4' energy: -35.232
flat angles C4'-P-C4' energy: -39.114
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -58.180
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: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -551.854613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.854613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.854613 (E_RNA)
where:
Base-Base interactions energy: -377.487
where: short stacking energy: -156.921
Base-Backbone interact. energy: -0.459
local terms energy: -173.908807
where:
bonds (distance) C4'-P energy: -36.619
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -25.150
tors. eta vs tors. theta energy: -49.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -556.785612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.785612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.785612 (E_RNA)
where:
Base-Base interactions energy: -394.026
where: short stacking energy: -158.434
Base-Backbone interact. energy: 0.183
local terms energy: -162.942488
where:
bonds (distance) C4'-P energy: -29.106
bonds (distance) P-C4' energy: -31.496
flat angles C4'-P-C4' energy: -34.718
flat angles P-C4'-P energy: -23.425
tors. eta vs tors. theta energy: -44.197
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: 341
Temperature: 1.050000
Total energy: -522.097269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.097269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.097269 (E_RNA)
where:
Base-Base interactions energy: -364.591
where: short stacking energy: -155.348
Base-Backbone interact. energy: 1.243
local terms energy: -158.749041
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -34.988
flat angles C4'-P-C4' energy: -25.808
flat angles P-C4'-P energy: -20.420
tors. eta vs tors. theta energy: -45.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -456.536049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.536049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.536049 (E_RNA)
where:
Base-Base interactions energy: -306.321
where: short stacking energy: -130.261
Base-Backbone interact. energy: 0.593
local terms energy: -150.808492
where:
bonds (distance) C4'-P energy: -35.882
bonds (distance) P-C4' energy: -26.977
flat angles C4'-P-C4' energy: -33.314
flat angles P-C4'-P energy: -23.998
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: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -440.518181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.518181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.518181 (E_RNA)
where:
Base-Base interactions energy: -298.548
where: short stacking energy: -125.462
Base-Backbone interact. energy: -0.029
local terms energy: -141.940576
where:
bonds (distance) C4'-P energy: -25.355
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -34.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -396.536000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.536000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.536000 (E_RNA)
where:
Base-Base interactions energy: -262.641
where: short stacking energy: -104.236
Base-Backbone interact. energy: -0.382
local terms energy: -133.513637
where:
bonds (distance) C4'-P energy: -31.249
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -31.614
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -22.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -277.229288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.229288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.229288 (E_RNA)
where:
Base-Base interactions energy: -154.701
where: short stacking energy: -78.035
Base-Backbone interact. energy: -0.279
local terms energy: -122.249038
where:
bonds (distance) C4'-P energy: -28.975
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -29.391
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -152.201921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.201921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.201921 (E_RNA)
where:
Base-Base interactions energy: -65.237
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.703
local terms energy: -86.262100
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -148.630769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.630769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.630769 (E_RNA)
where:
Base-Base interactions energy: -64.764
where: short stacking energy: -47.455
Base-Backbone interact. energy: -0.218
local terms energy: -83.649092
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -34.058
flat angles C4'-P-C4' energy: -22.063
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -560.366347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.366347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.366347 (E_RNA)
where:
Base-Base interactions energy: -376.829
where: short stacking energy: -165.729
Base-Backbone interact. energy: -0.008
local terms energy: -183.586440
where:
bonds (distance) C4'-P energy: -35.004
bonds (distance) P-C4' energy: -35.551
flat angles C4'-P-C4' energy: -36.884
flat angles P-C4'-P energy: -25.843
tors. eta vs tors. theta energy: -50.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.057 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -555.016887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.016887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.016887 (E_RNA)
where:
Base-Base interactions energy: -370.102
where: short stacking energy: -161.780
Base-Backbone interact. energy: -0.164
local terms energy: -184.751109
where:
bonds (distance) C4'-P energy: -31.029
bonds (distance) P-C4' energy: -33.154
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -29.433
tors. eta vs tors. theta energy: -53.865
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: 342
Temperature: 1.000000
Total energy: -543.897707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.897707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.897707 (E_RNA)
where:
Base-Base interactions energy: -377.716
where: short stacking energy: -146.013
Base-Backbone interact. energy: -0.387
local terms energy: -165.794417
where:
bonds (distance) C4'-P energy: -27.619
bonds (distance) P-C4' energy: -37.572
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -44.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -544.316216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.316216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.316216 (E_RNA)
where:
Base-Base interactions energy: -374.964
where: short stacking energy: -163.067
Base-Backbone interact. energy: -0.436
local terms energy: -168.915656
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -32.800
flat angles C4'-P-C4' energy: -39.060
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -48.335
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: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -441.734866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.734866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.734866 (E_RNA)
where:
Base-Base interactions energy: -293.403
where: short stacking energy: -134.737
Base-Backbone interact. energy: 1.069
local terms energy: -149.401214
where:
bonds (distance) C4'-P energy: -27.287
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -37.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -440.564846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.564846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.564846 (E_RNA)
where:
Base-Base interactions energy: -304.717
where: short stacking energy: -137.000
Base-Backbone interact. energy: 0.407
local terms energy: -136.254409
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -31.451
flat angles C4'-P-C4' energy: -36.433
flat angles P-C4'-P energy: -20.258
tors. eta vs tors. theta energy: -30.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -399.390244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.390244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.390244 (E_RNA)
where:
Base-Base interactions energy: -272.500
where: short stacking energy: -119.623
Base-Backbone interact. energy: -0.755
local terms energy: -126.135577
where:
bonds (distance) C4'-P energy: -25.124
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -33.109
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -25.173
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: 8, replica: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -283.007217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.007217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.007217 (E_RNA)
where:
Base-Base interactions energy: -148.941
where: short stacking energy: -80.533
Base-Backbone interact. energy: 0.115
local terms energy: -135.150487
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -38.472
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -20.518
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.969 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -159.465816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.465816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.465816 (E_RNA)
where:
Base-Base interactions energy: -56.146
where: short stacking energy: -35.047
Base-Backbone interact. energy: -1.471
local terms energy: -101.849512
where:
bonds (distance) C4'-P energy: -27.803
bonds (distance) P-C4' energy: -31.372
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: 0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -151.849622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.849622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.849622 (E_RNA)
where:
Base-Base interactions energy: -64.418
where: short stacking energy: -40.857
Base-Backbone interact. energy: 2.143
local terms energy: -89.744307
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -26.351
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: 2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.170 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -562.339096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.339096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.339096 (E_RNA)
where:
Base-Base interactions energy: -388.708
where: short stacking energy: -164.861
Base-Backbone interact. energy: -0.698
local terms energy: -172.932861
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -35.994
flat angles C4'-P-C4' energy: -39.604
flat angles P-C4'-P energy: -21.633
tors. eta vs tors. theta energy: -51.648
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: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -557.211089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.211089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.211089 (E_RNA)
where:
Base-Base interactions energy: -374.431
where: short stacking energy: -158.187
Base-Backbone interact. energy: -0.881
local terms energy: -181.899567
where:
bonds (distance) C4'-P energy: -35.875
bonds (distance) P-C4' energy: -38.705
flat angles C4'-P-C4' energy: -37.776
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -49.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -542.264903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.264903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.264903 (E_RNA)
where:
Base-Base interactions energy: -365.879
where: short stacking energy: -159.859
Base-Backbone interact. energy: -0.187
local terms energy: -176.198863
where:
bonds (distance) C4'-P energy: -39.300
bonds (distance) P-C4' energy: -32.939
flat angles C4'-P-C4' energy: -33.652
flat angles P-C4'-P energy: -23.449
tors. eta vs tors. theta energy: -46.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -554.726967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.726967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.726967 (E_RNA)
where:
Base-Base interactions energy: -373.076
where: short stacking energy: -163.092
Base-Backbone interact. energy: -0.486
local terms energy: -181.164849
where:
bonds (distance) C4'-P energy: -33.908
bonds (distance) P-C4' energy: -31.778
flat angles C4'-P-C4' energy: -35.201
flat angles P-C4'-P energy: -25.842
tors. eta vs tors. theta energy: -54.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -467.755689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.755689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.755689 (E_RNA)
where:
Base-Base interactions energy: -307.953
where: short stacking energy: -132.175
Base-Backbone interact. energy: -0.217
local terms energy: -161.213464
where:
bonds (distance) C4'-P energy: -30.907
bonds (distance) P-C4' energy: -35.114
flat angles C4'-P-C4' energy: -38.337
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -38.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.627 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -422.459069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.459069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.459069 (E_RNA)
where:
Base-Base interactions energy: -266.452
where: short stacking energy: -110.045
Base-Backbone interact. energy: 0.504
local terms energy: -156.510408
where:
bonds (distance) C4'-P energy: -33.046
bonds (distance) P-C4' energy: -32.709
flat angles C4'-P-C4' energy: -39.573
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -27.273
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: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -406.319296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.319296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.319296 (E_RNA)
where:
Base-Base interactions energy: -259.273
where: short stacking energy: -108.195
Base-Backbone interact. energy: -0.492
local terms energy: -146.554167
where:
bonds (distance) C4'-P energy: -36.691
bonds (distance) P-C4' energy: -31.644
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -28.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -277.965558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.965558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.965558 (E_RNA)
where:
Base-Base interactions energy: -162.294
where: short stacking energy: -73.971
Base-Backbone interact. energy: -1.275
local terms energy: -114.396233
where:
bonds (distance) C4'-P energy: -32.479
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -35.280
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -6.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -205.030620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.030620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.030620 (E_RNA)
where:
Base-Base interactions energy: -86.483
where: short stacking energy: -60.361
Base-Backbone interact. energy: 0.447
local terms energy: -118.994661
where:
bonds (distance) C4'-P energy: -31.680
bonds (distance) P-C4' energy: -26.269
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -29.624
tors. eta vs tors. theta energy: -10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -144.114444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.114444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.114444 (E_RNA)
where:
Base-Base interactions energy: -42.650
where: short stacking energy: -36.709
Base-Backbone interact. energy: 0.184
local terms energy: -101.648353
where:
bonds (distance) C4'-P energy: -25.504
bonds (distance) P-C4' energy: -31.533
flat angles C4'-P-C4' energy: -22.054
flat angles P-C4'-P energy: -19.033
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -557.461962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.461962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.461962 (E_RNA)
where:
Base-Base interactions energy: -383.035
where: short stacking energy: -157.643
Base-Backbone interact. energy: 0.140
local terms energy: -174.566856
where:
bonds (distance) C4'-P energy: -28.986
bonds (distance) P-C4' energy: -37.719
flat angles C4'-P-C4' energy: -35.028
flat angles P-C4'-P energy: -25.653
tors. eta vs tors. theta energy: -47.180
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: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -555.914403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.914403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.914403 (E_RNA)
where:
Base-Base interactions energy: -374.522
where: short stacking energy: -154.549
Base-Backbone interact. energy: -0.580
local terms energy: -180.812254
where:
bonds (distance) C4'-P energy: -36.791
bonds (distance) P-C4' energy: -34.446
flat angles C4'-P-C4' energy: -37.999
flat angles P-C4'-P energy: -26.342
tors. eta vs tors. theta energy: -45.234
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: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -571.116800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.116800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.116800 (E_RNA)
where:
Base-Base interactions energy: -381.126
where: short stacking energy: -178.102
Base-Backbone interact. energy: -0.986
local terms energy: -189.005191
where:
bonds (distance) C4'-P energy: -35.974
bonds (distance) P-C4' energy: -33.404
flat angles C4'-P-C4' energy: -41.004
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -57.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -525.265502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.265502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.265502 (E_RNA)
where:
Base-Base interactions energy: -358.391
where: short stacking energy: -159.249
Base-Backbone interact. energy: -0.081
local terms energy: -166.793934
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -28.844
flat angles C4'-P-C4' energy: -34.993
flat angles P-C4'-P energy: -24.725
tors. eta vs tors. theta energy: -49.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -415.628635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.628635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.628635 (E_RNA)
where:
Base-Base interactions energy: -287.179
where: short stacking energy: -127.110
Base-Backbone interact. energy: -0.343
local terms energy: -128.107076
where:
bonds (distance) C4'-P energy: -26.919
bonds (distance) P-C4' energy: -23.749
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -14.381
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: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -437.479357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.479357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.479357 (E_RNA)
where:
Base-Base interactions energy: -282.395
where: short stacking energy: -125.295
Base-Backbone interact. energy: -0.071
local terms energy: -155.012979
where:
bonds (distance) C4'-P energy: -32.848
bonds (distance) P-C4' energy: -28.640
flat angles C4'-P-C4' energy: -35.718
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -35.798
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: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -404.560227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.560227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.560227 (E_RNA)
where:
Base-Base interactions energy: -262.025
where: short stacking energy: -116.586
Base-Backbone interact. energy: 2.266
local terms energy: -144.801071
where:
bonds (distance) C4'-P energy: -28.074
bonds (distance) P-C4' energy: -30.151
flat angles C4'-P-C4' energy: -35.547
flat angles P-C4'-P energy: -22.887
tors. eta vs tors. theta energy: -28.142
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: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -278.988173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.988173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.988173 (E_RNA)
where:
Base-Base interactions energy: -172.339
where: short stacking energy: -83.213
Base-Backbone interact. energy: 1.320
local terms energy: -107.969213
where:
bonds (distance) C4'-P energy: -23.087
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -26.870
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -160.544947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.544947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.544947 (E_RNA)
where:
Base-Base interactions energy: -69.450
where: short stacking energy: -42.748
Base-Backbone interact. energy: -0.688
local terms energy: -90.407163
where:
bonds (distance) C4'-P energy: -27.307
bonds (distance) P-C4' energy: -28.753
flat angles C4'-P-C4' energy: -27.297
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -143.272598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.272598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.272598 (E_RNA)
where:
Base-Base interactions energy: -56.314
where: short stacking energy: -35.008
Base-Backbone interact. energy: 2.689
local terms energy: -89.647752
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -36.612
flat angles C4'-P-C4' energy: -29.430
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: 11.947
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: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -577.650002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.650002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.650002 (E_RNA)
where:
Base-Base interactions energy: -400.498
where: short stacking energy: -170.220
Base-Backbone interact. energy: 0.167
local terms energy: -177.319121
where:
bonds (distance) C4'-P energy: -37.290
bonds (distance) P-C4' energy: -39.310
flat angles C4'-P-C4' energy: -32.035
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -47.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -573.495932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.495932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.495932 (E_RNA)
where:
Base-Base interactions energy: -390.578
where: short stacking energy: -178.654
Base-Backbone interact. energy: -0.413
local terms energy: -182.505414
where:
bonds (distance) C4'-P energy: -32.804
bonds (distance) P-C4' energy: -33.962
flat angles C4'-P-C4' energy: -34.503
flat angles P-C4'-P energy: -25.194
tors. eta vs tors. theta energy: -56.043
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: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -539.233723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.233723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.233723 (E_RNA)
where:
Base-Base interactions energy: -373.801
where: short stacking energy: -155.284
Base-Backbone interact. energy: -0.274
local terms energy: -165.158359
where:
bonds (distance) C4'-P energy: -30.064
bonds (distance) P-C4' energy: -35.170
flat angles C4'-P-C4' energy: -36.010
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -42.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -513.870521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.870521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.870521 (E_RNA)
where:
Base-Base interactions energy: -346.098
where: short stacking energy: -147.280
Base-Backbone interact. energy: -0.909
local terms energy: -167.412644
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -32.977
flat angles C4'-P-C4' energy: -37.289
flat angles P-C4'-P energy: -23.902
tors. eta vs tors. theta energy: -49.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.550 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -440.928114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.928114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.928114 (E_RNA)
where:
Base-Base interactions energy: -295.861
where: short stacking energy: -118.321
Base-Backbone interact. energy: -1.545
local terms energy: -143.982994
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: -28.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.461 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -438.897944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.897944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.897944 (E_RNA)
where:
Base-Base interactions energy: -296.511
where: short stacking energy: -131.593
Base-Backbone interact. energy: -0.493
local terms energy: -141.893416
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -29.867
flat angles C4'-P-C4' energy: -32.681
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -34.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -408.048674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.048674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.048674 (E_RNA)
where:
Base-Base interactions energy: -276.636
where: short stacking energy: -127.741
Base-Backbone interact. energy: 0.072
local terms energy: -132.099197
where:
bonds (distance) C4'-P energy: -29.734
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -29.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.615 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -322.806955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.806955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.806955 (E_RNA)
where:
Base-Base interactions energy: -200.100
where: short stacking energy: -90.048
Base-Backbone interact. energy: 0.046
local terms energy: -122.752407
where:
bonds (distance) C4'-P energy: -30.275
bonds (distance) P-C4' energy: -30.721
flat angles C4'-P-C4' energy: -32.050
flat angles P-C4'-P energy: -2.922
tors. eta vs tors. theta energy: -26.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -159.508740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.508740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.508740 (E_RNA)
where:
Base-Base interactions energy: -67.336
where: short stacking energy: -39.971
Base-Backbone interact. energy: -0.146
local terms energy: -92.026007
where:
bonds (distance) C4'-P energy: -31.532
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: 0.494
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: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -167.938912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.938912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.938912 (E_RNA)
where:
Base-Base interactions energy: -85.974
where: short stacking energy: -43.230
Base-Backbone interact. energy: -0.748
local terms energy: -82.567720
where:
bonds (distance) C4'-P energy: -32.411
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -21.611
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: 3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.350 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -587.738286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.738286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.738286 (E_RNA)
where:
Base-Base interactions energy: -396.305
where: short stacking energy: -180.098
Base-Backbone interact. energy: -0.089
local terms energy: -191.343901
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -32.064
flat angles C4'-P-C4' energy: -39.365
flat angles P-C4'-P energy: -25.766
tors. eta vs tors. theta energy: -58.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -553.182988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.182988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.182988 (E_RNA)
where:
Base-Base interactions energy: -391.510
where: short stacking energy: -169.013
Base-Backbone interact. energy: -0.074
local terms energy: -161.599450
where:
bonds (distance) C4'-P energy: -37.101
bonds (distance) P-C4' energy: -32.431
flat angles C4'-P-C4' energy: -30.278
flat angles P-C4'-P energy: -18.681
tors. eta vs tors. theta energy: -43.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -540.603508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.603508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.603508 (E_RNA)
where:
Base-Base interactions energy: -367.558
where: short stacking energy: -153.545
Base-Backbone interact. energy: -1.777
local terms energy: -171.268495
where:
bonds (distance) C4'-P energy: -35.683
bonds (distance) P-C4' energy: -35.338
flat angles C4'-P-C4' energy: -33.747
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -51.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -541.470216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.470216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.470216 (E_RNA)
where:
Base-Base interactions energy: -366.905
where: short stacking energy: -157.809
Base-Backbone interact. energy: 0.167
local terms energy: -174.732381
where:
bonds (distance) C4'-P energy: -30.928
bonds (distance) P-C4' energy: -36.235
flat angles C4'-P-C4' energy: -38.492
flat angles P-C4'-P energy: -25.666
tors. eta vs tors. theta energy: -43.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -445.416960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.416960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.416960 (E_RNA)
where:
Base-Base interactions energy: -293.207
where: short stacking energy: -117.665
Base-Backbone interact. energy: -0.493
local terms energy: -151.717368
where:
bonds (distance) C4'-P energy: -31.874
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -27.439
tors. eta vs tors. theta energy: -36.940
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: 6, replica: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -438.976074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.976074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.976074 (E_RNA)
where:
Base-Base interactions energy: -289.912
where: short stacking energy: -142.746
Base-Backbone interact. energy: -0.580
local terms energy: -148.484138
where:
bonds (distance) C4'-P energy: -35.154
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -24.638
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -40.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -427.103877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.103877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.103877 (E_RNA)
where:
Base-Base interactions energy: -280.522
where: short stacking energy: -117.409
Base-Backbone interact. energy: -0.252
local terms energy: -146.329622
where:
bonds (distance) C4'-P energy: -32.648
bonds (distance) P-C4' energy: -31.899
flat angles C4'-P-C4' energy: -33.057
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -27.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -291.560067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.560067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.560067 (E_RNA)
where:
Base-Base interactions energy: -162.792
where: short stacking energy: -77.403
Base-Backbone interact. energy: -1.030
local terms energy: -127.737438
where:
bonds (distance) C4'-P energy: -33.464
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -27.527
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -178.785339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.785339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.785339 (E_RNA)
where:
Base-Base interactions energy: -75.575
where: short stacking energy: -39.310
Base-Backbone interact. energy: -3.312
local terms energy: -99.897975
where:
bonds (distance) C4'-P energy: -31.488
bonds (distance) P-C4' energy: -31.646
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: 5.648
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: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -146.137512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.137512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.137512 (E_RNA)
where:
Base-Base interactions energy: -53.604
where: short stacking energy: -38.912
Base-Backbone interact. energy: -0.781
local terms energy: -91.752198
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -31.046
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: 2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -590.611510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.611510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.611510 (E_RNA)
where:
Base-Base interactions energy: -403.317
where: short stacking energy: -178.075
Base-Backbone interact. energy: -0.049
local terms energy: -187.245788
where:
bonds (distance) C4'-P energy: -35.707
bonds (distance) P-C4' energy: -31.523
flat angles C4'-P-C4' energy: -35.451
flat angles P-C4'-P energy: -24.850
tors. eta vs tors. theta energy: -59.715
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: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -561.491272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.491272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.491272 (E_RNA)
where:
Base-Base interactions energy: -385.874
where: short stacking energy: -178.249
Base-Backbone interact. energy: 1.751
local terms energy: -177.369241
where:
bonds (distance) C4'-P energy: -33.770
bonds (distance) P-C4' energy: -29.622
flat angles C4'-P-C4' energy: -38.507
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -51.772
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: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -551.800867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.800867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.800867 (E_RNA)
where:
Base-Base interactions energy: -372.012
where: short stacking energy: -154.673
Base-Backbone interact. energy: -1.696
local terms energy: -179.221257
where:
bonds (distance) C4'-P energy: -32.580
bonds (distance) P-C4' energy: -36.181
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -51.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.128 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -538.176405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.176405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.176405 (E_RNA)
where:
Base-Base interactions energy: -366.815
where: short stacking energy: -153.371
Base-Backbone interact. energy: 0.732
local terms energy: -172.093652
where:
bonds (distance) C4'-P energy: -32.665
bonds (distance) P-C4' energy: -31.615
flat angles C4'-P-C4' energy: -37.363
flat angles P-C4'-P energy: -22.865
tors. eta vs tors. theta energy: -47.585
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: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -440.581956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.581956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.581956 (E_RNA)
where:
Base-Base interactions energy: -291.951
where: short stacking energy: -112.340
Base-Backbone interact. energy: 0.057
local terms energy: -148.687946
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -35.081
flat angles C4'-P-C4' energy: -32.973
flat angles P-C4'-P energy: -22.694
tors. eta vs tors. theta energy: -26.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -436.552215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.552215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.552215 (E_RNA)
where:
Base-Base interactions energy: -284.147
where: short stacking energy: -137.227
Base-Backbone interact. energy: -0.288
local terms energy: -152.117674
where:
bonds (distance) C4'-P energy: -24.886
bonds (distance) P-C4' energy: -35.444
flat angles C4'-P-C4' energy: -29.961
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -42.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -411.779828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.779828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.779828 (E_RNA)
where:
Base-Base interactions energy: -267.831
where: short stacking energy: -108.846
Base-Backbone interact. energy: 3.990
local terms energy: -147.938969
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -31.982
flat angles C4'-P-C4' energy: -36.875
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -30.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -269.920774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.920774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.920774 (E_RNA)
where:
Base-Base interactions energy: -152.922
where: short stacking energy: -68.453
Base-Backbone interact. energy: -0.335
local terms energy: -116.664044
where:
bonds (distance) C4'-P energy: -29.593
bonds (distance) P-C4' energy: -29.207
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -18.186
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -161.520102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.520102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.520102 (E_RNA)
where:
Base-Base interactions energy: -60.217
where: short stacking energy: -49.652
Base-Backbone interact. energy: -0.598
local terms energy: -100.705413
where:
bonds (distance) C4'-P energy: -35.237
bonds (distance) P-C4' energy: -31.983
flat angles C4'-P-C4' energy: -19.931
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: 1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -137.760044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.760044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.760044 (E_RNA)
where:
Base-Base interactions energy: -51.378
where: short stacking energy: -33.185
Base-Backbone interact. energy: -0.106
local terms energy: -86.793522
where:
bonds (distance) C4'-P energy: -28.698
bonds (distance) P-C4' energy: -33.554
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: 7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.518 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -567.634598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.634598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.634598 (E_RNA)
where:
Base-Base interactions energy: -376.917
where: short stacking energy: -165.708
Base-Backbone interact. energy: -0.233
local terms energy: -190.485378
where:
bonds (distance) C4'-P energy: -36.728
bonds (distance) P-C4' energy: -36.945
flat angles C4'-P-C4' energy: -34.614
flat angles P-C4'-P energy: -29.368
tors. eta vs tors. theta energy: -52.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -568.049700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.049700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.049700 (E_RNA)
where:
Base-Base interactions energy: -392.858
where: short stacking energy: -179.765
Base-Backbone interact. energy: -0.048
local terms energy: -175.143452
where:
bonds (distance) C4'-P energy: -33.878
bonds (distance) P-C4' energy: -27.567
flat angles C4'-P-C4' energy: -40.114
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -57.111
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: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -543.107268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.107268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.107268 (E_RNA)
where:
Base-Base interactions energy: -374.001
where: short stacking energy: -152.636
Base-Backbone interact. energy: 1.084
local terms energy: -170.190436
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -34.936
flat angles C4'-P-C4' energy: -37.936
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -43.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -520.395642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.395642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.395642 (E_RNA)
where:
Base-Base interactions energy: -358.590
where: short stacking energy: -144.005
Base-Backbone interact. energy: -0.221
local terms energy: -161.584890
where:
bonds (distance) C4'-P energy: -30.874
bonds (distance) P-C4' energy: -28.839
flat angles C4'-P-C4' energy: -39.260
flat angles P-C4'-P energy: -20.338
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: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -470.396080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.396080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.396080 (E_RNA)
where:
Base-Base interactions energy: -315.238
where: short stacking energy: -144.568
Base-Backbone interact. energy: -0.143
local terms energy: -155.015131
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -31.956
flat angles C4'-P-C4' energy: -35.224
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -44.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -442.622488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.622488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.622488 (E_RNA)
where:
Base-Base interactions energy: -291.697
where: short stacking energy: -124.388
Base-Backbone interact. energy: -1.528
local terms energy: -149.397574
where:
bonds (distance) C4'-P energy: -33.498
bonds (distance) P-C4' energy: -30.315
flat angles C4'-P-C4' energy: -32.599
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -30.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -418.147133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.147133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.147133 (E_RNA)
where:
Base-Base interactions energy: -276.921
where: short stacking energy: -126.469
Base-Backbone interact. energy: -0.406
local terms energy: -140.820472
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -31.917
flat angles C4'-P-C4' energy: -33.350
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -30.141
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: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -297.972237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.972237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.972237 (E_RNA)
where:
Base-Base interactions energy: -169.846
where: short stacking energy: -84.925
Base-Backbone interact. energy: -1.326
local terms energy: -126.799892
where:
bonds (distance) C4'-P energy: -28.983
bonds (distance) P-C4' energy: -36.484
flat angles C4'-P-C4' energy: -24.585
flat angles P-C4'-P energy: -19.659
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: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -164.138300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.138300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.138300 (E_RNA)
where:
Base-Base interactions energy: -74.405
where: short stacking energy: -38.743
Base-Backbone interact. energy: 0.226
local terms energy: -90.317366
where:
bonds (distance) C4'-P energy: -32.206
bonds (distance) P-C4' energy: -34.880
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: 11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.358 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -157.232455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.232455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.232455 (E_RNA)
where:
Base-Base interactions energy: -49.913
where: short stacking energy: -48.356
Base-Backbone interact. energy: -0.522
local terms energy: -106.797869
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -32.056
flat angles C4'-P-C4' energy: -25.616
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -5.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -561.429198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.429198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.429198 (E_RNA)
where:
Base-Base interactions energy: -383.225
where: short stacking energy: -161.145
Base-Backbone interact. energy: -0.752
local terms energy: -177.452762
where:
bonds (distance) C4'-P energy: -33.573
bonds (distance) P-C4' energy: -30.712
flat angles C4'-P-C4' energy: -39.374
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: -46.281
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: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -560.167364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.167364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.167364 (E_RNA)
where:
Base-Base interactions energy: -387.056
where: short stacking energy: -155.010
Base-Backbone interact. energy: -0.117
local terms energy: -172.994109
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -31.702
flat angles C4'-P-C4' energy: -35.661
flat angles P-C4'-P energy: -24.831
tors. eta vs tors. theta energy: -45.186
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: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -571.851565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.851565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.851565 (E_RNA)
where:
Base-Base interactions energy: -392.296
where: short stacking energy: -165.155
Base-Backbone interact. energy: -0.168
local terms energy: -179.387574
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -32.726
flat angles C4'-P-C4' energy: -35.899
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -54.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -535.561777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.561777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.561777 (E_RNA)
where:
Base-Base interactions energy: -366.371
where: short stacking energy: -145.902
Base-Backbone interact. energy: -0.048
local terms energy: -169.142087
where:
bonds (distance) C4'-P energy: -36.154
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -35.163
flat angles P-C4'-P energy: -29.624
tors. eta vs tors. theta energy: -43.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -454.753301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.753301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.753301 (E_RNA)
where:
Base-Base interactions energy: -310.082
where: short stacking energy: -127.253
Base-Backbone interact. energy: -0.228
local terms energy: -144.443438
where:
bonds (distance) C4'-P energy: -28.434
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -31.698
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -30.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -434.319597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.319597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.319597 (E_RNA)
where:
Base-Base interactions energy: -287.441
where: short stacking energy: -119.827
Base-Backbone interact. energy: -0.743
local terms energy: -146.135162
where:
bonds (distance) C4'-P energy: -36.638
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -33.601
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -28.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -439.581559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.581559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.581559 (E_RNA)
where:
Base-Base interactions energy: -286.440
where: short stacking energy: -122.305
Base-Backbone interact. energy: -0.500
local terms energy: -152.642122
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -35.313
flat angles C4'-P-C4' energy: -29.611
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -39.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -298.378556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.378556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.378556 (E_RNA)
where:
Base-Base interactions energy: -172.957
where: short stacking energy: -91.213
Base-Backbone interact. energy: -0.445
local terms energy: -126.773958
where:
bonds (distance) C4'-P energy: -29.580
bonds (distance) P-C4' energy: -30.587
flat angles C4'-P-C4' energy: -32.073
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.797 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -180.525609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.525609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.525609 (E_RNA)
where:
Base-Base interactions energy: -74.838
where: short stacking energy: -33.645
Base-Backbone interact. energy: 0.675
local terms energy: -106.363196
where:
bonds (distance) C4'-P energy: -35.542
bonds (distance) P-C4' energy: -22.708
flat angles C4'-P-C4' energy: -26.824
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -166.158441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.158441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.158441 (E_RNA)
where:
Base-Base interactions energy: -63.714
where: short stacking energy: -50.463
Base-Backbone interact. energy: -0.523
local terms energy: -101.921977
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -581.415808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.415808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.415808 (E_RNA)
where:
Base-Base interactions energy: -396.022
where: short stacking energy: -167.898
Base-Backbone interact. energy: -0.607
local terms energy: -184.786911
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -37.258
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -50.697
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: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -570.199885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.199885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.199885 (E_RNA)
where:
Base-Base interactions energy: -390.419
where: short stacking energy: -164.501
Base-Backbone interact. energy: -0.070
local terms energy: -179.711613
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -28.808
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -29.439
tors. eta vs tors. theta energy: -52.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -522.286200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.286200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.286200 (E_RNA)
where:
Base-Base interactions energy: -371.642
where: short stacking energy: -143.733
Base-Backbone interact. energy: -0.709
local terms energy: -149.935472
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -31.259
flat angles C4'-P-C4' energy: -28.248
flat angles P-C4'-P energy: -22.778
tors. eta vs tors. theta energy: -39.002
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: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -543.547587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.547587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.547587 (E_RNA)
where:
Base-Base interactions energy: -374.126
where: short stacking energy: -168.271
Base-Backbone interact. energy: -0.150
local terms energy: -169.271009
where:
bonds (distance) C4'-P energy: -24.178
bonds (distance) P-C4' energy: -28.186
flat angles C4'-P-C4' energy: -39.348
flat angles P-C4'-P energy: -22.484
tors. eta vs tors. theta energy: -55.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -460.830220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.830220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.830220 (E_RNA)
where:
Base-Base interactions energy: -293.274
where: short stacking energy: -131.893
Base-Backbone interact. energy: -1.181
local terms energy: -166.374661
where:
bonds (distance) C4'-P energy: -31.787
bonds (distance) P-C4' energy: -41.966
flat angles C4'-P-C4' energy: -33.222
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -39.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -406.321852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.321852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.321852 (E_RNA)
where:
Base-Base interactions energy: -260.623
where: short stacking energy: -116.908
Base-Backbone interact. energy: -0.316
local terms energy: -145.382650
where:
bonds (distance) C4'-P energy: -32.111
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -29.212
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -29.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -446.571556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.571556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.571556 (E_RNA)
where:
Base-Base interactions energy: -299.031
where: short stacking energy: -123.632
Base-Backbone interact. energy: -0.246
local terms energy: -147.294537
where:
bonds (distance) C4'-P energy: -30.229
bonds (distance) P-C4' energy: -35.578
flat angles C4'-P-C4' energy: -33.877
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -33.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -279.326632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.326632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.326632 (E_RNA)
where:
Base-Base interactions energy: -149.214
where: short stacking energy: -67.984
Base-Backbone interact. energy: 1.536
local terms energy: -131.649441
where:
bonds (distance) C4'-P energy: -35.979
bonds (distance) P-C4' energy: -34.865
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -16.284
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -172.993002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.993002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.993002 (E_RNA)
where:
Base-Base interactions energy: -64.976
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.554
local terms energy: -107.462679
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -32.838
flat angles C4'-P-C4' energy: -28.488
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -142.253352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.253352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.253352 (E_RNA)
where:
Base-Base interactions energy: -50.148
where: short stacking energy: -45.963
Base-Backbone interact. energy: 5.393
local terms energy: -97.498348
where:
bonds (distance) C4'-P energy: -25.822
bonds (distance) P-C4' energy: -30.838
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: 2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -572.331544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.331544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.331544 (E_RNA)
where:
Base-Base interactions energy: -384.619
where: short stacking energy: -165.640
Base-Backbone interact. energy: -1.433
local terms energy: -186.279513
where:
bonds (distance) C4'-P energy: -33.785
bonds (distance) P-C4' energy: -39.649
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -49.295
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: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -548.791123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.791123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.791123 (E_RNA)
where:
Base-Base interactions energy: -392.218
where: short stacking energy: -147.840
Base-Backbone interact. energy: -0.270
local terms energy: -156.302924
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -28.215
flat angles C4'-P-C4' energy: -33.430
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -40.782
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: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -557.554916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.554916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.554916 (E_RNA)
where:
Base-Base interactions energy: -371.043
where: short stacking energy: -156.532
Base-Backbone interact. energy: -1.055
local terms energy: -185.456425
where:
bonds (distance) C4'-P energy: -37.427
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -41.494
flat angles P-C4'-P energy: -22.893
tors. eta vs tors. theta energy: -51.659
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: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -565.999573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.999573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.999573 (E_RNA)
where:
Base-Base interactions energy: -392.008
where: short stacking energy: -180.258
Base-Backbone interact. energy: -0.111
local terms energy: -173.881214
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -32.377
flat angles C4'-P-C4' energy: -35.349
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -55.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -468.525231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.525231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.525231 (E_RNA)
where:
Base-Base interactions energy: -312.476
where: short stacking energy: -145.849
Base-Backbone interact. energy: -0.321
local terms energy: -155.727772
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -37.133
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -18.118
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: 6, replica: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -443.607587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.607587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.607587 (E_RNA)
where:
Base-Base interactions energy: -287.429
where: short stacking energy: -125.483
Base-Backbone interact. energy: -0.412
local terms energy: -155.766393
where:
bonds (distance) C4'-P energy: -37.038
bonds (distance) P-C4' energy: -27.747
flat angles C4'-P-C4' energy: -32.788
flat angles P-C4'-P energy: -26.648
tors. eta vs tors. theta energy: -31.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -400.069973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.069973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.069973 (E_RNA)
where:
Base-Base interactions energy: -261.048
where: short stacking energy: -116.202
Base-Backbone interact. energy: -0.128
local terms energy: -138.894512
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -32.127
flat angles P-C4'-P energy: -17.983
tors. eta vs tors. theta energy: -26.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -291.977381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.977381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.977381 (E_RNA)
where:
Base-Base interactions energy: -181.240
where: short stacking energy: -81.927
Base-Backbone interact. energy: 0.517
local terms energy: -111.254073
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -32.709
flat angles C4'-P-C4' energy: -26.426
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -12.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -164.915959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.915959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.915959 (E_RNA)
where:
Base-Base interactions energy: -47.912
where: short stacking energy: -47.049
Base-Backbone interact. energy: -0.311
local terms energy: -116.692791
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -39.515
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -164.306785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.306785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.306785 (E_RNA)
where:
Base-Base interactions energy: -59.916
where: short stacking energy: -51.361
Base-Backbone interact. energy: -0.987
local terms energy: -103.445263
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.041 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -568.516213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.516213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.516213 (E_RNA)
where:
Base-Base interactions energy: -393.948
where: short stacking energy: -168.432
Base-Backbone interact. energy: -0.040
local terms energy: -174.528527
where:
bonds (distance) C4'-P energy: -33.189
bonds (distance) P-C4' energy: -37.559
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -22.345
tors. eta vs tors. theta energy: -45.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -552.641273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.641273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.641273 (E_RNA)
where:
Base-Base interactions energy: -366.970
where: short stacking energy: -156.556
Base-Backbone interact. energy: -0.632
local terms energy: -185.038861
where:
bonds (distance) C4'-P energy: -36.123
bonds (distance) P-C4' energy: -38.338
flat angles C4'-P-C4' energy: -38.258
flat angles P-C4'-P energy: -26.694
tors. eta vs tors. theta energy: -45.627
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: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -570.815450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.815450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.815450 (E_RNA)
where:
Base-Base interactions energy: -380.287
where: short stacking energy: -161.911
Base-Backbone interact. energy: -0.565
local terms energy: -189.962808
where:
bonds (distance) C4'-P energy: -30.020
bonds (distance) P-C4' energy: -37.916
flat angles C4'-P-C4' energy: -38.796
flat angles P-C4'-P energy: -27.988
tors. eta vs tors. theta energy: -55.244
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: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -504.899980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.899980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.899980 (E_RNA)
where:
Base-Base interactions energy: -335.500
where: short stacking energy: -150.665
Base-Backbone interact. energy: -0.382
local terms energy: -169.018141
where:
bonds (distance) C4'-P energy: -33.103
bonds (distance) P-C4' energy: -32.413
flat angles C4'-P-C4' energy: -36.011
flat angles P-C4'-P energy: -25.226
tors. eta vs tors. theta energy: -42.265
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: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -477.252035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.252035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.252035 (E_RNA)
where:
Base-Base interactions energy: -310.957
where: short stacking energy: -139.429
Base-Backbone interact. energy: -0.077
local terms energy: -166.217516
where:
bonds (distance) C4'-P energy: -30.475
bonds (distance) P-C4' energy: -31.343
flat angles C4'-P-C4' energy: -38.982
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -39.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -456.573371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.573371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.573371 (E_RNA)
where:
Base-Base interactions energy: -296.884
where: short stacking energy: -146.037
Base-Backbone interact. energy: -0.397
local terms energy: -159.293044
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -34.897
flat angles C4'-P-C4' energy: -32.861
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -43.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -410.497467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.497467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.497467 (E_RNA)
where:
Base-Base interactions energy: -283.657
where: short stacking energy: -120.952
Base-Backbone interact. energy: -0.315
local terms energy: -126.554805
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -37.590
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -29.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.029 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -276.045441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.045441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.045441 (E_RNA)
where:
Base-Base interactions energy: -142.569
where: short stacking energy: -59.668
Base-Backbone interact. energy: -1.355
local terms energy: -132.121689
where:
bonds (distance) C4'-P energy: -34.481
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -26.735
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -12.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -183.087466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.087466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.087466 (E_RNA)
where:
Base-Base interactions energy: -89.607
where: short stacking energy: -50.050
Base-Backbone interact. energy: -0.808
local terms energy: -92.672942
where:
bonds (distance) C4'-P energy: -27.409
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: 2.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -157.958218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.958218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.958218 (E_RNA)
where:
Base-Base interactions energy: -50.659
where: short stacking energy: -48.722
Base-Backbone interact. energy: -0.583
local terms energy: -108.763200
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -29.358
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.046 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -567.940360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.940360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.940360 (E_RNA)
where:
Base-Base interactions energy: -388.615
where: short stacking energy: -163.570
Base-Backbone interact. energy: -0.440
local terms energy: -178.885304
where:
bonds (distance) C4'-P energy: -31.312
bonds (distance) P-C4' energy: -35.286
flat angles C4'-P-C4' energy: -33.453
flat angles P-C4'-P energy: -27.254
tors. eta vs tors. theta energy: -51.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -584.931961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.931961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.931961 (E_RNA)
where:
Base-Base interactions energy: -402.919
where: short stacking energy: -180.336
Base-Backbone interact. energy: -0.420
local terms energy: -181.893640
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -33.375
flat angles C4'-P-C4' energy: -36.708
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -57.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.301 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -551.206584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.206584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.206584 (E_RNA)
where:
Base-Base interactions energy: -368.060
where: short stacking energy: -148.644
Base-Backbone interact. energy: -1.116
local terms energy: -182.030408
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -37.319
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: -47.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -509.292798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.292798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.292798 (E_RNA)
where:
Base-Base interactions energy: -338.538
where: short stacking energy: -157.260
Base-Backbone interact. energy: -0.017
local terms energy: -170.738146
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -33.509
flat angles C4'-P-C4' energy: -37.153
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -52.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -479.803913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.803913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.803913 (E_RNA)
where:
Base-Base interactions energy: -330.559
where: short stacking energy: -143.381
Base-Backbone interact. energy: -0.424
local terms energy: -148.820253
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -31.497
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -30.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -416.025132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.025132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.025132 (E_RNA)
where:
Base-Base interactions energy: -275.769
where: short stacking energy: -117.268
Base-Backbone interact. energy: -0.192
local terms energy: -140.063827
where:
bonds (distance) C4'-P energy: -27.419
bonds (distance) P-C4' energy: -33.036
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -22.325
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -436.190769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.190769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.190769 (E_RNA)
where:
Base-Base interactions energy: -301.088
where: short stacking energy: -118.283
Base-Backbone interact. energy: -0.362
local terms energy: -134.740601
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -35.296
flat angles C4'-P-C4' energy: -26.877
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -29.458
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: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -306.470377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.470377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.470377 (E_RNA)
where:
Base-Base interactions energy: -191.495
where: short stacking energy: -83.420
Base-Backbone interact. energy: -1.389
local terms energy: -113.587046
where:
bonds (distance) C4'-P energy: -30.038
bonds (distance) P-C4' energy: -29.959
flat angles C4'-P-C4' energy: -24.121
flat angles P-C4'-P energy: -19.608
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: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -163.913078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.913078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.913078 (E_RNA)
where:
Base-Base interactions energy: -64.664
where: short stacking energy: -47.170
Base-Backbone interact. energy: 5.155
local terms energy: -104.404223
where:
bonds (distance) C4'-P energy: -31.109
bonds (distance) P-C4' energy: -31.432
flat angles C4'-P-C4' energy: -24.765
flat angles P-C4'-P energy: -17.450
tors. eta vs tors. theta energy: 0.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -167.790797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.790797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.790797 (E_RNA)
where:
Base-Base interactions energy: -81.794
where: short stacking energy: -49.977
Base-Backbone interact. energy: 0.043
local terms energy: -86.282808
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -18.459
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: 0.243 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -588.249873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.249873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.249873 (E_RNA)
where:
Base-Base interactions energy: -409.594
where: short stacking energy: -169.093
Base-Backbone interact. energy: -0.781
local terms energy: -177.875467
where:
bonds (distance) C4'-P energy: -32.658
bonds (distance) P-C4' energy: -29.223
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -28.619
tors. eta vs tors. theta energy: -57.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -552.647763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.647763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.647763 (E_RNA)
where:
Base-Base interactions energy: -386.414
where: short stacking energy: -169.944
Base-Backbone interact. energy: -0.322
local terms energy: -166.827299
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -32.604
flat angles C4'-P-C4' energy: -35.595
flat angles P-C4'-P energy: -28.978
tors. eta vs tors. theta energy: -45.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.915 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -535.974937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.974937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.974937 (E_RNA)
where:
Base-Base interactions energy: -360.405
where: short stacking energy: -145.357
Base-Backbone interact. energy: -1.893
local terms energy: -173.676431
where:
bonds (distance) C4'-P energy: -38.046
bonds (distance) P-C4' energy: -36.394
flat angles C4'-P-C4' energy: -35.223
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -41.600
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: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -526.466420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.466420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.466420 (E_RNA)
where:
Base-Base interactions energy: -356.438
where: short stacking energy: -166.702
Base-Backbone interact. energy: 0.928
local terms energy: -170.956070
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -33.088
flat angles C4'-P-C4' energy: -35.962
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -52.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -460.666945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.666945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.666945 (E_RNA)
where:
Base-Base interactions energy: -306.440
where: short stacking energy: -136.356
Base-Backbone interact. energy: -0.247
local terms energy: -153.979679
where:
bonds (distance) C4'-P energy: -31.738
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -35.720
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -34.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -424.837245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.837245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.837245 (E_RNA)
where:
Base-Base interactions energy: -267.942
where: short stacking energy: -114.638
Base-Backbone interact. energy: -0.197
local terms energy: -156.698553
where:
bonds (distance) C4'-P energy: -31.040
bonds (distance) P-C4' energy: -37.260
flat angles C4'-P-C4' energy: -36.712
flat angles P-C4'-P energy: -24.260
tors. eta vs tors. theta energy: -27.428
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: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -424.003506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.003506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.003506 (E_RNA)
where:
Base-Base interactions energy: -267.530
where: short stacking energy: -113.934
Base-Backbone interact. energy: -0.078
local terms energy: -156.395114
where:
bonds (distance) C4'-P energy: -29.579
bonds (distance) P-C4' energy: -34.647
flat angles C4'-P-C4' energy: -34.080
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: -35.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -357.320829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.320829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.320829 (E_RNA)
where:
Base-Base interactions energy: -225.104
where: short stacking energy: -105.956
Base-Backbone interact. energy: 1.719
local terms energy: -133.935565
where:
bonds (distance) C4'-P energy: -23.995
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -30.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -154.631671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.631671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.631671 (E_RNA)
where:
Base-Base interactions energy: -49.604
where: short stacking energy: -46.339
Base-Backbone interact. energy: 0.086
local terms energy: -105.114161
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -22.400
flat angles P-C4'-P energy: -21.471
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -143.736953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.736953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.736953 (E_RNA)
where:
Base-Base interactions energy: -42.096
where: short stacking energy: -36.607
Base-Backbone interact. energy: 0.229
local terms energy: -101.869252
where:
bonds (distance) C4'-P energy: -29.842
bonds (distance) P-C4' energy: -31.165
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -20.930
tors. eta vs tors. theta energy: -0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -584.481624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.481624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.481624 (E_RNA)
where:
Base-Base interactions energy: -404.938
where: short stacking energy: -180.030
Base-Backbone interact. energy: -0.294
local terms energy: -179.249908
where:
bonds (distance) C4'-P energy: -33.605
bonds (distance) P-C4' energy: -26.609
flat angles C4'-P-C4' energy: -32.794
flat angles P-C4'-P energy: -30.587
tors. eta vs tors. theta energy: -55.655
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: 10
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -563.288304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.288304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.288304 (E_RNA)
where:
Base-Base interactions energy: -386.307
where: short stacking energy: -161.751
Base-Backbone interact. energy: -0.025
local terms energy: -176.956799
where:
bonds (distance) C4'-P energy: -30.254
bonds (distance) P-C4' energy: -34.425
flat angles C4'-P-C4' energy: -38.258
flat angles P-C4'-P energy: -23.763
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: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -549.673696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.673696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.673696 (E_RNA)
where:
Base-Base interactions energy: -383.304
where: short stacking energy: -148.189
Base-Backbone interact. energy: 0.308
local terms energy: -166.677942
where:
bonds (distance) C4'-P energy: -33.906
bonds (distance) P-C4' energy: -31.488
flat angles C4'-P-C4' energy: -34.201
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -43.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -519.348674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.348674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.348674 (E_RNA)
where:
Base-Base interactions energy: -345.623
where: short stacking energy: -151.710
Base-Backbone interact. energy: 0.133
local terms energy: -174.017599
where:
bonds (distance) C4'-P energy: -28.932
bonds (distance) P-C4' energy: -35.271
flat angles C4'-P-C4' energy: -33.569
flat angles P-C4'-P energy: -25.541
tors. eta vs tors. theta energy: -50.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.159 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -463.808350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.808350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.808350 (E_RNA)
where:
Base-Base interactions energy: -311.448
where: short stacking energy: -144.243
Base-Backbone interact. energy: -0.225
local terms energy: -152.136143
where:
bonds (distance) C4'-P energy: -26.754
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -31.807
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -44.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -437.488096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.488096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.488096 (E_RNA)
where:
Base-Base interactions energy: -289.073
where: short stacking energy: -140.981
Base-Backbone interact. energy: -0.700
local terms energy: -147.715525
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -35.222
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -22.827
tors. eta vs tors. theta energy: -34.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -425.427239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.427239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.427239 (E_RNA)
where:
Base-Base interactions energy: -283.336
where: short stacking energy: -123.916
Base-Backbone interact. energy: 1.822
local terms energy: -143.913575
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -28.405
flat angles P-C4'-P energy: -24.695
tors. eta vs tors. theta energy: -32.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -368.316612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.316612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.316612 (E_RNA)
where:
Base-Base interactions energy: -246.481
where: short stacking energy: -102.463
Base-Backbone interact. energy: -0.466
local terms energy: -121.369646
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -21.400
tors. eta vs tors. theta energy: -25.557
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: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -179.516673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.516673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.516673 (E_RNA)
where:
Base-Base interactions energy: -90.557
where: short stacking energy: -55.948
Base-Backbone interact. energy: -0.555
local terms energy: -88.404787
where:
bonds (distance) C4'-P energy: -30.143
bonds (distance) P-C4' energy: -32.678
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: 2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -147.015393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.015393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.015393 (E_RNA)
where:
Base-Base interactions energy: -57.043
where: short stacking energy: -46.235
Base-Backbone interact. energy: 1.912
local terms energy: -91.884589
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -22.635
flat angles P-C4'-P energy: -23.034
tors. eta vs tors. theta energy: 8.990
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: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -577.938206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.938206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.938206 (E_RNA)
where:
Base-Base interactions energy: -391.417
where: short stacking energy: -165.489
Base-Backbone interact. energy: -0.177
local terms energy: -186.344275
where:
bonds (distance) C4'-P energy: -31.067
bonds (distance) P-C4' energy: -36.044
flat angles C4'-P-C4' energy: -38.130
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -51.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -578.171092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.171092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.171092 (E_RNA)
where:
Base-Base interactions energy: -393.819
where: short stacking energy: -173.845
Base-Backbone interact. energy: -0.105
local terms energy: -184.775877
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -33.185
flat angles C4'-P-C4' energy: -40.951
flat angles P-C4'-P energy: -25.244
tors. eta vs tors. theta energy: -52.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.528 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -547.843479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.843479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.843479 (E_RNA)
where:
Base-Base interactions energy: -370.294
where: short stacking energy: -166.134
Base-Backbone interact. energy: -0.151
local terms energy: -177.429797
where:
bonds (distance) C4'-P energy: -32.612
bonds (distance) P-C4' energy: -30.069
flat angles C4'-P-C4' energy: -43.359
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -56.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.032 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -524.792512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.792512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.792512 (E_RNA)
where:
Base-Base interactions energy: -359.363
where: short stacking energy: -149.358
Base-Backbone interact. energy: 1.673
local terms energy: -167.103052
where:
bonds (distance) C4'-P energy: -30.233
bonds (distance) P-C4' energy: -35.767
flat angles C4'-P-C4' energy: -37.095
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -41.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -447.789078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.789078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.789078 (E_RNA)
where:
Base-Base interactions energy: -296.324
where: short stacking energy: -122.054
Base-Backbone interact. energy: -2.307
local terms energy: -149.158445
where:
bonds (distance) C4'-P energy: -25.948
bonds (distance) P-C4' energy: -35.200
flat angles C4'-P-C4' energy: -30.282
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -35.210
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: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -441.250990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.250990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.250990 (E_RNA)
where:
Base-Base interactions energy: -301.058
where: short stacking energy: -127.303
Base-Backbone interact. energy: -0.109
local terms energy: -140.083836
where:
bonds (distance) C4'-P energy: -25.535
bonds (distance) P-C4' energy: -31.175
flat angles C4'-P-C4' energy: -37.554
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -34.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -419.017666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.017666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.017666 (E_RNA)
where:
Base-Base interactions energy: -276.801
where: short stacking energy: -126.602
Base-Backbone interact. energy: -0.790
local terms energy: -141.426467
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -34.600
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -30.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -330.129574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.129574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.129574 (E_RNA)
where:
Base-Base interactions energy: -204.955
where: short stacking energy: -91.201
Base-Backbone interact. energy: -0.796
local terms energy: -124.378046
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -30.665
flat angles C4'-P-C4' energy: -32.077
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -153.873301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.873301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.873301 (E_RNA)
where:
Base-Base interactions energy: -49.359
where: short stacking energy: -40.819
Base-Backbone interact. energy: -0.796
local terms energy: -103.718210
where:
bonds (distance) C4'-P energy: -29.953
bonds (distance) P-C4' energy: -30.466
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -5.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -156.685000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.685000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.685000 (E_RNA)
where:
Base-Base interactions energy: -59.675
where: short stacking energy: -45.626
Base-Backbone interact. energy: -1.072
local terms energy: -95.938017
where:
bonds (distance) C4'-P energy: -27.506
bonds (distance) P-C4' energy: -32.101
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: 1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -572.423626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.423626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.423626 (E_RNA)
where:
Base-Base interactions energy: -394.456
where: short stacking energy: -158.614
Base-Backbone interact. energy: 1.710
local terms energy: -179.779082
where:
bonds (distance) C4'-P energy: -24.720
bonds (distance) P-C4' energy: -36.903
flat angles C4'-P-C4' energy: -39.830
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -49.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.101 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -562.086873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.086873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.086873 (E_RNA)
where:
Base-Base interactions energy: -381.963
where: short stacking energy: -175.281
Base-Backbone interact. energy: -0.062
local terms energy: -180.062081
where:
bonds (distance) C4'-P energy: -33.144
bonds (distance) P-C4' energy: -35.416
flat angles C4'-P-C4' energy: -36.833
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -53.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -567.489930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.489930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.489930 (E_RNA)
where:
Base-Base interactions energy: -385.244
where: short stacking energy: -166.871
Base-Backbone interact. energy: -0.791
local terms energy: -181.454565
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -33.690
flat angles C4'-P-C4' energy: -26.146
flat angles P-C4'-P energy: -30.376
tors. eta vs tors. theta energy: -56.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -510.133598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.133598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.133598 (E_RNA)
where:
Base-Base interactions energy: -357.268
where: short stacking energy: -144.178
Base-Backbone interact. energy: -0.535
local terms energy: -155.033018
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -23.642
flat angles C4'-P-C4' energy: -39.331
flat angles P-C4'-P energy: -27.124
tors. eta vs tors. theta energy: -42.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.703 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -430.318122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.318122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.318122 (E_RNA)
where:
Base-Base interactions energy: -274.987
where: short stacking energy: -132.647
Base-Backbone interact. energy: -0.087
local terms energy: -155.244627
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -31.378
flat angles C4'-P-C4' energy: -37.416
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -43.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -428.839774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.839774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.839774 (E_RNA)
where:
Base-Base interactions energy: -274.711
where: short stacking energy: -117.836
Base-Backbone interact. energy: -1.023
local terms energy: -153.106138
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -34.262
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -20.985
tors. eta vs tors. theta energy: -28.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -412.996835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.996835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.996835 (E_RNA)
where:
Base-Base interactions energy: -266.687
where: short stacking energy: -106.029
Base-Backbone interact. energy: -0.227
local terms energy: -146.083255
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -37.590
flat angles C4'-P-C4' energy: -34.998
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -27.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -319.069352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.069352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.069352 (E_RNA)
where:
Base-Base interactions energy: -199.757
where: short stacking energy: -85.961
Base-Backbone interact. energy: -1.798
local terms energy: -117.514639
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -32.553
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -160.991811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.991811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.991811 (E_RNA)
where:
Base-Base interactions energy: -68.174
where: short stacking energy: -50.906
Base-Backbone interact. energy: -0.987
local terms energy: -91.830683
where:
bonds (distance) C4'-P energy: -30.355
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: 1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -186.014950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.014950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.014950 (E_RNA)
where:
Base-Base interactions energy: -94.334
where: short stacking energy: -49.606
Base-Backbone interact. energy: -0.708
local terms energy: -90.973015
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -22.797
flat angles C4'-P-C4' energy: -25.415
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -572.276093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.276093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.276093 (E_RNA)
where:
Base-Base interactions energy: -378.605
where: short stacking energy: -166.174
Base-Backbone interact. energy: -0.167
local terms energy: -193.504448
where:
bonds (distance) C4'-P energy: -35.182
bonds (distance) P-C4' energy: -36.212
flat angles C4'-P-C4' energy: -38.527
flat angles P-C4'-P energy: -27.826
tors. eta vs tors. theta energy: -55.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -566.729130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.729130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.729130 (E_RNA)
where:
Base-Base interactions energy: -396.072
where: short stacking energy: -162.903
Base-Backbone interact. energy: -0.369
local terms energy: -170.288321
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -39.317
flat angles C4'-P-C4' energy: -35.742
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -48.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -561.519387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.519387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.519387 (E_RNA)
where:
Base-Base interactions energy: -384.139
where: short stacking energy: -175.964
Base-Backbone interact. energy: -0.114
local terms energy: -179.607638
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -34.180
flat angles C4'-P-C4' energy: -39.730
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: -54.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.341 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -505.815434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.815434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.815434 (E_RNA)
where:
Base-Base interactions energy: -351.328
where: short stacking energy: -138.849
Base-Backbone interact. energy: 0.977
local terms energy: -155.464468
where:
bonds (distance) C4'-P energy: -26.071
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -36.882
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -40.984
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: 358
Temperature: 1.100000
Total energy: -435.722720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.722720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.722720 (E_RNA)
where:
Base-Base interactions energy: -281.607
where: short stacking energy: -128.570
Base-Backbone interact. energy: 0.240
local terms energy: -154.355828
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -29.469
flat angles C4'-P-C4' energy: -38.885
flat angles P-C4'-P energy: -22.415
tors. eta vs tors. theta energy: -37.409
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: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -405.186039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.186039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.186039 (E_RNA)
where:
Base-Base interactions energy: -258.498
where: short stacking energy: -105.624
Base-Backbone interact. energy: -0.960
local terms energy: -145.728214
where:
bonds (distance) C4'-P energy: -34.160
bonds (distance) P-C4' energy: -31.167
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -21.194
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -438.756218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.756218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.756218 (E_RNA)
where:
Base-Base interactions energy: -285.019
where: short stacking energy: -135.871
Base-Backbone interact. energy: -0.469
local terms energy: -153.269115
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -32.210
flat angles C4'-P-C4' energy: -33.449
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: -36.143
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: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -307.332315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.332315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.332315 (E_RNA)
where:
Base-Base interactions energy: -197.142
where: short stacking energy: -84.945
Base-Backbone interact. energy: 3.594
local terms energy: -113.797431
where:
bonds (distance) C4'-P energy: -25.153
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -24.538
flat angles P-C4'-P energy: -16.812
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.013 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -169.340790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.340790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.340790 (E_RNA)
where:
Base-Base interactions energy: -76.427
where: short stacking energy: -51.983
Base-Backbone interact. energy: 0.470
local terms energy: -93.383902
where:
bonds (distance) C4'-P energy: -34.431
bonds (distance) P-C4' energy: -26.885
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -16.339
tors. eta vs tors. theta energy: 7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -146.236608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.236608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.236608 (E_RNA)
where:
Base-Base interactions energy: -53.672
where: short stacking energy: -49.756
Base-Backbone interact. energy: -0.487
local terms energy: -92.077764
where:
bonds (distance) C4'-P energy: -27.386
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -30.409
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -570.764832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.764832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.764832 (E_RNA)
where:
Base-Base interactions energy: -383.726
where: short stacking energy: -172.776
Base-Backbone interact. energy: 0.616
local terms energy: -187.654277
where:
bonds (distance) C4'-P energy: -29.710
bonds (distance) P-C4' energy: -34.698
flat angles C4'-P-C4' energy: -37.570
flat angles P-C4'-P energy: -27.721
tors. eta vs tors. theta energy: -57.956
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: 359
Temperature: 0.950000
Total energy: -575.221116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.221116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.221116 (E_RNA)
where:
Base-Base interactions energy: -385.905
where: short stacking energy: -168.800
Base-Backbone interact. energy: -0.189
local terms energy: -189.127128
where:
bonds (distance) C4'-P energy: -35.196
bonds (distance) P-C4' energy: -33.851
flat angles C4'-P-C4' energy: -39.841
flat angles P-C4'-P energy: -26.072
tors. eta vs tors. theta energy: -54.167
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: 359
Temperature: 1.000000
Total energy: -564.118855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.118855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.118855 (E_RNA)
where:
Base-Base interactions energy: -377.998
where: short stacking energy: -156.953
Base-Backbone interact. energy: -0.925
local terms energy: -185.297412
where:
bonds (distance) C4'-P energy: -33.681
bonds (distance) P-C4' energy: -34.019
flat angles C4'-P-C4' energy: -38.096
flat angles P-C4'-P energy: -26.048
tors. eta vs tors. theta energy: -53.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.101 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -517.590225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.590225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.590225 (E_RNA)
where:
Base-Base interactions energy: -357.676
where: short stacking energy: -138.528
Base-Backbone interact. energy: -0.319
local terms energy: -159.683306
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -32.509
flat angles C4'-P-C4' energy: -33.024
flat angles P-C4'-P energy: -26.386
tors. eta vs tors. theta energy: -39.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.089 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -440.060770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.060770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.060770 (E_RNA)
where:
Base-Base interactions energy: -285.251
where: short stacking energy: -128.359
Base-Backbone interact. energy: 0.183
local terms energy: -155.821443
where:
bonds (distance) C4'-P energy: -32.203
bonds (distance) P-C4' energy: -33.027
flat angles C4'-P-C4' energy: -38.670
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -35.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.828 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -430.811927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.811927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.811927 (E_RNA)
where:
Base-Base interactions energy: -284.863
where: short stacking energy: -128.431
Base-Backbone interact. energy: -0.266
local terms energy: -145.682748
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -36.863
flat angles C4'-P-C4' energy: -32.642
flat angles P-C4'-P energy: -20.046
tors. eta vs tors. theta energy: -33.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -407.607301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.607301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.607301 (E_RNA)
where:
Base-Base interactions energy: -257.563
where: short stacking energy: -114.268
Base-Backbone interact. energy: -0.621
local terms energy: -149.423191
where:
bonds (distance) C4'-P energy: -33.402
bonds (distance) P-C4' energy: -33.061
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -19.034
tors. eta vs tors. theta energy: -32.214
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: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -311.188032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.188032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.188032 (E_RNA)
where:
Base-Base interactions energy: -200.369
where: short stacking energy: -94.885
Base-Backbone interact. energy: -0.986
local terms energy: -109.833348
where:
bonds (distance) C4'-P energy: -19.009
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -27.879
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -176.711642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.711642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.711642 (E_RNA)
where:
Base-Base interactions energy: -72.380
where: short stacking energy: -56.948
Base-Backbone interact. energy: -0.624
local terms energy: -103.707944
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -25.056
flat angles C4'-P-C4' energy: -26.629
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -179.028429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.028429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.028429 (E_RNA)
where:
Base-Base interactions energy: -108.199
where: short stacking energy: -62.946
Base-Backbone interact. energy: 1.136
local terms energy: -71.965738
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -29.825
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: 8.049
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: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -592.778056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.778056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.778056 (E_RNA)
where:
Base-Base interactions energy: -400.042
where: short stacking energy: -190.537
Base-Backbone interact. energy: -0.244
local terms energy: -192.492754
where:
bonds (distance) C4'-P energy: -32.056
bonds (distance) P-C4' energy: -36.590
flat angles C4'-P-C4' energy: -37.691
flat angles P-C4'-P energy: -29.351
tors. eta vs tors. theta energy: -56.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -569.327495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.327495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.327495 (E_RNA)
where:
Base-Base interactions energy: -383.063
where: short stacking energy: -172.499
Base-Backbone interact. energy: -0.006
local terms energy: -186.746009
where:
bonds (distance) C4'-P energy: -32.425
bonds (distance) P-C4' energy: -37.582
flat angles C4'-P-C4' energy: -37.822
flat angles P-C4'-P energy: -22.606
tors. eta vs tors. theta energy: -56.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.487 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -561.139831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.139831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.139831 (E_RNA)
where:
Base-Base interactions energy: -383.889
where: short stacking energy: -161.775
Base-Backbone interact. energy: -0.662
local terms energy: -177.711545
where:
bonds (distance) C4'-P energy: -34.280
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -39.667
flat angles P-C4'-P energy: -25.574
tors. eta vs tors. theta energy: -45.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.122 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -508.902991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.902991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.902991 (E_RNA)
where:
Base-Base interactions energy: -347.832
where: short stacking energy: -147.573
Base-Backbone interact. energy: -0.404
local terms energy: -160.666739
where:
bonds (distance) C4'-P energy: -36.803
bonds (distance) P-C4' energy: -32.064
flat angles C4'-P-C4' energy: -34.161
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -43.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -454.062173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.062173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.062173 (E_RNA)
where:
Base-Base interactions energy: -291.675
where: short stacking energy: -132.692
Base-Backbone interact. energy: -0.275
local terms energy: -162.112475
where:
bonds (distance) C4'-P energy: -35.297
bonds (distance) P-C4' energy: -32.512
flat angles C4'-P-C4' energy: -35.489
flat angles P-C4'-P energy: -24.643
tors. eta vs tors. theta energy: -34.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -465.154188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.154188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.154188 (E_RNA)
where:
Base-Base interactions energy: -318.631
where: short stacking energy: -147.108
Base-Backbone interact. energy: 1.019
local terms energy: -147.548213
where:
bonds (distance) C4'-P energy: -22.902
bonds (distance) P-C4' energy: -31.150
flat angles C4'-P-C4' energy: -29.216
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -42.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.006 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -416.749311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.749311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.749311 (E_RNA)
where:
Base-Base interactions energy: -279.073
where: short stacking energy: -116.477
Base-Backbone interact. energy: -0.578
local terms energy: -137.098879
where:
bonds (distance) C4'-P energy: -30.967
bonds (distance) P-C4' energy: -36.385
flat angles C4'-P-C4' energy: -26.161
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -31.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -314.747165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.747165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.747165 (E_RNA)
where:
Base-Base interactions energy: -195.542
where: short stacking energy: -91.215
Base-Backbone interact. energy: -0.204
local terms energy: -119.000833
where:
bonds (distance) C4'-P energy: -32.284
bonds (distance) P-C4' energy: -28.859
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -20.983
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -193.953688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.953688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.953688 (E_RNA)
where:
Base-Base interactions energy: -86.333
where: short stacking energy: -44.077
Base-Backbone interact. energy: -0.088
local terms energy: -107.532514
where:
bonds (distance) C4'-P energy: -32.102
bonds (distance) P-C4' energy: -35.280
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -206.623611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.623611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.623611 (E_RNA)
where:
Base-Base interactions energy: -111.847
where: short stacking energy: -60.351
Base-Backbone interact. energy: -1.287
local terms energy: -93.489331
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -24.583
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -10.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -580.642728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.642728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.642728 (E_RNA)
where:
Base-Base interactions energy: -394.816
where: short stacking energy: -177.443
Base-Backbone interact. energy: -0.265
local terms energy: -186.820539
where:
bonds (distance) C4'-P energy: -37.745
bonds (distance) P-C4' energy: -25.822
flat angles C4'-P-C4' energy: -38.037
flat angles P-C4'-P energy: -26.757
tors. eta vs tors. theta energy: -58.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.259 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -566.370116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.370116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.370116 (E_RNA)
where:
Base-Base interactions energy: -377.147
where: short stacking energy: -159.318
Base-Backbone interact. energy: -2.026
local terms energy: -187.196662
where:
bonds (distance) C4'-P energy: -33.771
bonds (distance) P-C4' energy: -40.736
flat angles C4'-P-C4' energy: -35.649
flat angles P-C4'-P energy: -28.416
tors. eta vs tors. theta energy: -48.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -554.166288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.166288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.166288 (E_RNA)
where:
Base-Base interactions energy: -383.089
where: short stacking energy: -174.947
Base-Backbone interact. energy: -0.367
local terms energy: -171.995147
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -36.724
flat angles P-C4'-P energy: -28.268
tors. eta vs tors. theta energy: -55.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.285 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -515.686629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.686629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.686629 (E_RNA)
where:
Base-Base interactions energy: -351.593
where: short stacking energy: -134.077
Base-Backbone interact. energy: 1.644
local terms energy: -165.737719
where:
bonds (distance) C4'-P energy: -34.441
bonds (distance) P-C4' energy: -34.416
flat angles C4'-P-C4' energy: -31.450
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -41.827
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: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -485.605506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.605506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.605506 (E_RNA)
where:
Base-Base interactions energy: -328.725
where: short stacking energy: -146.949
Base-Backbone interact. energy: 1.115
local terms energy: -157.995417
where:
bonds (distance) C4'-P energy: -33.273
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -34.545
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -36.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -442.824031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.824031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.824031 (E_RNA)
where:
Base-Base interactions energy: -291.065
where: short stacking energy: -132.523
Base-Backbone interact. energy: -0.915
local terms energy: -150.844186
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -33.019
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -24.165
tors. eta vs tors. theta energy: -37.454
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: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -440.037807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.037807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.037807 (E_RNA)
where:
Base-Base interactions energy: -304.790
where: short stacking energy: -131.993
Base-Backbone interact. energy: -0.166
local terms energy: -135.081179
where:
bonds (distance) C4'-P energy: -27.814
bonds (distance) P-C4' energy: -31.449
flat angles C4'-P-C4' energy: -28.595
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -36.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -331.192327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.192327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.192327 (E_RNA)
where:
Base-Base interactions energy: -209.398
where: short stacking energy: -96.998
Base-Backbone interact. energy: -0.306
local terms energy: -121.487965
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -29.652
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -154.887399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.887399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.887399 (E_RNA)
where:
Base-Base interactions energy: -60.628
where: short stacking energy: -56.248
Base-Backbone interact. energy: 2.230
local terms energy: -96.489183
where:
bonds (distance) C4'-P energy: -27.048
bonds (distance) P-C4' energy: -27.179
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -183.176286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.176286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.176286 (E_RNA)
where:
Base-Base interactions energy: -91.207
where: short stacking energy: -58.825
Base-Backbone interact. energy: -0.021
local terms energy: -91.948249
where:
bonds (distance) C4'-P energy: -32.441
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -4.781
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: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -579.398037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.398037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.398037 (E_RNA)
where:
Base-Base interactions energy: -397.975
where: short stacking energy: -171.685
Base-Backbone interact. energy: -1.148
local terms energy: -180.275242
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -34.207
flat angles C4'-P-C4' energy: -35.611
flat angles P-C4'-P energy: -26.319
tors. eta vs tors. theta energy: -49.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -577.051731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.051731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.051731 (E_RNA)
where:
Base-Base interactions energy: -386.452
where: short stacking energy: -165.111
Base-Backbone interact. energy: -0.385
local terms energy: -190.214323
where:
bonds (distance) C4'-P energy: -35.547
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -40.277
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -53.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -530.585851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.585851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.585851 (E_RNA)
where:
Base-Base interactions energy: -368.338
where: short stacking energy: -146.867
Base-Backbone interact. energy: -0.108
local terms energy: -162.140320
where:
bonds (distance) C4'-P energy: -28.073
bonds (distance) P-C4' energy: -32.174
flat angles C4'-P-C4' energy: -32.728
flat angles P-C4'-P energy: -26.160
tors. eta vs tors. theta energy: -43.005
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: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -505.675685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.675685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.675685 (E_RNA)
where:
Base-Base interactions energy: -341.554
where: short stacking energy: -152.171
Base-Backbone interact. energy: -0.564
local terms energy: -163.557655
where:
bonds (distance) C4'-P energy: -23.998
bonds (distance) P-C4' energy: -35.129
flat angles C4'-P-C4' energy: -33.178
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -46.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -503.464992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.464992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.464992 (E_RNA)
where:
Base-Base interactions energy: -344.997
where: short stacking energy: -133.361
Base-Backbone interact. energy: -0.862
local terms energy: -158.055602
where:
bonds (distance) C4'-P energy: -32.098
bonds (distance) P-C4' energy: -31.426
flat angles C4'-P-C4' energy: -35.529
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -37.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.450 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -455.244299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.244299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.244299 (E_RNA)
where:
Base-Base interactions energy: -304.084
where: short stacking energy: -133.435
Base-Backbone interact. energy: -0.344
local terms energy: -150.816162
where:
bonds (distance) C4'-P energy: -29.896
bonds (distance) P-C4' energy: -22.733
flat angles C4'-P-C4' energy: -29.728
flat angles P-C4'-P energy: -26.398
tors. eta vs tors. theta energy: -42.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -421.466632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.466632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.466632 (E_RNA)
where:
Base-Base interactions energy: -274.693
where: short stacking energy: -134.387
Base-Backbone interact. energy: -0.273
local terms energy: -146.500183
where:
bonds (distance) C4'-P energy: -24.452
bonds (distance) P-C4' energy: -29.855
flat angles C4'-P-C4' energy: -30.032
flat angles P-C4'-P energy: -25.836
tors. eta vs tors. theta energy: -36.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -350.040036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.040036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.040036 (E_RNA)
where:
Base-Base interactions energy: -212.415
where: short stacking energy: -83.858
Base-Backbone interact. energy: -0.132
local terms energy: -137.492767
where:
bonds (distance) C4'-P energy: -27.747
bonds (distance) P-C4' energy: -40.160
flat angles C4'-P-C4' energy: -32.898
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -163.664334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.664334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.664334 (E_RNA)
where:
Base-Base interactions energy: -68.170
where: short stacking energy: -47.489
Base-Backbone interact. energy: -0.552
local terms energy: -94.941829
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -27.018
flat angles C4'-P-C4' energy: -29.318
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -142.662361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.662361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.662361 (E_RNA)
where:
Base-Base interactions energy: -55.151
where: short stacking energy: -25.959
Base-Backbone interact. energy: -1.165
local terms energy: -86.345677
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -29.544
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -14.526
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: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -584.518378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.518378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.518378 (E_RNA)
where:
Base-Base interactions energy: -409.765
where: short stacking energy: -172.190
Base-Backbone interact. energy: -0.646
local terms energy: -174.107213
where:
bonds (distance) C4'-P energy: -37.328
bonds (distance) P-C4' energy: -35.237
flat angles C4'-P-C4' energy: -33.606
flat angles P-C4'-P energy: -23.405
tors. eta vs tors. theta energy: -44.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -572.385045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.385045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.385045 (E_RNA)
where:
Base-Base interactions energy: -400.129
where: short stacking energy: -175.297
Base-Backbone interact. energy: -0.411
local terms energy: -173.622354
where:
bonds (distance) C4'-P energy: -28.960
bonds (distance) P-C4' energy: -29.384
flat angles C4'-P-C4' energy: -34.366
flat angles P-C4'-P energy: -23.901
tors. eta vs tors. theta energy: -57.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.777 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -535.644690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.644690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.644690 (E_RNA)
where:
Base-Base interactions energy: -377.061
where: short stacking energy: -141.455
Base-Backbone interact. energy: -0.245
local terms energy: -158.338896
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -38.890
flat angles C4'-P-C4' energy: -36.050
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -39.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -498.145738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.145738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.145738 (E_RNA)
where:
Base-Base interactions energy: -336.596
where: short stacking energy: -149.934
Base-Backbone interact. energy: -0.171
local terms energy: -162.161411
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -40.288
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -45.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.783 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -493.818428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.818428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.818428 (E_RNA)
where:
Base-Base interactions energy: -343.471
where: short stacking energy: -148.564
Base-Backbone interact. energy: -0.082
local terms energy: -150.265605
where:
bonds (distance) C4'-P energy: -29.553
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -35.361
flat angles P-C4'-P energy: -24.201
tors. eta vs tors. theta energy: -33.402
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: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -441.047324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.047324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.047324 (E_RNA)
where:
Base-Base interactions energy: -301.421
where: short stacking energy: -127.342
Base-Backbone interact. energy: -0.266
local terms energy: -140.143944
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -29.189
flat angles C4'-P-C4' energy: -34.946
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -38.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.783 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -427.452250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.452250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.452250 (E_RNA)
where:
Base-Base interactions energy: -295.449
where: short stacking energy: -127.348
Base-Backbone interact. energy: 0.632
local terms energy: -132.635461
where:
bonds (distance) C4'-P energy: -26.355
bonds (distance) P-C4' energy: -26.029
flat angles C4'-P-C4' energy: -29.660
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -32.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -302.401915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.401915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.401915 (E_RNA)
where:
Base-Base interactions energy: -175.557
where: short stacking energy: -74.255
Base-Backbone interact. energy: -0.057
local terms energy: -126.787299
where:
bonds (distance) C4'-P energy: -26.426
bonds (distance) P-C4' energy: -38.538
flat angles C4'-P-C4' energy: -29.917
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -172.858731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.858731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.858731 (E_RNA)
where:
Base-Base interactions energy: -68.282
where: short stacking energy: -46.816
Base-Backbone interact. energy: 0.387
local terms energy: -104.963158
where:
bonds (distance) C4'-P energy: -28.651
bonds (distance) P-C4' energy: -37.866
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -171.209780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.209780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.209780 (E_RNA)
where:
Base-Base interactions energy: -66.019
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.689
local terms energy: -104.501849
where:
bonds (distance) C4'-P energy: -24.782
bonds (distance) P-C4' energy: -31.500
flat angles C4'-P-C4' energy: -23.662
flat angles P-C4'-P energy: -21.726
tors. eta vs tors. theta energy: -2.832
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: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -578.066959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.066959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.066959 (E_RNA)
where:
Base-Base interactions energy: -387.089
where: short stacking energy: -158.249
Base-Backbone interact. energy: -0.052
local terms energy: -190.925807
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -37.663
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -53.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -570.713866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.713866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.713866 (E_RNA)
where:
Base-Base interactions energy: -400.716
where: short stacking energy: -165.437
Base-Backbone interact. energy: -0.690
local terms energy: -169.307841
where:
bonds (distance) C4'-P energy: -27.231
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -37.914
flat angles P-C4'-P energy: -26.258
tors. eta vs tors. theta energy: -48.191
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: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -516.271684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.271684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.271684 (E_RNA)
where:
Base-Base interactions energy: -357.924
where: short stacking energy: -148.723
Base-Backbone interact. energy: 0.402
local terms energy: -158.750025
where:
bonds (distance) C4'-P energy: -34.950
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -36.701
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -43.262
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: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -518.345841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.345841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.345841 (E_RNA)
where:
Base-Base interactions energy: -359.957
where: short stacking energy: -137.999
Base-Backbone interact. energy: -0.650
local terms energy: -157.738477
where:
bonds (distance) C4'-P energy: -35.288
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -31.715
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -40.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -492.939089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.939089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.939089 (E_RNA)
where:
Base-Base interactions energy: -339.262
where: short stacking energy: -139.395
Base-Backbone interact. energy: -0.169
local terms energy: -153.508686
where:
bonds (distance) C4'-P energy: -31.238
bonds (distance) P-C4' energy: -29.531
flat angles C4'-P-C4' energy: -31.675
flat angles P-C4'-P energy: -22.204
tors. eta vs tors. theta energy: -38.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -434.771412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.771412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.771412 (E_RNA)
where:
Base-Base interactions energy: -288.610
where: short stacking energy: -121.240
Base-Backbone interact. energy: -0.201
local terms energy: -146.543770
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -34.013
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -32.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.584 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -430.225350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.225350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.225350 (E_RNA)
where:
Base-Base interactions energy: -290.089
where: short stacking energy: -119.568
Base-Backbone interact. energy: -0.538
local terms energy: -139.598318
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -31.072
flat angles C4'-P-C4' energy: -29.880
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -30.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -277.623698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.623698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.623698 (E_RNA)
where:
Base-Base interactions energy: -158.386
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.990
local terms energy: -118.248392
where:
bonds (distance) C4'-P energy: -33.319
bonds (distance) P-C4' energy: -33.676
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -144.385061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.385061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.385061 (E_RNA)
where:
Base-Base interactions energy: -46.421
where: short stacking energy: -46.217
Base-Backbone interact. energy: -1.198
local terms energy: -96.765103
where:
bonds (distance) C4'-P energy: -30.078
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -19.575
tors. eta vs tors. theta energy: 1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -141.276042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.276042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.276042 (E_RNA)
where:
Base-Base interactions energy: -55.283
where: short stacking energy: -39.400
Base-Backbone interact. energy: 4.105
local terms energy: -90.098295
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -30.729
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: 11.245
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: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -560.718023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.718023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.718023 (E_RNA)
where:
Base-Base interactions energy: -388.973
where: short stacking energy: -170.909
Base-Backbone interact. energy: -0.171
local terms energy: -171.574088
where:
bonds (distance) C4'-P energy: -35.570
bonds (distance) P-C4' energy: -25.088
flat angles C4'-P-C4' energy: -37.531
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -51.127
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: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -576.481985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.481985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.481985 (E_RNA)
where:
Base-Base interactions energy: -397.490
where: short stacking energy: -162.370
Base-Backbone interact. energy: -0.684
local terms energy: -178.307192
where:
bonds (distance) C4'-P energy: -28.606
bonds (distance) P-C4' energy: -33.806
flat angles C4'-P-C4' energy: -36.937
flat angles P-C4'-P energy: -29.269
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -524.367248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.367248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.367248 (E_RNA)
where:
Base-Base interactions energy: -352.929
where: short stacking energy: -158.917
Base-Backbone interact. energy: -0.143
local terms energy: -171.295826
where:
bonds (distance) C4'-P energy: -41.649
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -35.294
flat angles P-C4'-P energy: -20.211
tors. eta vs tors. theta energy: -46.198
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: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -515.347590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.347590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.347590 (E_RNA)
where:
Base-Base interactions energy: -357.695
where: short stacking energy: -147.804
Base-Backbone interact. energy: -1.535
local terms energy: -156.117153
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -35.369
flat angles C4'-P-C4' energy: -24.370
flat angles P-C4'-P energy: -26.972
tors. eta vs tors. theta energy: -40.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -480.829085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.829085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.829085 (E_RNA)
where:
Base-Base interactions energy: -325.564
where: short stacking energy: -133.831
Base-Backbone interact. energy: -0.807
local terms energy: -154.457911
where:
bonds (distance) C4'-P energy: -30.135
bonds (distance) P-C4' energy: -34.250
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -19.537
tors. eta vs tors. theta energy: -36.667
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: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -450.670230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.670230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.670230 (E_RNA)
where:
Base-Base interactions energy: -299.928
where: short stacking energy: -121.690
Base-Backbone interact. energy: 0.103
local terms energy: -150.845933
where:
bonds (distance) C4'-P energy: -27.746
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -37.220
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -40.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -406.565159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.565159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.565159 (E_RNA)
where:
Base-Base interactions energy: -261.881
where: short stacking energy: -108.309
Base-Backbone interact. energy: -0.235
local terms energy: -144.448949
where:
bonds (distance) C4'-P energy: -24.169
bonds (distance) P-C4' energy: -34.422
flat angles C4'-P-C4' energy: -37.339
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -30.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -271.002489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.002489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.002489 (E_RNA)
where:
Base-Base interactions energy: -157.455
where: short stacking energy: -75.414
Base-Backbone interact. energy: -0.820
local terms energy: -112.838463
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -29.867
flat angles P-C4'-P energy: -19.817
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.110 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -160.290103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.290103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.290103 (E_RNA)
where:
Base-Base interactions energy: -51.041
where: short stacking energy: -37.677
Base-Backbone interact. energy: -1.996
local terms energy: -107.253583
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -31.864
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -149.089177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.089177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.089177 (E_RNA)
where:
Base-Base interactions energy: -51.747
where: short stacking energy: -37.821
Base-Backbone interact. energy: -0.406
local terms energy: -96.936433
where:
bonds (distance) C4'-P energy: -32.842
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -31.862
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -1.478
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: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -582.353507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.353507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.353507 (E_RNA)
where:
Base-Base interactions energy: -403.876
where: short stacking energy: -172.061
Base-Backbone interact. energy: -0.722
local terms energy: -177.755687
where:
bonds (distance) C4'-P energy: -28.484
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -34.796
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -50.977
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: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -568.519084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.519084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.519084 (E_RNA)
where:
Base-Base interactions energy: -392.309
where: short stacking energy: -173.436
Base-Backbone interact. energy: -0.157
local terms energy: -176.052911
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -37.349
flat angles C4'-P-C4' energy: -34.946
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -55.676
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: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -533.199027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.199027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.199027 (E_RNA)
where:
Base-Base interactions energy: -366.661
where: short stacking energy: -145.411
Base-Backbone interact. energy: 1.084
local terms energy: -167.622053
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -34.750
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -43.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -519.109985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.109985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.109985 (E_RNA)
where:
Base-Base interactions energy: -344.168
where: short stacking energy: -155.892
Base-Backbone interact. energy: -0.231
local terms energy: -174.857760
where:
bonds (distance) C4'-P energy: -32.430
bonds (distance) P-C4' energy: -34.845
flat angles C4'-P-C4' energy: -34.978
flat angles P-C4'-P energy: -18.221
tors. eta vs tors. theta energy: -54.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.147 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -488.674298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.674298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.674298 (E_RNA)
where:
Base-Base interactions energy: -330.650
where: short stacking energy: -138.281
Base-Backbone interact. energy: -0.295
local terms energy: -157.729159
where:
bonds (distance) C4'-P energy: -34.896
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -34.184
flat angles P-C4'-P energy: -21.739
tors. eta vs tors. theta energy: -39.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -448.540340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.540340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.540340 (E_RNA)
where:
Base-Base interactions energy: -301.143
where: short stacking energy: -123.276
Base-Backbone interact. energy: -0.565
local terms energy: -146.831766
where:
bonds (distance) C4'-P energy: -27.350
bonds (distance) P-C4' energy: -31.827
flat angles C4'-P-C4' energy: -34.371
flat angles P-C4'-P energy: -23.074
tors. eta vs tors. theta energy: -30.210
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: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -407.712282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.712282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.712282 (E_RNA)
where:
Base-Base interactions energy: -263.661
where: short stacking energy: -115.499
Base-Backbone interact. energy: -0.430
local terms energy: -143.621435
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -34.268
flat angles C4'-P-C4' energy: -32.786
flat angles P-C4'-P energy: -23.485
tors. eta vs tors. theta energy: -25.699
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: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -262.429015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.429015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.429015 (E_RNA)
where:
Base-Base interactions energy: -144.757
where: short stacking energy: -68.188
Base-Backbone interact. energy: -0.542
local terms energy: -117.130258
where:
bonds (distance) C4'-P energy: -27.087
bonds (distance) P-C4' energy: -33.603
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -25.248
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -157.741466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.741466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.741466 (E_RNA)
where:
Base-Base interactions energy: -48.997
where: short stacking energy: -48.997
Base-Backbone interact. energy: 1.016
local terms energy: -111.282798
where:
bonds (distance) C4'-P energy: -30.919
bonds (distance) P-C4' energy: -40.380
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: 4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.523 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -147.548465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.548465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.548465 (E_RNA)
where:
Base-Base interactions energy: -53.672
where: short stacking energy: -38.867
Base-Backbone interact. energy: -0.475
local terms energy: -93.400706
where:
bonds (distance) C4'-P energy: -21.932
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -31.877
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: 1.191
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: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -570.146971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.146971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.146971 (E_RNA)
where:
Base-Base interactions energy: -399.035
where: short stacking energy: -165.212
Base-Backbone interact. energy: -0.947
local terms energy: -170.165084
where:
bonds (distance) C4'-P energy: -27.444
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -40.682
flat angles P-C4'-P energy: -23.794
tors. eta vs tors. theta energy: -46.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -535.657207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.657207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.657207 (E_RNA)
where:
Base-Base interactions energy: -371.514
where: short stacking energy: -153.653
Base-Backbone interact. energy: -0.308
local terms energy: -163.835554
where:
bonds (distance) C4'-P energy: -33.220
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -32.898
flat angles P-C4'-P energy: -26.053
tors. eta vs tors. theta energy: -42.388
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: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -532.437716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.437716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.437716 (E_RNA)
where:
Base-Base interactions energy: -370.316
where: short stacking energy: -163.958
Base-Backbone interact. energy: 1.808
local terms energy: -165.479117
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -33.099
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -51.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.549 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -522.362203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.362203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.362203 (E_RNA)
where:
Base-Base interactions energy: -365.226
where: short stacking energy: -151.119
Base-Backbone interact. energy: 0.279
local terms energy: -157.414614
where:
bonds (distance) C4'-P energy: -28.044
bonds (distance) P-C4' energy: -33.666
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -21.628
tors. eta vs tors. theta energy: -43.188
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: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -519.676356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.676356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.676356 (E_RNA)
where:
Base-Base interactions energy: -355.718
where: short stacking energy: -160.551
Base-Backbone interact. energy: -0.109
local terms energy: -164.930002
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -34.202
flat angles C4'-P-C4' energy: -29.422
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -52.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.081 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -421.412894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.412894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.412894 (E_RNA)
where:
Base-Base interactions energy: -278.149
where: short stacking energy: -117.690
Base-Backbone interact. energy: -0.488
local terms energy: -142.878045
where:
bonds (distance) C4'-P energy: -31.644
bonds (distance) P-C4' energy: -33.770
flat angles C4'-P-C4' energy: -35.173
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -20.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -426.659145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.659145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.659145 (E_RNA)
where:
Base-Base interactions energy: -279.401
where: short stacking energy: -126.212
Base-Backbone interact. energy: -0.307
local terms energy: -146.950892
where:
bonds (distance) C4'-P energy: -33.761
bonds (distance) P-C4' energy: -35.554
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -21.939
tors. eta vs tors. theta energy: -29.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -268.011099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.011099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.011099 (E_RNA)
where:
Base-Base interactions energy: -161.007
where: short stacking energy: -81.351
Base-Backbone interact. energy: -0.933
local terms energy: -106.070587
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -36.735
flat angles C4'-P-C4' energy: -25.499
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -7.266
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: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -167.286373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.286373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.286373 (E_RNA)
where:
Base-Base interactions energy: -67.432
where: short stacking energy: -38.450
Base-Backbone interact. energy: -1.347
local terms energy: -98.507330
where:
bonds (distance) C4'-P energy: -27.584
bonds (distance) P-C4' energy: -36.277
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -153.166713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.166713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.166713 (E_RNA)
where:
Base-Base interactions energy: -41.422
where: short stacking energy: -32.844
Base-Backbone interact. energy: -0.944
local terms energy: -110.799894
where:
bonds (distance) C4'-P energy: -28.043
bonds (distance) P-C4' energy: -35.046
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -20.550
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: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -574.171505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.171505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.171505 (E_RNA)
where:
Base-Base interactions energy: -402.575
where: short stacking energy: -162.939
Base-Backbone interact. energy: -1.206
local terms energy: -170.391168
where:
bonds (distance) C4'-P energy: -30.786
bonds (distance) P-C4' energy: -35.010
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -20.609
tors. eta vs tors. theta energy: -47.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -557.351225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.351225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.351225 (E_RNA)
where:
Base-Base interactions energy: -390.524
where: short stacking energy: -149.971
Base-Backbone interact. energy: 0.873
local terms energy: -167.700534
where:
bonds (distance) C4'-P energy: -31.949
bonds (distance) P-C4' energy: -36.894
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -22.378
tors. eta vs tors. theta energy: -42.907
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: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -558.289708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.289708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.289708 (E_RNA)
where:
Base-Base interactions energy: -373.804
where: short stacking energy: -155.007
Base-Backbone interact. energy: -0.160
local terms energy: -184.326359
where:
bonds (distance) C4'-P energy: -28.820
bonds (distance) P-C4' energy: -41.647
flat angles C4'-P-C4' energy: -36.695
flat angles P-C4'-P energy: -27.484
tors. eta vs tors. theta energy: -49.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -516.478776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.478776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.478776 (E_RNA)
where:
Base-Base interactions energy: -345.557
where: short stacking energy: -147.814
Base-Backbone interact. energy: 0.026
local terms energy: -172.089422
where:
bonds (distance) C4'-P energy: -31.829
bonds (distance) P-C4' energy: -34.590
flat angles C4'-P-C4' energy: -35.032
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: -44.646
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: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -499.079498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.079498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.079498 (E_RNA)
where:
Base-Base interactions energy: -339.095
where: short stacking energy: -145.816
Base-Backbone interact. energy: 0.537
local terms energy: -160.521058
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -25.946
tors. eta vs tors. theta energy: -48.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -412.108556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.108556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.108556 (E_RNA)
where:
Base-Base interactions energy: -262.504
where: short stacking energy: -109.481
Base-Backbone interact. energy: -0.597
local terms energy: -149.074258
where:
bonds (distance) C4'-P energy: -26.740
bonds (distance) P-C4' energy: -33.285
flat angles C4'-P-C4' energy: -31.007
flat angles P-C4'-P energy: -23.121
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: 0.066 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -427.881795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.881795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.881795 (E_RNA)
where:
Base-Base interactions energy: -286.172
where: short stacking energy: -128.467
Base-Backbone interact. energy: 1.827
local terms energy: -143.537279
where:
bonds (distance) C4'-P energy: -31.206
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -37.456
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -37.623
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: 8, replica: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -249.827436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.827436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.827436 (E_RNA)
where:
Base-Base interactions energy: -145.481
where: short stacking energy: -85.902
Base-Backbone interact. energy: -1.329
local terms energy: -103.016876
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -34.925
flat angles C4'-P-C4' energy: -25.204
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -9.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -165.988467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.988467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.988467 (E_RNA)
where:
Base-Base interactions energy: -72.514
where: short stacking energy: -47.501
Base-Backbone interact. energy: -0.137
local terms energy: -93.336726
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -32.890
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: 2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -157.444530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.444530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.444530 (E_RNA)
where:
Base-Base interactions energy: -52.883
where: short stacking energy: -40.413
Base-Backbone interact. energy: -0.288
local terms energy: -104.273243
where:
bonds (distance) C4'-P energy: -31.473
bonds (distance) P-C4' energy: -30.224
flat angles C4'-P-C4' energy: -26.164
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: 2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -582.315014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.315014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.315014 (E_RNA)
where:
Base-Base interactions energy: -415.098
where: short stacking energy: -163.217
Base-Backbone interact. energy: -0.380
local terms energy: -166.836921
where:
bonds (distance) C4'-P energy: -29.646
bonds (distance) P-C4' energy: -33.144
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -45.139
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: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -547.232286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.232286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.232286 (E_RNA)
where:
Base-Base interactions energy: -376.410
where: short stacking energy: -160.445
Base-Backbone interact. energy: -1.165
local terms energy: -169.656848
where:
bonds (distance) C4'-P energy: -36.759
bonds (distance) P-C4' energy: -38.785
flat angles C4'-P-C4' energy: -34.423
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -44.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -506.463120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.463120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.463120 (E_RNA)
where:
Base-Base interactions energy: -336.981
where: short stacking energy: -124.483
Base-Backbone interact. energy: -0.075
local terms energy: -169.406925
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -37.680
flat angles C4'-P-C4' energy: -36.558
flat angles P-C4'-P energy: -20.972
tors. eta vs tors. theta energy: -41.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -522.002771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.002771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.002771 (E_RNA)
where:
Base-Base interactions energy: -354.913
where: short stacking energy: -155.445
Base-Backbone interact. energy: -0.823
local terms energy: -167.940033
where:
bonds (distance) C4'-P energy: -34.028
bonds (distance) P-C4' energy: -30.473
flat angles C4'-P-C4' energy: -33.129
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -44.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.674 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -522.141162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.141162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.141162 (E_RNA)
where:
Base-Base interactions energy: -360.497
where: short stacking energy: -157.836
Base-Backbone interact. energy: -0.135
local terms energy: -161.508812
where:
bonds (distance) C4'-P energy: -30.687
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -32.048
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -49.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -441.254664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.254664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.254664 (E_RNA)
where:
Base-Base interactions energy: -292.972
where: short stacking energy: -125.288
Base-Backbone interact. energy: -0.745
local terms energy: -147.537997
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -29.217
flat angles C4'-P-C4' energy: -33.007
flat angles P-C4'-P energy: -23.921
tors. eta vs tors. theta energy: -34.464
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: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -411.496918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.496918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.496918 (E_RNA)
where:
Base-Base interactions energy: -275.256
where: short stacking energy: -123.232
Base-Backbone interact. energy: -0.610
local terms energy: -135.631897
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -34.783
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -30.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -271.249299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.249299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.249299 (E_RNA)
where:
Base-Base interactions energy: -151.762
where: short stacking energy: -61.283
Base-Backbone interact. energy: -1.646
local terms energy: -117.841719
where:
bonds (distance) C4'-P energy: -30.660
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -31.061
flat angles P-C4'-P energy: -19.528
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: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -161.688047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.688047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.688047 (E_RNA)
where:
Base-Base interactions energy: -67.786
where: short stacking energy: -47.436
Base-Backbone interact. energy: -0.646
local terms energy: -93.911391
where:
bonds (distance) C4'-P energy: -26.633
bonds (distance) P-C4' energy: -28.388
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -18.908
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.656 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -171.706894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.706894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.706894 (E_RNA)
where:
Base-Base interactions energy: -58.063
where: short stacking energy: -52.622
Base-Backbone interact. energy: -0.213
local terms energy: -113.431354
where:
bonds (distance) C4'-P energy: -32.329
bonds (distance) P-C4' energy: -32.137
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -17.440
tors. eta vs tors. theta energy: -6.084
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: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -575.186611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.186611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.186611 (E_RNA)
where:
Base-Base interactions energy: -390.888
where: short stacking energy: -171.524
Base-Backbone interact. energy: -1.017
local terms energy: -183.282455
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -36.643
flat angles C4'-P-C4' energy: -37.778
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -49.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -547.730838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.730838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.730838 (E_RNA)
where:
Base-Base interactions energy: -379.973
where: short stacking energy: -140.798
Base-Backbone interact. energy: -0.318
local terms energy: -167.439024
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -35.417
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -16.604
tors. eta vs tors. theta energy: -44.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -535.556947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.556947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.556947 (E_RNA)
where:
Base-Base interactions energy: -360.823
where: short stacking energy: -161.008
Base-Backbone interact. energy: -0.756
local terms energy: -174.248642
where:
bonds (distance) C4'-P energy: -30.438
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -36.912
flat angles P-C4'-P energy: -23.218
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: 0.270 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -519.152554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.152554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.152554 (E_RNA)
where:
Base-Base interactions energy: -359.981
where: short stacking energy: -145.144
Base-Backbone interact. energy: 1.091
local terms energy: -160.263121
where:
bonds (distance) C4'-P energy: -32.516
bonds (distance) P-C4' energy: -33.734
flat angles C4'-P-C4' energy: -35.311
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -37.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -528.176918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.176918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.176918 (E_RNA)
where:
Base-Base interactions energy: -361.091
where: short stacking energy: -150.282
Base-Backbone interact. energy: -0.939
local terms energy: -166.147013
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -35.812
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -14.629
tors. eta vs tors. theta energy: -50.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -441.309799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.309799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.309799 (E_RNA)
where:
Base-Base interactions energy: -288.383
where: short stacking energy: -125.747
Base-Backbone interact. energy: -0.282
local terms energy: -152.644677
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -33.283
flat angles C4'-P-C4' energy: -33.678
flat angles P-C4'-P energy: -23.489
tors. eta vs tors. theta energy: -33.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -412.021094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.021094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.021094 (E_RNA)
where:
Base-Base interactions energy: -269.391
where: short stacking energy: -112.371
Base-Backbone interact. energy: 0.349
local terms energy: -143.215647
where:
bonds (distance) C4'-P energy: -29.622
bonds (distance) P-C4' energy: -31.701
flat angles C4'-P-C4' energy: -32.381
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -31.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.236 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -250.970129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.970129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.970129 (E_RNA)
where:
Base-Base interactions energy: -152.352
where: short stacking energy: -60.386
Base-Backbone interact. energy: -1.290
local terms energy: -97.328131
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -31.595
flat angles C4'-P-C4' energy: -24.471
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -10.153
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: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -157.761922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.761922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.761922 (E_RNA)
where:
Base-Base interactions energy: -54.979
where: short stacking energy: -45.838
Base-Backbone interact. energy: -1.382
local terms energy: -101.401526
where:
bonds (distance) C4'-P energy: -32.450
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -27.225
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: 1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -143.425764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.425764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.425764 (E_RNA)
where:
Base-Base interactions energy: -27.884
where: short stacking energy: -23.270
Base-Backbone interact. energy: 0.936
local terms energy: -116.478088
where:
bonds (distance) C4'-P energy: -36.524
bonds (distance) P-C4' energy: -31.359
flat angles C4'-P-C4' energy: -27.923
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: 4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -581.538102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.538102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.538102 (E_RNA)
where:
Base-Base interactions energy: -393.686
where: short stacking energy: -152.319
Base-Backbone interact. energy: -1.008
local terms energy: -186.843792
where:
bonds (distance) C4'-P energy: -39.118
bonds (distance) P-C4' energy: -35.142
flat angles C4'-P-C4' energy: -40.376
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -48.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -548.642917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.642917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.642917 (E_RNA)
where:
Base-Base interactions energy: -393.109
where: short stacking energy: -152.637
Base-Backbone interact. energy: -0.835
local terms energy: -154.699485
where:
bonds (distance) C4'-P energy: -30.335
bonds (distance) P-C4' energy: -31.636
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -41.952
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: 371
Temperature: 1.000000
Total energy: -542.543986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.543986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.543986 (E_RNA)
where:
Base-Base interactions energy: -380.593
where: short stacking energy: -156.813
Base-Backbone interact. energy: -0.262
local terms energy: -162.400980
where:
bonds (distance) C4'-P energy: -36.349
bonds (distance) P-C4' energy: -34.039
flat angles C4'-P-C4' energy: -28.537
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -44.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.712 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -526.372440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.372440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.372440 (E_RNA)
where:
Base-Base interactions energy: -352.126
where: short stacking energy: -150.508
Base-Backbone interact. energy: -0.097
local terms energy: -174.150110
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -31.797
flat angles C4'-P-C4' energy: -34.260
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -50.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -511.989609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.989609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.989609 (E_RNA)
where:
Base-Base interactions energy: -353.410
where: short stacking energy: -148.951
Base-Backbone interact. energy: -0.114
local terms energy: -158.466100
where:
bonds (distance) C4'-P energy: -29.698
bonds (distance) P-C4' energy: -29.422
flat angles C4'-P-C4' energy: -38.726
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: -40.507
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: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -433.705995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.705995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.705995 (E_RNA)
where:
Base-Base interactions energy: -310.708
where: short stacking energy: -129.955
Base-Backbone interact. energy: -0.484
local terms energy: -122.513777
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -35.098
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -25.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -398.255137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.255137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.255137 (E_RNA)
where:
Base-Base interactions energy: -265.626
where: short stacking energy: -119.138
Base-Backbone interact. energy: -0.954
local terms energy: -131.675373
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -26.249
flat angles C4'-P-C4' energy: -26.516
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -25.936
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: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -273.388129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.388129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.388129 (E_RNA)
where:
Base-Base interactions energy: -173.247
where: short stacking energy: -82.768
Base-Backbone interact. energy: 0.057
local terms energy: -100.198428
where:
bonds (distance) C4'-P energy: -29.392
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -164.547060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.547060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.547060 (E_RNA)
where:
Base-Base interactions energy: -54.105
where: short stacking energy: -45.250
Base-Backbone interact. energy: -0.255
local terms energy: -110.187197
where:
bonds (distance) C4'-P energy: -30.117
bonds (distance) P-C4' energy: -30.031
flat angles C4'-P-C4' energy: -34.195
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: 1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -145.489984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.489984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.489984 (E_RNA)
where:
Base-Base interactions energy: -44.828
where: short stacking energy: -37.116
Base-Backbone interact. energy: 1.016
local terms energy: -101.678012
where:
bonds (distance) C4'-P energy: -30.705
bonds (distance) P-C4' energy: -28.497
flat angles C4'-P-C4' energy: -27.504
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: 0.334
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: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -584.684318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.684318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.684318 (E_RNA)
where:
Base-Base interactions energy: -409.248
where: short stacking energy: -168.634
Base-Backbone interact. energy: 1.685
local terms energy: -177.790598
where:
bonds (distance) C4'-P energy: -35.926
bonds (distance) P-C4' energy: -35.258
flat angles C4'-P-C4' energy: -33.581
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -46.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.670 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -543.620418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.620418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.620418 (E_RNA)
where:
Base-Base interactions energy: -362.283
where: short stacking energy: -151.043
Base-Backbone interact. energy: -0.378
local terms energy: -180.959328
where:
bonds (distance) C4'-P energy: -34.300
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -37.545
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -47.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -548.999470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.999470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.999470 (E_RNA)
where:
Base-Base interactions energy: -369.503
where: short stacking energy: -164.487
Base-Backbone interact. energy: -0.674
local terms energy: -178.822375
where:
bonds (distance) C4'-P energy: -30.151
bonds (distance) P-C4' energy: -32.771
flat angles C4'-P-C4' energy: -39.479
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: -50.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -525.176529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.176529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.176529 (E_RNA)
where:
Base-Base interactions energy: -362.199
where: short stacking energy: -143.488
Base-Backbone interact. energy: -0.093
local terms energy: -163.031907
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -29.123
flat angles C4'-P-C4' energy: -38.228
flat angles P-C4'-P energy: -27.154
tors. eta vs tors. theta energy: -44.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.148 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -496.355205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.355205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.355205 (E_RNA)
where:
Base-Base interactions energy: -343.700
where: short stacking energy: -132.331
Base-Backbone interact. energy: -0.759
local terms energy: -151.896570
where:
bonds (distance) C4'-P energy: -27.287
bonds (distance) P-C4' energy: -26.329
flat angles C4'-P-C4' energy: -33.906
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -40.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -431.586108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.586108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.586108 (E_RNA)
where:
Base-Base interactions energy: -277.150
where: short stacking energy: -122.314
Base-Backbone interact. energy: -2.126
local terms energy: -152.310424
where:
bonds (distance) C4'-P energy: -29.179
bonds (distance) P-C4' energy: -33.340
flat angles C4'-P-C4' energy: -34.175
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -32.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -396.732401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.732401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.732401 (E_RNA)
where:
Base-Base interactions energy: -262.208
where: short stacking energy: -112.346
Base-Backbone interact. energy: -0.935
local terms energy: -133.589302
where:
bonds (distance) C4'-P energy: -26.304
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -30.996
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -26.297
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: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -266.007169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.007169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.007169 (E_RNA)
where:
Base-Base interactions energy: -140.666
where: short stacking energy: -82.967
Base-Backbone interact. energy: -2.000
local terms energy: -123.463760
where:
bonds (distance) C4'-P energy: -27.033
bonds (distance) P-C4' energy: -31.638
flat angles C4'-P-C4' energy: -33.854
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.123 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -157.727538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.727538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.727538 (E_RNA)
where:
Base-Base interactions energy: -50.914
where: short stacking energy: -49.957
Base-Backbone interact. energy: -1.047
local terms energy: -105.765784
where:
bonds (distance) C4'-P energy: -33.131
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -26.275
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -7.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -142.552266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.552266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.552266 (E_RNA)
where:
Base-Base interactions energy: -46.644
where: short stacking energy: -38.937
Base-Backbone interact. energy: -0.798
local terms energy: -95.874025
where:
bonds (distance) C4'-P energy: -25.943
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: 2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.764 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -568.265318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.265318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.265318 (E_RNA)
where:
Base-Base interactions energy: -384.465
where: short stacking energy: -165.281
Base-Backbone interact. energy: -0.815
local terms energy: -182.984953
where:
bonds (distance) C4'-P energy: -37.669
bonds (distance) P-C4' energy: -35.132
flat angles C4'-P-C4' energy: -37.243
flat angles P-C4'-P energy: -24.134
tors. eta vs tors. theta energy: -48.808
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: 373
Temperature: 0.950000
Total energy: -554.606421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.606421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.606421 (E_RNA)
where:
Base-Base interactions energy: -374.364
where: short stacking energy: -162.400
Base-Backbone interact. energy: -0.128
local terms energy: -180.114239
where:
bonds (distance) C4'-P energy: -34.198
bonds (distance) P-C4' energy: -36.361
flat angles C4'-P-C4' energy: -37.757
flat angles P-C4'-P energy: -24.338
tors. eta vs tors. theta energy: -47.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -521.514788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.514788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.514788 (E_RNA)
where:
Base-Base interactions energy: -367.305
where: short stacking energy: -143.816
Base-Backbone interact. energy: -0.184
local terms energy: -154.025258
where:
bonds (distance) C4'-P energy: -35.563
bonds (distance) P-C4' energy: -35.407
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -35.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -531.619861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.619861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.619861 (E_RNA)
where:
Base-Base interactions energy: -358.404
where: short stacking energy: -153.989
Base-Backbone interact. energy: -0.267
local terms energy: -173.369725
where:
bonds (distance) C4'-P energy: -33.897
bonds (distance) P-C4' energy: -30.119
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -26.650
tors. eta vs tors. theta energy: -46.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.421 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -485.247047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.247047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.247047 (E_RNA)
where:
Base-Base interactions energy: -325.781
where: short stacking energy: -139.297
Base-Backbone interact. energy: -0.325
local terms energy: -159.317285
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -30.104
flat angles C4'-P-C4' energy: -32.919
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -50.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.176 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -420.851388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.851388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.851388 (E_RNA)
where:
Base-Base interactions energy: -286.635
where: short stacking energy: -112.925
Base-Backbone interact. energy: -1.730
local terms energy: -132.485706
where:
bonds (distance) C4'-P energy: -23.010
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -37.016
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: -24.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -400.962019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.962019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.962019 (E_RNA)
where:
Base-Base interactions energy: -265.113
where: short stacking energy: -110.618
Base-Backbone interact. energy: -0.843
local terms energy: -135.006091
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -35.606
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -29.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -294.852839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.852839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.852839 (E_RNA)
where:
Base-Base interactions energy: -161.825
where: short stacking energy: -94.683
Base-Backbone interact. energy: -0.147
local terms energy: -132.880618
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -24.604
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -21.816
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: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -152.778645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.778645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.778645 (E_RNA)
where:
Base-Base interactions energy: -57.954
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.504
local terms energy: -94.321092
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -28.176
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -163.227461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.227461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.227461 (E_RNA)
where:
Base-Base interactions energy: -58.059
where: short stacking energy: -44.910
Base-Backbone interact. energy: 4.174
local terms energy: -109.402150
where:
bonds (distance) C4'-P energy: -33.624
bonds (distance) P-C4' energy: -28.199
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -24.939
tors. eta vs tors. theta energy: 0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.060 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -559.472111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.472111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.472111 (E_RNA)
where:
Base-Base interactions energy: -382.443
where: short stacking energy: -160.599
Base-Backbone interact. energy: -0.086
local terms energy: -177.371360
where:
bonds (distance) C4'-P energy: -27.639
bonds (distance) P-C4' energy: -30.357
flat angles C4'-P-C4' energy: -37.523
flat angles P-C4'-P energy: -30.008
tors. eta vs tors. theta energy: -51.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.428 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -564.166459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.166459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.166459 (E_RNA)
where:
Base-Base interactions energy: -384.509
where: short stacking energy: -166.713
Base-Backbone interact. energy: -0.777
local terms energy: -179.053337
where:
bonds (distance) C4'-P energy: -32.196
bonds (distance) P-C4' energy: -32.977
flat angles C4'-P-C4' energy: -40.815
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -48.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.173 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -544.375696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.375696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.375696 (E_RNA)
where:
Base-Base interactions energy: -371.456
where: short stacking energy: -166.575
Base-Backbone interact. energy: -0.106
local terms energy: -175.024143
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -25.780
flat angles C4'-P-C4' energy: -38.963
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -53.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.211 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -513.624157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.624157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.624157 (E_RNA)
where:
Base-Base interactions energy: -353.485
where: short stacking energy: -135.683
Base-Backbone interact. energy: -0.456
local terms energy: -159.683873
where:
bonds (distance) C4'-P energy: -31.833
bonds (distance) P-C4' energy: -31.115
flat angles C4'-P-C4' energy: -39.205
flat angles P-C4'-P energy: -19.176
tors. eta vs tors. theta energy: -38.355
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: 374
Temperature: 1.100000
Total energy: -487.282552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.282552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.282552 (E_RNA)
where:
Base-Base interactions energy: -324.656
where: short stacking energy: -133.594
Base-Backbone interact. energy: 0.330
local terms energy: -162.956262
where:
bonds (distance) C4'-P energy: -33.806
bonds (distance) P-C4' energy: -35.080
flat angles C4'-P-C4' energy: -33.481
flat angles P-C4'-P energy: -24.175
tors. eta vs tors. theta energy: -36.415
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: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -427.890785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.890785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.890785 (E_RNA)
where:
Base-Base interactions energy: -303.459
where: short stacking energy: -132.664
Base-Backbone interact. energy: -0.110
local terms energy: -124.322241
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -36.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -427.619710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.619710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.619710 (E_RNA)
where:
Base-Base interactions energy: -281.855
where: short stacking energy: -116.701
Base-Backbone interact. energy: -0.881
local terms energy: -144.883801
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -36.020
flat angles P-C4'-P energy: -27.273
tors. eta vs tors. theta energy: -35.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -291.231593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.231593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.231593 (E_RNA)
where:
Base-Base interactions energy: -165.847
where: short stacking energy: -83.287
Base-Backbone interact. energy: -0.587
local terms energy: -124.797565
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -39.226
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -160.891919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.891919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.891919 (E_RNA)
where:
Base-Base interactions energy: -42.278
where: short stacking energy: -43.989
Base-Backbone interact. energy: -0.384
local terms energy: -118.229452
where:
bonds (distance) C4'-P energy: -38.200
bonds (distance) P-C4' energy: -40.127
flat angles C4'-P-C4' energy: -31.245
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: 3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -156.152191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.152191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.152191 (E_RNA)
where:
Base-Base interactions energy: -47.327
where: short stacking energy: -39.709
Base-Backbone interact. energy: -1.097
local terms energy: -107.727383
where:
bonds (distance) C4'-P energy: -28.171
bonds (distance) P-C4' energy: -35.435
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -7.130
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: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -555.179630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.179630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.179630 (E_RNA)
where:
Base-Base interactions energy: -384.226
where: short stacking energy: -168.537
Base-Backbone interact. energy: -0.987
local terms energy: -171.432984
where:
bonds (distance) C4'-P energy: -29.846
bonds (distance) P-C4' energy: -22.851
flat angles C4'-P-C4' energy: -37.070
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -51.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.467 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -571.615116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.615116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.615116 (E_RNA)
where:
Base-Base interactions energy: -399.326
where: short stacking energy: -165.784
Base-Backbone interact. energy: -0.698
local terms energy: -171.590815
where:
bonds (distance) C4'-P energy: -27.375
bonds (distance) P-C4' energy: -38.763
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -25.388
tors. eta vs tors. theta energy: -45.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -531.341824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.341824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.341824 (E_RNA)
where:
Base-Base interactions energy: -359.156
where: short stacking energy: -172.088
Base-Backbone interact. energy: -0.339
local terms energy: -172.545511
where:
bonds (distance) C4'-P energy: -32.088
bonds (distance) P-C4' energy: -31.522
flat angles C4'-P-C4' energy: -35.555
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -52.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.698 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -530.732884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.732884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.732884 (E_RNA)
where:
Base-Base interactions energy: -365.331
where: short stacking energy: -155.534
Base-Backbone interact. energy: 0.170
local terms energy: -165.571885
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -33.877
flat angles C4'-P-C4' energy: -33.193
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -43.228
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: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -450.186304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.186304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.186304 (E_RNA)
where:
Base-Base interactions energy: -298.752
where: short stacking energy: -130.577
Base-Backbone interact. energy: 1.141
local terms energy: -152.574978
where:
bonds (distance) C4'-P energy: -28.098
bonds (distance) P-C4' energy: -31.836
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -22.086
tors. eta vs tors. theta energy: -35.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -423.012739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.012739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.012739 (E_RNA)
where:
Base-Base interactions energy: -285.562
where: short stacking energy: -128.361
Base-Backbone interact. energy: 0.026
local terms energy: -137.476448
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -31.869
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -33.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -448.342613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.342613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.342613 (E_RNA)
where:
Base-Base interactions energy: -295.606
where: short stacking energy: -134.876
Base-Backbone interact. energy: 1.080
local terms energy: -153.815870
where:
bonds (distance) C4'-P energy: -30.864
bonds (distance) P-C4' energy: -29.165
flat angles C4'-P-C4' energy: -31.447
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -41.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -305.966586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.966586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.966586 (E_RNA)
where:
Base-Base interactions energy: -185.922
where: short stacking energy: -89.804
Base-Backbone interact. energy: -0.428
local terms energy: -119.616002
where:
bonds (distance) C4'-P energy: -29.967
bonds (distance) P-C4' energy: -35.231
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -19.482
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: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -152.255768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.255768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.255768 (E_RNA)
where:
Base-Base interactions energy: -56.774
where: short stacking energy: -49.529
Base-Backbone interact. energy: 2.265
local terms energy: -97.746842
where:
bonds (distance) C4'-P energy: -28.462
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: 2.182
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: 375
Temperature: 1.350000
Total energy: -145.779711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.779711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.779711 (E_RNA)
where:
Base-Base interactions energy: -46.556
where: short stacking energy: -43.318
Base-Backbone interact. energy: -1.231
local terms energy: -97.992042
where:
bonds (distance) C4'-P energy: -35.960
bonds (distance) P-C4' energy: -26.079
flat angles C4'-P-C4' energy: -19.930
flat angles P-C4'-P energy: -17.568
tors. eta vs tors. theta energy: 1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -580.222149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.222149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.222149 (E_RNA)
where:
Base-Base interactions energy: -405.305
where: short stacking energy: -162.062
Base-Backbone interact. energy: -1.104
local terms energy: -173.813748
where:
bonds (distance) C4'-P energy: -34.740
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -38.503
flat angles P-C4'-P energy: -21.818
tors. eta vs tors. theta energy: -45.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -555.137654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.137654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.137654 (E_RNA)
where:
Base-Base interactions energy: -385.499
where: short stacking energy: -172.898
Base-Backbone interact. energy: 0.290
local terms energy: -170.226034
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -35.246
flat angles C4'-P-C4' energy: -34.139
flat angles P-C4'-P energy: -22.983
tors. eta vs tors. theta energy: -50.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.297 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -515.276389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.276389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.276389 (E_RNA)
where:
Base-Base interactions energy: -353.004
where: short stacking energy: -131.826
Base-Backbone interact. energy: -0.075
local terms energy: -162.196964
where:
bonds (distance) C4'-P energy: -35.559
bonds (distance) P-C4' energy: -29.996
flat angles C4'-P-C4' energy: -31.484
flat angles P-C4'-P energy: -26.538
tors. eta vs tors. theta energy: -38.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -520.866544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.866544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.866544 (E_RNA)
where:
Base-Base interactions energy: -363.084
where: short stacking energy: -135.501
Base-Backbone interact. energy: -1.625
local terms energy: -158.256792
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -37.101
flat angles C4'-P-C4' energy: -37.118
flat angles P-C4'-P energy: -24.600
tors. eta vs tors. theta energy: -39.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.099 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -456.011232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.011232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.011232 (E_RNA)
where:
Base-Base interactions energy: -302.492
where: short stacking energy: -131.081
Base-Backbone interact. energy: 0.119
local terms energy: -153.638013
where:
bonds (distance) C4'-P energy: -28.396
bonds (distance) P-C4' energy: -33.418
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -18.941
tors. eta vs tors. theta energy: -38.935
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: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -442.710767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.710767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.710767 (E_RNA)
where:
Base-Base interactions energy: -294.192
where: short stacking energy: -122.108
Base-Backbone interact. energy: -0.169
local terms energy: -148.349803
where:
bonds (distance) C4'-P energy: -30.130
bonds (distance) P-C4' energy: -32.235
flat angles C4'-P-C4' energy: -29.587
flat angles P-C4'-P energy: -27.359
tors. eta vs tors. theta energy: -29.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -419.534801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.534801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.534801 (E_RNA)
where:
Base-Base interactions energy: -282.557
where: short stacking energy: -134.919
Base-Backbone interact. energy: -0.306
local terms energy: -137.132601
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -30.627
flat angles C4'-P-C4' energy: -28.206
flat angles P-C4'-P energy: -19.620
tors. eta vs tors. theta energy: -33.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.460 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -313.027173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.027173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.027173 (E_RNA)
where:
Base-Base interactions energy: -177.634
where: short stacking energy: -84.155
Base-Backbone interact. energy: -0.512
local terms energy: -134.880842
where:
bonds (distance) C4'-P energy: -30.787
bonds (distance) P-C4' energy: -33.368
flat angles C4'-P-C4' energy: -32.830
flat angles P-C4'-P energy: -19.548
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: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -162.075551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.075551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.075551 (E_RNA)
where:
Base-Base interactions energy: -72.382
where: short stacking energy: -41.306
Base-Backbone interact. energy: 0.079
local terms energy: -89.772268
where:
bonds (distance) C4'-P energy: -35.642
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -26.245
flat angles P-C4'-P energy: -3.771
tors. eta vs tors. theta energy: 0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -153.764897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.764897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.764897 (E_RNA)
where:
Base-Base interactions energy: -56.956
where: short stacking energy: -45.978
Base-Backbone interact. energy: -0.476
local terms energy: -96.333137
where:
bonds (distance) C4'-P energy: -34.926
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -28.019
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: 3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -595.770489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.770489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.770489 (E_RNA)
where:
Base-Base interactions energy: -406.335
where: short stacking energy: -173.846
Base-Backbone interact. energy: -0.283
local terms energy: -189.151566
where:
bonds (distance) C4'-P energy: -35.065
bonds (distance) P-C4' energy: -38.250
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -32.961
tors. eta vs tors. theta energy: -50.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -559.552060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.552060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.552060 (E_RNA)
where:
Base-Base interactions energy: -385.815
where: short stacking energy: -163.557
Base-Backbone interact. energy: -0.030
local terms energy: -173.707093
where:
bonds (distance) C4'-P energy: -38.985
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: -50.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -512.222912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.222912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.222912 (E_RNA)
where:
Base-Base interactions energy: -348.413
where: short stacking energy: -136.923
Base-Backbone interact. energy: -0.701
local terms energy: -163.108452
where:
bonds (distance) C4'-P energy: -32.601
bonds (distance) P-C4' energy: -35.610
flat angles C4'-P-C4' energy: -34.293
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -34.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -515.128119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.128119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.128119 (E_RNA)
where:
Base-Base interactions energy: -349.479
where: short stacking energy: -142.703
Base-Backbone interact. energy: -1.306
local terms energy: -164.505488
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -35.672
flat angles P-C4'-P energy: -27.854
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: 0.163 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -466.271992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.271992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.271992 (E_RNA)
where:
Base-Base interactions energy: -308.934
where: short stacking energy: -123.862
Base-Backbone interact. energy: -0.884
local terms energy: -157.239526
where:
bonds (distance) C4'-P energy: -35.025
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -37.145
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -39.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.786 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -449.283257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.283257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.283257 (E_RNA)
where:
Base-Base interactions energy: -294.687
where: short stacking energy: -121.016
Base-Backbone interact. energy: -0.296
local terms energy: -154.300759
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -34.187
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -35.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -437.886787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.886787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.886787 (E_RNA)
where:
Base-Base interactions energy: -292.378
where: short stacking energy: -123.671
Base-Backbone interact. energy: -0.245
local terms energy: -145.625243
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -27.693
flat angles C4'-P-C4' energy: -34.407
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -39.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.361 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -318.782276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.782276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.782276 (E_RNA)
where:
Base-Base interactions energy: -215.689
where: short stacking energy: -85.673
Base-Backbone interact. energy: 0.226
local terms energy: -103.319607
where:
bonds (distance) C4'-P energy: -23.461
bonds (distance) P-C4' energy: -25.547
flat angles C4'-P-C4' energy: -25.136
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -197.969645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.969645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.969645 (E_RNA)
where:
Base-Base interactions energy: -90.084
where: short stacking energy: -58.738
Base-Backbone interact. energy: 0.152
local terms energy: -108.037277
where:
bonds (distance) C4'-P energy: -29.164
bonds (distance) P-C4' energy: -24.990
flat angles C4'-P-C4' energy: -32.623
flat angles P-C4'-P energy: -9.733
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: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -155.848364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.848364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.848364 (E_RNA)
where:
Base-Base interactions energy: -59.462
where: short stacking energy: -35.828
Base-Backbone interact. energy: -1.266
local terms energy: -95.120289
where:
bonds (distance) C4'-P energy: -31.530
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -588.711953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.711953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.711953 (E_RNA)
where:
Base-Base interactions energy: -412.053
where: short stacking energy: -163.226
Base-Backbone interact. energy: -1.497
local terms energy: -175.161663
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -35.322
flat angles C4'-P-C4' energy: -38.214
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -48.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -571.411866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.411866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.411866 (E_RNA)
where:
Base-Base interactions energy: -389.905
where: short stacking energy: -172.940
Base-Backbone interact. energy: -0.049
local terms energy: -181.457065
where:
bonds (distance) C4'-P energy: -37.471
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -54.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -522.389868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.389868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.389868 (E_RNA)
where:
Base-Base interactions energy: -357.001
where: short stacking energy: -146.439
Base-Backbone interact. energy: -0.327
local terms energy: -165.061448
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -29.810
flat angles C4'-P-C4' energy: -37.028
flat angles P-C4'-P energy: -23.166
tors. eta vs tors. theta energy: -50.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -535.855566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.855566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.855566 (E_RNA)
where:
Base-Base interactions energy: -370.767
where: short stacking energy: -142.565
Base-Backbone interact. energy: -0.006
local terms energy: -165.082357
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -37.843
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -42.280
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: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -443.844761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.844761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.844761 (E_RNA)
where:
Base-Base interactions energy: -288.564
where: short stacking energy: -125.335
Base-Backbone interact. energy: -1.090
local terms energy: -154.191354
where:
bonds (distance) C4'-P energy: -33.788
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -30.790
flat angles P-C4'-P energy: -25.895
tors. eta vs tors. theta energy: -39.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -444.950506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.950506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.950506 (E_RNA)
where:
Base-Base interactions energy: -286.473
where: short stacking energy: -130.829
Base-Backbone interact. energy: -1.516
local terms energy: -158.262106
where:
bonds (distance) C4'-P energy: -31.873
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -38.182
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -39.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.300 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -443.024705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.024705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.024705 (E_RNA)
where:
Base-Base interactions energy: -299.475
where: short stacking energy: -130.147
Base-Backbone interact. energy: 0.797
local terms energy: -147.816087
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -31.166
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -18.878
tors. eta vs tors. theta energy: -34.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.469 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -294.772865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.772865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.772865 (E_RNA)
where:
Base-Base interactions energy: -180.051
where: short stacking energy: -96.252
Base-Backbone interact. energy: 1.673
local terms energy: -116.394598
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -31.429
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -12.671
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: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -154.528293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.528293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.528293 (E_RNA)
where:
Base-Base interactions energy: -59.142
where: short stacking energy: -44.058
Base-Backbone interact. energy: 1.885
local terms energy: -97.271087
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -161.360002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.360002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.360002 (E_RNA)
where:
Base-Base interactions energy: -66.102
where: short stacking energy: -46.141
Base-Backbone interact. energy: -0.333
local terms energy: -94.925491
where:
bonds (distance) C4'-P energy: -29.278
bonds (distance) P-C4' energy: -28.613
flat angles C4'-P-C4' energy: -21.785
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: 0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -575.367438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.367438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.367438 (E_RNA)
where:
Base-Base interactions energy: -391.957
where: short stacking energy: -160.420
Base-Backbone interact. energy: -0.441
local terms energy: -183.042333
where:
bonds (distance) C4'-P energy: -36.404
bonds (distance) P-C4' energy: -38.891
flat angles C4'-P-C4' energy: -35.537
flat angles P-C4'-P energy: -20.776
tors. eta vs tors. theta energy: -51.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.073 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -579.138457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.138457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.138457 (E_RNA)
where:
Base-Base interactions energy: -398.033
where: short stacking energy: -173.777
Base-Backbone interact. energy: 2.190
local terms energy: -183.295281
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -40.190
flat angles P-C4'-P energy: -21.462
tors. eta vs tors. theta energy: -59.015
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: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -551.355016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.355016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.355016 (E_RNA)
where:
Base-Base interactions energy: -375.378
where: short stacking energy: -173.936
Base-Backbone interact. energy: -0.053
local terms energy: -175.924247
where:
bonds (distance) C4'-P energy: -29.990
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -28.182
tors. eta vs tors. theta energy: -52.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -522.654421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.654421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.654421 (E_RNA)
where:
Base-Base interactions energy: -366.171
where: short stacking energy: -139.298
Base-Backbone interact. energy: -0.156
local terms energy: -156.328321
where:
bonds (distance) C4'-P energy: -33.567
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -24.744
tors. eta vs tors. theta energy: -40.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -446.212390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.212390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.212390 (E_RNA)
where:
Base-Base interactions energy: -305.466
where: short stacking energy: -135.528
Base-Backbone interact. energy: -1.386
local terms energy: -139.360111
where:
bonds (distance) C4'-P energy: -34.449
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -31.756
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -34.441
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: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -415.731305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.731305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.731305 (E_RNA)
where:
Base-Base interactions energy: -274.084
where: short stacking energy: -115.642
Base-Backbone interact. energy: -0.713
local terms energy: -140.934819
where:
bonds (distance) C4'-P energy: -27.448
bonds (distance) P-C4' energy: -30.722
flat angles C4'-P-C4' energy: -39.221
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -24.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -428.240891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.240891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.240891 (E_RNA)
where:
Base-Base interactions energy: -295.996
where: short stacking energy: -129.479
Base-Backbone interact. energy: -0.601
local terms energy: -131.643302
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -25.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -288.514031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.514031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.514031 (E_RNA)
where:
Base-Base interactions energy: -174.916
where: short stacking energy: -95.511
Base-Backbone interact. energy: -0.896
local terms energy: -112.702688
where:
bonds (distance) C4'-P energy: -29.041
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -18.910
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: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -201.474870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.474870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.474870 (E_RNA)
where:
Base-Base interactions energy: -110.152
where: short stacking energy: -63.822
Base-Backbone interact. energy: -0.709
local terms energy: -90.614520
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -35.224
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -7.160
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: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -171.274272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.274272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.274272 (E_RNA)
where:
Base-Base interactions energy: -68.634
where: short stacking energy: -59.817
Base-Backbone interact. energy: 1.283
local terms energy: -103.923097
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -34.482
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -573.309613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.309613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.309613 (E_RNA)
where:
Base-Base interactions energy: -391.178
where: short stacking energy: -170.486
Base-Backbone interact. energy: -0.501
local terms energy: -181.631412
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -35.927
flat angles C4'-P-C4' energy: -37.027
flat angles P-C4'-P energy: -23.152
tors. eta vs tors. theta energy: -55.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -571.556632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.556632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.556632 (E_RNA)
where:
Base-Base interactions energy: -390.737
where: short stacking energy: -164.456
Base-Backbone interact. energy: 0.669
local terms energy: -181.488606
where:
bonds (distance) C4'-P energy: -30.373
bonds (distance) P-C4' energy: -37.937
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -28.800
tors. eta vs tors. theta energy: -47.851
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: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -536.050085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.050085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.050085 (E_RNA)
where:
Base-Base interactions energy: -368.823
where: short stacking energy: -143.432
Base-Backbone interact. energy: -0.071
local terms energy: -167.156392
where:
bonds (distance) C4'-P energy: -39.757
bonds (distance) P-C4' energy: -32.645
flat angles C4'-P-C4' energy: -33.112
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -43.227
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: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -521.856321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.856321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.856321 (E_RNA)
where:
Base-Base interactions energy: -348.968
where: short stacking energy: -148.310
Base-Backbone interact. energy: -0.046
local terms energy: -173.047042
where:
bonds (distance) C4'-P energy: -25.426
bonds (distance) P-C4' energy: -39.686
flat angles C4'-P-C4' energy: -38.274
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -47.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.205 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -461.402074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.402074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.402074 (E_RNA)
where:
Base-Base interactions energy: -299.048
where: short stacking energy: -130.652
Base-Backbone interact. energy: 0.917
local terms energy: -163.271331
where:
bonds (distance) C4'-P energy: -32.900
bonds (distance) P-C4' energy: -39.752
flat angles C4'-P-C4' energy: -34.589
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -38.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -436.472428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.472428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.472428 (E_RNA)
where:
Base-Base interactions energy: -295.040
where: short stacking energy: -130.808
Base-Backbone interact. energy: -0.858
local terms energy: -140.574179
where:
bonds (distance) C4'-P energy: -28.405
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -39.088
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -36.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -411.320493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.320493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.320493 (E_RNA)
where:
Base-Base interactions energy: -274.656
where: short stacking energy: -114.102
Base-Backbone interact. energy: 0.576
local terms energy: -137.239769
where:
bonds (distance) C4'-P energy: -24.675
bonds (distance) P-C4' energy: -28.602
flat angles C4'-P-C4' energy: -33.619
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: -29.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -282.831643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.831643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.831643 (E_RNA)
where:
Base-Base interactions energy: -157.517
where: short stacking energy: -88.638
Base-Backbone interact. energy: -0.683
local terms energy: -124.631121
where:
bonds (distance) C4'-P energy: -25.082
bonds (distance) P-C4' energy: -32.358
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -21.902
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -205.028901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.028901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.028901 (E_RNA)
where:
Base-Base interactions energy: -100.355
where: short stacking energy: -42.688
Base-Backbone interact. energy: 0.359
local terms energy: -105.032684
where:
bonds (distance) C4'-P energy: -32.014
bonds (distance) P-C4' energy: -33.630
flat angles C4'-P-C4' energy: -25.201
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: 2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -141.962987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.962987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.962987 (E_RNA)
where:
Base-Base interactions energy: -54.608
where: short stacking energy: -46.162
Base-Backbone interact. energy: -0.765
local terms energy: -86.590691
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -30.756
flat angles C4'-P-C4' energy: -24.833
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: 6.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -584.868883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.868883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.868883 (E_RNA)
where:
Base-Base interactions energy: -403.511
where: short stacking energy: -184.023
Base-Backbone interact. energy: -0.495
local terms energy: -180.862373
where:
bonds (distance) C4'-P energy: -30.949
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -36.729
flat angles P-C4'-P energy: -26.063
tors. eta vs tors. theta energy: -59.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -577.794532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.794532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.794532 (E_RNA)
where:
Base-Base interactions energy: -400.667
where: short stacking energy: -158.423
Base-Backbone interact. energy: -0.513
local terms energy: -176.615063
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -38.441
flat angles C4'-P-C4' energy: -37.235
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -43.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -535.180539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.180539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.180539 (E_RNA)
where:
Base-Base interactions energy: -361.212
where: short stacking energy: -145.936
Base-Backbone interact. energy: -0.407
local terms energy: -173.562217
where:
bonds (distance) C4'-P energy: -38.701
bonds (distance) P-C4' energy: -34.121
flat angles C4'-P-C4' energy: -35.414
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -41.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -470.055148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.055148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.055148 (E_RNA)
where:
Base-Base interactions energy: -310.190
where: short stacking energy: -139.411
Base-Backbone interact. energy: -0.397
local terms energy: -159.746538
where:
bonds (distance) C4'-P energy: -30.957
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -39.206
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -38.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.279 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -492.262475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.262475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.262475 (E_RNA)
where:
Base-Base interactions energy: -322.734
where: short stacking energy: -147.784
Base-Backbone interact. energy: -0.279
local terms energy: -169.339509
where:
bonds (distance) C4'-P energy: -32.199
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -36.204
flat angles P-C4'-P energy: -27.282
tors. eta vs tors. theta energy: -47.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.090 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -442.221621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.221621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.221621 (E_RNA)
where:
Base-Base interactions energy: -299.028
where: short stacking energy: -120.237
Base-Backbone interact. energy: -1.182
local terms energy: -142.397912
where:
bonds (distance) C4'-P energy: -35.082
bonds (distance) P-C4' energy: -24.790
flat angles C4'-P-C4' energy: -36.007
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -25.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.387 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -443.936616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.936616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.936616 (E_RNA)
where:
Base-Base interactions energy: -288.781
where: short stacking energy: -112.420
Base-Backbone interact. energy: -0.881
local terms energy: -154.275084
where:
bonds (distance) C4'-P energy: -34.567
bonds (distance) P-C4' energy: -34.211
flat angles C4'-P-C4' energy: -33.447
flat angles P-C4'-P energy: -20.947
tors. eta vs tors. theta energy: -31.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -213.871544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.871544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.871544 (E_RNA)
where:
Base-Base interactions energy: -116.003
where: short stacking energy: -59.729
Base-Backbone interact. energy: 0.158
local terms energy: -99.922733
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -30.135
flat angles C4'-P-C4' energy: -28.890
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: 2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.897 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -277.912307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.912307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.912307 (E_RNA)
where:
Base-Base interactions energy: -148.398
where: short stacking energy: -64.645
Base-Backbone interact. energy: -0.786
local terms energy: -128.728777
where:
bonds (distance) C4'-P energy: -32.734
bonds (distance) P-C4' energy: -31.368
flat angles C4'-P-C4' energy: -30.823
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -150.815029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.815029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.815029 (E_RNA)
where:
Base-Base interactions energy: -56.053
where: short stacking energy: -43.653
Base-Backbone interact. energy: -0.749
local terms energy: -94.013532
where:
bonds (distance) C4'-P energy: -24.994
bonds (distance) P-C4' energy: -31.100
flat angles C4'-P-C4' energy: -26.215
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: 4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -583.465689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.465689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.465689 (E_RNA)
where:
Base-Base interactions energy: -398.278
where: short stacking energy: -187.463
Base-Backbone interact. energy: -0.396
local terms energy: -184.791921
where:
bonds (distance) C4'-P energy: -29.291
bonds (distance) P-C4' energy: -30.874
flat angles C4'-P-C4' energy: -39.378
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -58.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -536.703671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.703671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.703671 (E_RNA)
where:
Base-Base interactions energy: -364.668
where: short stacking energy: -151.739
Base-Backbone interact. energy: -0.567
local terms energy: -171.951740
where:
bonds (distance) C4'-P energy: -28.595
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -28.414
tors. eta vs tors. theta energy: -41.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.484 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -531.091729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.091729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.091729 (E_RNA)
where:
Base-Base interactions energy: -363.637
where: short stacking energy: -153.038
Base-Backbone interact. energy: -0.175
local terms energy: -167.279342
where:
bonds (distance) C4'-P energy: -32.047
bonds (distance) P-C4' energy: -37.109
flat angles C4'-P-C4' energy: -34.075
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -42.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -461.575560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.575560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.575560 (E_RNA)
where:
Base-Base interactions energy: -296.362
where: short stacking energy: -136.394
Base-Backbone interact. energy: 2.270
local terms energy: -167.482960
where:
bonds (distance) C4'-P energy: -35.258
bonds (distance) P-C4' energy: -31.968
flat angles C4'-P-C4' energy: -35.269
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -40.840
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: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -518.208888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.208888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.208888 (E_RNA)
where:
Base-Base interactions energy: -355.498
where: short stacking energy: -151.083
Base-Backbone interact. energy: -0.094
local terms energy: -162.819850
where:
bonds (distance) C4'-P energy: -32.121
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -32.888
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -44.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.203 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -447.591216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.591216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.591216 (E_RNA)
where:
Base-Base interactions energy: -294.144
where: short stacking energy: -126.406
Base-Backbone interact. energy: -1.564
local terms energy: -151.882784
where:
bonds (distance) C4'-P energy: -28.079
bonds (distance) P-C4' energy: -37.782
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -35.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -416.543616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.543616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.543616 (E_RNA)
where:
Base-Base interactions energy: -274.861
where: short stacking energy: -122.486
Base-Backbone interact. energy: -1.473
local terms energy: -140.210175
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -33.767
flat angles C4'-P-C4' energy: -36.245
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -34.178
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: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -205.230766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.230766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.230766 (E_RNA)
where:
Base-Base interactions energy: -98.782
where: short stacking energy: -58.283
Base-Backbone interact. energy: 0.204
local terms energy: -106.970775
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -32.225
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.318 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -290.619183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.619183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.619183 (E_RNA)
where:
Base-Base interactions energy: -165.941
where: short stacking energy: -68.395
Base-Backbone interact. energy: -0.681
local terms energy: -123.997213
where:
bonds (distance) C4'-P energy: -26.194
bonds (distance) P-C4' energy: -29.335
flat angles C4'-P-C4' energy: -36.925
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: -8.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -162.354343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.354343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.354343 (E_RNA)
where:
Base-Base interactions energy: -69.854
where: short stacking energy: -53.869
Base-Backbone interact. energy: -0.840
local terms energy: -91.660704
where:
bonds (distance) C4'-P energy: -30.269
bonds (distance) P-C4' energy: -30.807
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -15.952
tors. eta vs tors. theta energy: 7.514
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: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -574.470475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.470475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.470475 (E_RNA)
where:
Base-Base interactions energy: -381.233
where: short stacking energy: -171.815
Base-Backbone interact. energy: -0.654
local terms energy: -192.583074
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -37.824
flat angles C4'-P-C4' energy: -41.567
flat angles P-C4'-P energy: -24.923
tors. eta vs tors. theta energy: -55.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -538.376638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.376638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.376638 (E_RNA)
where:
Base-Base interactions energy: -373.025
where: short stacking energy: -155.553
Base-Backbone interact. energy: -0.452
local terms energy: -164.899861
where:
bonds (distance) C4'-P energy: -30.122
bonds (distance) P-C4' energy: -33.100
flat angles C4'-P-C4' energy: -31.468
flat angles P-C4'-P energy: -27.589
tors. eta vs tors. theta energy: -42.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -530.213442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.213442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.213442 (E_RNA)
where:
Base-Base interactions energy: -366.286
where: short stacking energy: -147.736
Base-Backbone interact. energy: -0.674
local terms energy: -163.799097
where:
bonds (distance) C4'-P energy: -30.811
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -33.948
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: -39.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.546 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -535.383216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.383216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.383216 (E_RNA)
where:
Base-Base interactions energy: -360.335
where: short stacking energy: -167.940
Base-Backbone interact. energy: -0.006
local terms energy: -182.682076
where:
bonds (distance) C4'-P energy: -27.094
bonds (distance) P-C4' energy: -39.887
flat angles C4'-P-C4' energy: -36.823
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -57.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 7.640 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -465.203312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.203312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.203312 (E_RNA)
where:
Base-Base interactions energy: -304.499
where: short stacking energy: -132.543
Base-Backbone interact. energy: -0.376
local terms energy: -161.161131
where:
bonds (distance) C4'-P energy: -32.773
bonds (distance) P-C4' energy: -33.812
flat angles C4'-P-C4' energy: -34.334
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -38.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.832 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -436.326211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.326211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.326211 (E_RNA)
where:
Base-Base interactions energy: -289.358
where: short stacking energy: -132.158
Base-Backbone interact. energy: -0.091
local terms energy: -146.919897
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -37.456
flat angles C4'-P-C4' energy: -34.164
flat angles P-C4'-P energy: -18.696
tors. eta vs tors. theta energy: -31.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.043 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -431.758178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.758178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.758178 (E_RNA)
where:
Base-Base interactions energy: -296.607
where: short stacking energy: -134.229
Base-Backbone interact. energy: 1.169
local terms energy: -136.320065
where:
bonds (distance) C4'-P energy: -25.795
bonds (distance) P-C4' energy: -28.282
flat angles C4'-P-C4' energy: -33.038
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -33.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -277.337366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.337366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.337366 (E_RNA)
where:
Base-Base interactions energy: -152.250
where: short stacking energy: -75.395
Base-Backbone interact. energy: -0.495
local terms energy: -124.592311
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -33.246
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -169.094434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.094434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.094434 (E_RNA)
where:
Base-Base interactions energy: -77.880
where: short stacking energy: -49.564
Base-Backbone interact. energy: 1.127
local terms energy: -92.341168
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -29.058
flat angles C4'-P-C4' energy: -33.283
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: 7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -145.267847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.267847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.267847 (E_RNA)
where:
Base-Base interactions energy: -64.514
where: short stacking energy: -44.698
Base-Backbone interact. energy: -0.194
local terms energy: -81.668632
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -26.154
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: 4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.108 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -582.552471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.552471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.552471 (E_RNA)
where:
Base-Base interactions energy: -404.371
where: short stacking energy: -178.746
Base-Backbone interact. energy: 0.090
local terms energy: -182.775752
where:
bonds (distance) C4'-P energy: -33.906
bonds (distance) P-C4' energy: -32.487
flat angles C4'-P-C4' energy: -35.683
flat angles P-C4'-P energy: -27.210
tors. eta vs tors. theta energy: -53.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.504 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -541.923693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.923693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.923693 (E_RNA)
where:
Base-Base interactions energy: -372.856
where: short stacking energy: -155.822
Base-Backbone interact. energy: 0.219
local terms energy: -169.287050
where:
bonds (distance) C4'-P energy: -33.108
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -34.181
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -45.131
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: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -543.977205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.977205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.977205 (E_RNA)
where:
Base-Base interactions energy: -367.142
where: short stacking energy: -169.318
Base-Backbone interact. energy: -0.050
local terms energy: -176.785127
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -31.290
flat angles C4'-P-C4' energy: -39.709
flat angles P-C4'-P energy: -29.527
tors. eta vs tors. theta energy: -51.952
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: 4, replica: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -495.560533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.560533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.560533 (E_RNA)
where:
Base-Base interactions energy: -336.762
where: short stacking energy: -134.345
Base-Backbone interact. energy: -0.281
local terms energy: -158.517481
where:
bonds (distance) C4'-P energy: -29.213
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -38.001
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -38.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -482.775004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.775004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.775004 (E_RNA)
where:
Base-Base interactions energy: -325.408
where: short stacking energy: -126.060
Base-Backbone interact. energy: -2.205
local terms energy: -157.157579
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -25.891
tors. eta vs tors. theta energy: -35.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.996 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -434.587611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.587611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.587611 (E_RNA)
where:
Base-Base interactions energy: -291.404
where: short stacking energy: -133.680
Base-Backbone interact. energy: -0.212
local terms energy: -144.399237
where:
bonds (distance) C4'-P energy: -32.979
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -34.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.427 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -428.594788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.594788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.594788 (E_RNA)
where:
Base-Base interactions energy: -283.744
where: short stacking energy: -112.110
Base-Backbone interact. energy: 0.360
local terms energy: -145.210508
where:
bonds (distance) C4'-P energy: -32.522
bonds (distance) P-C4' energy: -24.854
flat angles C4'-P-C4' energy: -31.798
flat angles P-C4'-P energy: -28.498
tors. eta vs tors. theta energy: -27.538
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: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -291.770890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.770890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.770890 (E_RNA)
where:
Base-Base interactions energy: -170.570
where: short stacking energy: -94.716
Base-Backbone interact. energy: -1.036
local terms energy: -120.165096
where:
bonds (distance) C4'-P energy: -23.000
bonds (distance) P-C4' energy: -26.210
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -19.054
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: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -159.938812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.938812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.938812 (E_RNA)
where:
Base-Base interactions energy: -64.990
where: short stacking energy: -39.947
Base-Backbone interact. energy: -0.362
local terms energy: -94.586554
where:
bonds (distance) C4'-P energy: -21.323
bonds (distance) P-C4' energy: -27.513
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: 2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -148.732870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.732870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.732870 (E_RNA)
where:
Base-Base interactions energy: -57.472
where: short stacking energy: -41.607
Base-Backbone interact. energy: 0.742
local terms energy: -92.002694
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -38.389
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: 5.945
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: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -599.030175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.030175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.030175 (E_RNA)
where:
Base-Base interactions energy: -408.812
where: short stacking energy: -178.929
Base-Backbone interact. energy: -0.457
local terms energy: -191.605213
where:
bonds (distance) C4'-P energy: -36.746
bonds (distance) P-C4' energy: -35.553
flat angles C4'-P-C4' energy: -37.938
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -55.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.845 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -565.127063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.127063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.127063 (E_RNA)
where:
Base-Base interactions energy: -386.113
where: short stacking energy: -169.013
Base-Backbone interact. energy: -0.069
local terms energy: -179.098362
where:
bonds (distance) C4'-P energy: -30.281
bonds (distance) P-C4' energy: -33.524
flat angles C4'-P-C4' energy: -37.913
flat angles P-C4'-P energy: -26.491
tors. eta vs tors. theta energy: -50.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.154 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -528.216975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.216975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.216975 (E_RNA)
where:
Base-Base interactions energy: -349.718
where: short stacking energy: -152.637
Base-Backbone interact. energy: 0.621
local terms energy: -179.120070
where:
bonds (distance) C4'-P energy: -29.152
bonds (distance) P-C4' energy: -34.170
flat angles C4'-P-C4' energy: -34.996
flat angles P-C4'-P energy: -29.281
tors. eta vs tors. theta energy: -51.521
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: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -511.809419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.809419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.809419 (E_RNA)
where:
Base-Base interactions energy: -336.554
where: short stacking energy: -142.717
Base-Backbone interact. energy: -0.885
local terms energy: -174.427401
where:
bonds (distance) C4'-P energy: -35.491
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -25.675
tors. eta vs tors. theta energy: -45.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.057 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -450.444093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.444093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.444093 (E_RNA)
where:
Base-Base interactions energy: -289.319
where: short stacking energy: -128.023
Base-Backbone interact. energy: -0.865
local terms energy: -160.304054
where:
bonds (distance) C4'-P energy: -31.825
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -33.388
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -36.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -448.497124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.497124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.497124 (E_RNA)
where:
Base-Base interactions energy: -295.001
where: short stacking energy: -123.062
Base-Backbone interact. energy: -0.602
local terms energy: -152.895054
where:
bonds (distance) C4'-P energy: -31.273
bonds (distance) P-C4' energy: -30.278
flat angles C4'-P-C4' energy: -33.455
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -31.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -413.256971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.256971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.256971 (E_RNA)
where:
Base-Base interactions energy: -265.928
where: short stacking energy: -110.193
Base-Backbone interact. energy: -0.241
local terms energy: -147.088205
where:
bonds (distance) C4'-P energy: -28.529
bonds (distance) P-C4' energy: -35.486
flat angles C4'-P-C4' energy: -31.905
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -32.339
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: 8, replica: 2
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -270.236185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.236185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.236185 (E_RNA)
where:
Base-Base interactions energy: -147.563
where: short stacking energy: -79.837
Base-Backbone interact. energy: -0.625
local terms energy: -122.048217
where:
bonds (distance) C4'-P energy: -33.488
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -36.581
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -165.643687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.643687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.643687 (E_RNA)
where:
Base-Base interactions energy: -77.226
where: short stacking energy: -44.488
Base-Backbone interact. energy: -0.896
local terms energy: -87.522421
where:
bonds (distance) C4'-P energy: -34.250
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: 7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -149.230586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.230586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.230586 (E_RNA)
where:
Base-Base interactions energy: -46.692
where: short stacking energy: -42.100
Base-Backbone interact. energy: 1.922
local terms energy: -104.460033
where:
bonds (distance) C4'-P energy: -35.559
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: 3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -569.008618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.008618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.008618 (E_RNA)
where:
Base-Base interactions energy: -390.113
where: short stacking energy: -179.673
Base-Backbone interact. energy: 0.128
local terms energy: -179.023728
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -38.140
flat angles C4'-P-C4' energy: -36.498
flat angles P-C4'-P energy: -24.824
tors. eta vs tors. theta energy: -56.248
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: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -553.225985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.225985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.225985 (E_RNA)
where:
Base-Base interactions energy: -376.516
where: short stacking energy: -169.546
Base-Backbone interact. energy: -0.146
local terms energy: -177.556012
where:
bonds (distance) C4'-P energy: -33.838
bonds (distance) P-C4' energy: -31.023
flat angles C4'-P-C4' energy: -36.588
flat angles P-C4'-P energy: -25.717
tors. eta vs tors. theta energy: -50.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.992 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -541.806429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.806429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.806429 (E_RNA)
where:
Base-Base interactions energy: -367.168
where: short stacking energy: -152.967
Base-Backbone interact. energy: -0.125
local terms energy: -174.513895
where:
bonds (distance) C4'-P energy: -32.832
bonds (distance) P-C4' energy: -39.001
flat angles C4'-P-C4' energy: -36.447
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -45.064
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: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -531.007394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.007394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.007394 (E_RNA)
where:
Base-Base interactions energy: -368.222
where: short stacking energy: -155.941
Base-Backbone interact. energy: -0.125
local terms energy: -164.073322
where:
bonds (distance) C4'-P energy: -27.026
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -38.079
flat angles P-C4'-P energy: -29.201
tors. eta vs tors. theta energy: -41.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.413 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -466.786604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.786604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.786604 (E_RNA)
where:
Base-Base interactions energy: -308.400
where: short stacking energy: -148.217
Base-Backbone interact. energy: 0.556
local terms energy: -158.942647
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -28.368
flat angles C4'-P-C4' energy: -32.301
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -43.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -432.138388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.138388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.138388 (E_RNA)
where:
Base-Base interactions energy: -280.141
where: short stacking energy: -121.582
Base-Backbone interact. energy: -0.189
local terms energy: -151.807571
where:
bonds (distance) C4'-P energy: -25.308
bonds (distance) P-C4' energy: -37.593
flat angles C4'-P-C4' energy: -34.134
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -30.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -420.957421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.957421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.957421 (E_RNA)
where:
Base-Base interactions energy: -279.023
where: short stacking energy: -114.981
Base-Backbone interact. energy: -0.614
local terms energy: -141.946671
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -25.021
flat angles C4'-P-C4' energy: -33.114
flat angles P-C4'-P energy: -20.902
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: 0.627 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -278.627777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.627777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.627777 (E_RNA)
where:
Base-Base interactions energy: -164.673
where: short stacking energy: -90.183
Base-Backbone interact. energy: -1.283
local terms energy: -112.671228
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -28.949
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -171.923117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.923117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.923117 (E_RNA)
where:
Base-Base interactions energy: -66.191
where: short stacking energy: -59.633
Base-Backbone interact. energy: 0.452
local terms energy: -106.184090
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -31.616
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -16.376
tors. eta vs tors. theta energy: -9.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -158.918629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.918629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.918629 (E_RNA)
where:
Base-Base interactions energy: -69.280
where: short stacking energy: -68.839
Base-Backbone interact. energy: 1.294
local terms energy: -90.932196
where:
bonds (distance) C4'-P energy: -27.578
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -21.320
flat angles P-C4'-P energy: -15.757
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: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -577.100316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.100316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.100316 (E_RNA)
where:
Base-Base interactions energy: -387.960
where: short stacking energy: -165.956
Base-Backbone interact. energy: -0.409
local terms energy: -189.079277
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -31.750
flat angles C4'-P-C4' energy: -37.106
flat angles P-C4'-P energy: -28.812
tors. eta vs tors. theta energy: -55.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.348 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -572.803148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.803148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.803148 (E_RNA)
where:
Base-Base interactions energy: -394.978
where: short stacking energy: -182.038
Base-Backbone interact. energy: -0.055
local terms energy: -177.951474
where:
bonds (distance) C4'-P energy: -26.329
bonds (distance) P-C4' energy: -33.600
flat angles C4'-P-C4' energy: -37.705
flat angles P-C4'-P energy: -24.461
tors. eta vs tors. theta energy: -55.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.182 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -523.767701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.767701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.767701 (E_RNA)
where:
Base-Base interactions energy: -361.994
where: short stacking energy: -150.029
Base-Backbone interact. energy: -0.318
local terms energy: -161.455922
where:
bonds (distance) C4'-P energy: -27.905
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -34.970
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: -38.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -526.014389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.014389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.014389 (E_RNA)
where:
Base-Base interactions energy: -364.438
where: short stacking energy: -148.309
Base-Backbone interact. energy: -0.462
local terms energy: -161.114637
where:
bonds (distance) C4'-P energy: -27.822
bonds (distance) P-C4' energy: -26.094
flat angles C4'-P-C4' energy: -37.916
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -46.495
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: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -449.860125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.860125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.860125 (E_RNA)
where:
Base-Base interactions energy: -299.745
where: short stacking energy: -135.324
Base-Backbone interact. energy: 1.433
local terms energy: -151.548380
where:
bonds (distance) C4'-P energy: -32.000
bonds (distance) P-C4' energy: -36.587
flat angles C4'-P-C4' energy: -26.012
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -33.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -468.106434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.106434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.106434 (E_RNA)
where:
Base-Base interactions energy: -306.942
where: short stacking energy: -131.550
Base-Backbone interact. energy: -0.938
local terms energy: -160.225916
where:
bonds (distance) C4'-P energy: -33.175
bonds (distance) P-C4' energy: -32.931
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -20.931
tors. eta vs tors. theta energy: -41.176
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: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -434.695114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.695114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.695114 (E_RNA)
where:
Base-Base interactions energy: -294.498
where: short stacking energy: -128.279
Base-Backbone interact. energy: -1.472
local terms energy: -138.725936
where:
bonds (distance) C4'-P energy: -22.619
bonds (distance) P-C4' energy: -29.319
flat angles C4'-P-C4' energy: -35.863
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -30.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -269.737152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.737152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.737152 (E_RNA)
where:
Base-Base interactions energy: -141.405
where: short stacking energy: -67.507
Base-Backbone interact. energy: -1.509
local terms energy: -126.823630
where:
bonds (distance) C4'-P energy: -30.159
bonds (distance) P-C4' energy: -37.849
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -22.676
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -166.949587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.949587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.949587 (E_RNA)
where:
Base-Base interactions energy: -61.029
where: short stacking energy: -43.883
Base-Backbone interact. energy: -0.306
local terms energy: -105.614301
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -36.883
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -23.500
tors. eta vs tors. theta energy: -4.024
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: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -156.928552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.928552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.928552 (E_RNA)
where:
Base-Base interactions energy: -66.438
where: short stacking energy: -48.075
Base-Backbone interact. energy: 0.827
local terms energy: -93.637026
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -27.231
flat angles P-C4'-P energy: -17.308
tors. eta vs tors. theta energy: 1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.320 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -591.774150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.774150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.774150 (E_RNA)
where:
Base-Base interactions energy: -404.363
where: short stacking energy: -177.372
Base-Backbone interact. energy: -1.443
local terms energy: -186.177245
where:
bonds (distance) C4'-P energy: -34.956
bonds (distance) P-C4' energy: -36.217
flat angles C4'-P-C4' energy: -35.389
flat angles P-C4'-P energy: -24.915
tors. eta vs tors. theta energy: -54.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.209 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -554.631144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.631144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.631144 (E_RNA)
where:
Base-Base interactions energy: -359.883
where: short stacking energy: -161.705
Base-Backbone interact. energy: -0.060
local terms energy: -194.687725
where:
bonds (distance) C4'-P energy: -37.886
bonds (distance) P-C4' energy: -37.173
flat angles C4'-P-C4' energy: -38.545
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: -51.731
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: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -569.881701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.881701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.881701 (E_RNA)
where:
Base-Base interactions energy: -394.844
where: short stacking energy: -167.461
Base-Backbone interact. energy: 0.461
local terms energy: -175.498738
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -33.627
flat angles C4'-P-C4' energy: -35.845
flat angles P-C4'-P energy: -29.592
tors. eta vs tors. theta energy: -50.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -513.666092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.666092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.666092 (E_RNA)
where:
Base-Base interactions energy: -356.413
where: short stacking energy: -138.176
Base-Backbone interact. energy: 0.827
local terms energy: -158.079957
where:
bonds (distance) C4'-P energy: -28.986
bonds (distance) P-C4' energy: -35.396
flat angles C4'-P-C4' energy: -36.532
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -34.172
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: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -450.622461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.622461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.622461 (E_RNA)
where:
Base-Base interactions energy: -293.514
where: short stacking energy: -143.332
Base-Backbone interact. energy: -0.522
local terms energy: -157.590186
where:
bonds (distance) C4'-P energy: -28.003
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -32.837
flat angles P-C4'-P energy: -27.703
tors. eta vs tors. theta energy: -36.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.004 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -441.016972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.016972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.016972 (E_RNA)
where:
Base-Base interactions energy: -289.814
where: short stacking energy: -119.574
Base-Backbone interact. energy: -0.092
local terms energy: -151.380709
where:
bonds (distance) C4'-P energy: -30.362
bonds (distance) P-C4' energy: -37.686
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -33.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.269 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -433.423845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.423845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.423845 (E_RNA)
where:
Base-Base interactions energy: -300.735
where: short stacking energy: -134.934
Base-Backbone interact. energy: 0.888
local terms energy: -133.576781
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -27.258
flat angles C4'-P-C4' energy: -30.808
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -33.990
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: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -272.412842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.412842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.412842 (E_RNA)
where:
Base-Base interactions energy: -150.803
where: short stacking energy: -72.713
Base-Backbone interact. energy: -1.214
local terms energy: -120.395614
where:
bonds (distance) C4'-P energy: -22.119
bonds (distance) P-C4' energy: -31.734
flat angles C4'-P-C4' energy: -26.717
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -161.683568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.683568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.683568 (E_RNA)
where:
Base-Base interactions energy: -75.514
where: short stacking energy: -36.293
Base-Backbone interact. energy: 0.063
local terms energy: -86.554344
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -29.612
flat angles C4'-P-C4' energy: -23.571
flat angles P-C4'-P energy: -13.818
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: 0.321 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -153.328846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.328846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.328846 (E_RNA)
where:
Base-Base interactions energy: -55.653
where: short stacking energy: -44.265
Base-Backbone interact. energy: -0.286
local terms energy: -97.389698
where:
bonds (distance) C4'-P energy: -28.006
bonds (distance) P-C4' energy: -34.946
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -584.071465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.071465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.071465 (E_RNA)
where:
Base-Base interactions energy: -397.351
where: short stacking energy: -171.366
Base-Backbone interact. energy: -0.807
local terms energy: -187.332222
where:
bonds (distance) C4'-P energy: -33.883
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -38.932
flat angles P-C4'-P energy: -25.578
tors. eta vs tors. theta energy: -51.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.419 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -554.236876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.236876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.236876 (E_RNA)
where:
Base-Base interactions energy: -376.789
where: short stacking energy: -154.144
Base-Backbone interact. energy: 2.703
local terms energy: -180.151621
where:
bonds (distance) C4'-P energy: -34.421
bonds (distance) P-C4' energy: -36.263
flat angles C4'-P-C4' energy: -37.972
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -43.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -535.993757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.993757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.993757 (E_RNA)
where:
Base-Base interactions energy: -365.371
where: short stacking energy: -151.138
Base-Backbone interact. energy: -0.293
local terms energy: -172.010471
where:
bonds (distance) C4'-P energy: -32.993
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -33.691
flat angles P-C4'-P energy: -27.275
tors. eta vs tors. theta energy: -46.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.681 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -518.531056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.531056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.531056 (E_RNA)
where:
Base-Base interactions energy: -363.978
where: short stacking energy: -154.416
Base-Backbone interact. energy: -0.624
local terms energy: -153.928894
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -35.242
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -41.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -462.644790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.644790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.644790 (E_RNA)
where:
Base-Base interactions energy: -300.660
where: short stacking energy: -132.289
Base-Backbone interact. energy: -0.427
local terms energy: -161.557642
where:
bonds (distance) C4'-P energy: -31.134
bonds (distance) P-C4' energy: -33.224
flat angles C4'-P-C4' energy: -34.678
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -38.608
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: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -449.885278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.885278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.885278 (E_RNA)
where:
Base-Base interactions energy: -298.917
where: short stacking energy: -131.066
Base-Backbone interact. energy: -0.687
local terms energy: -150.281179
where:
bonds (distance) C4'-P energy: -27.063
bonds (distance) P-C4' energy: -29.455
flat angles C4'-P-C4' energy: -34.214
flat angles P-C4'-P energy: -20.486
tors. eta vs tors. theta energy: -39.064
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: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -420.010351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.010351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.010351 (E_RNA)
where:
Base-Base interactions energy: -274.934
where: short stacking energy: -123.379
Base-Backbone interact. energy: 1.026
local terms energy: -146.102688
where:
bonds (distance) C4'-P energy: -28.905
bonds (distance) P-C4' energy: -32.626
flat angles C4'-P-C4' energy: -31.134
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -31.546
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: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -282.593298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.593298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.593298 (E_RNA)
where:
Base-Base interactions energy: -179.623
where: short stacking energy: -81.729
Base-Backbone interact. energy: 1.325
local terms energy: -104.294949
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -27.460
flat angles C4'-P-C4' energy: -22.552
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -151.699716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.699716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.699716 (E_RNA)
where:
Base-Base interactions energy: -46.381
where: short stacking energy: -42.854
Base-Backbone interact. energy: -0.467
local terms energy: -105.051547
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: 0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.200 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -162.681643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.681643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.681643 (E_RNA)
where:
Base-Base interactions energy: -63.913
where: short stacking energy: -47.771
Base-Backbone interact. energy: -1.639
local terms energy: -97.129218
where:
bonds (distance) C4'-P energy: -25.123
bonds (distance) P-C4' energy: -35.077
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -565.526463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.526463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.526463 (E_RNA)
where:
Base-Base interactions energy: -382.660
where: short stacking energy: -157.238
Base-Backbone interact. energy: -1.527
local terms energy: -181.339360
where:
bonds (distance) C4'-P energy: -35.362
bonds (distance) P-C4' energy: -35.162
flat angles C4'-P-C4' energy: -38.583
flat angles P-C4'-P energy: -27.476
tors. eta vs tors. theta energy: -44.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -578.219961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.219961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.219961 (E_RNA)
where:
Base-Base interactions energy: -388.881
where: short stacking energy: -180.205
Base-Backbone interact. energy: -0.338
local terms energy: -189.001258
where:
bonds (distance) C4'-P energy: -33.708
bonds (distance) P-C4' energy: -36.085
flat angles C4'-P-C4' energy: -35.465
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -58.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -552.750223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.750223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.750223 (E_RNA)
where:
Base-Base interactions energy: -369.991
where: short stacking energy: -161.392
Base-Backbone interact. energy: -0.054
local terms energy: -185.854026
where:
bonds (distance) C4'-P energy: -33.385
bonds (distance) P-C4' energy: -39.501
flat angles C4'-P-C4' energy: -37.305
flat angles P-C4'-P energy: -28.442
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: 3.149 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -532.327013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.327013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.327013 (E_RNA)
where:
Base-Base interactions energy: -376.079
where: short stacking energy: -149.220
Base-Backbone interact. energy: -0.606
local terms energy: -155.779455
where:
bonds (distance) C4'-P energy: -31.046
bonds (distance) P-C4' energy: -24.808
flat angles C4'-P-C4' energy: -34.588
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: -43.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.137 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -449.297038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.297038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.297038 (E_RNA)
where:
Base-Base interactions energy: -284.913
where: short stacking energy: -128.017
Base-Backbone interact. energy: -0.074
local terms energy: -164.309755
where:
bonds (distance) C4'-P energy: -31.432
bonds (distance) P-C4' energy: -37.801
flat angles C4'-P-C4' energy: -36.412
flat angles P-C4'-P energy: -24.091
tors. eta vs tors. theta energy: -34.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -451.216399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.216399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.216399 (E_RNA)
where:
Base-Base interactions energy: -292.148
where: short stacking energy: -130.762
Base-Backbone interact. energy: 1.128
local terms energy: -161.536670
where:
bonds (distance) C4'-P energy: -36.743
bonds (distance) P-C4' energy: -33.868
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.340 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -444.608429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.608429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.608429 (E_RNA)
where:
Base-Base interactions energy: -287.722
where: short stacking energy: -124.665
Base-Backbone interact. energy: -0.391
local terms energy: -156.496344
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -36.589
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -35.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -241.121110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.121110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.121110 (E_RNA)
where:
Base-Base interactions energy: -121.719
where: short stacking energy: -80.127
Base-Backbone interact. energy: -0.144
local terms energy: -119.257925
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -28.340
flat angles P-C4'-P energy: -18.696
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -208.808425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.808425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.808425 (E_RNA)
where:
Base-Base interactions energy: -93.678
where: short stacking energy: -70.352
Base-Backbone interact. energy: -0.659
local terms energy: -114.471375
where:
bonds (distance) C4'-P energy: -33.445
bonds (distance) P-C4' energy: -27.460
flat angles C4'-P-C4' energy: -24.179
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -149.335864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.335864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.335864 (E_RNA)
where:
Base-Base interactions energy: -49.651
where: short stacking energy: -37.548
Base-Backbone interact. energy: -1.932
local terms energy: -100.297692
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -31.675
flat angles C4'-P-C4' energy: -25.670
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: 2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.544 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -578.448146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.448146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.448146 (E_RNA)
where:
Base-Base interactions energy: -400.046
where: short stacking energy: -168.485
Base-Backbone interact. energy: -0.941
local terms energy: -177.461259
where:
bonds (distance) C4'-P energy: -32.842
bonds (distance) P-C4' energy: -31.062
flat angles C4'-P-C4' energy: -39.338
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: -45.786
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: 391
Temperature: 0.950000
Total energy: -566.527119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.527119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.527119 (E_RNA)
where:
Base-Base interactions energy: -391.278
where: short stacking energy: -175.734
Base-Backbone interact. energy: -0.946
local terms energy: -174.303319
where:
bonds (distance) C4'-P energy: -34.527
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -15.354
tors. eta vs tors. theta energy: -52.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -552.117833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.117833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.117833 (E_RNA)
where:
Base-Base interactions energy: -375.196
where: short stacking energy: -158.324
Base-Backbone interact. energy: -0.560
local terms energy: -177.230658
where:
bonds (distance) C4'-P energy: -35.821
bonds (distance) P-C4' energy: -32.013
flat angles C4'-P-C4' energy: -33.193
flat angles P-C4'-P energy: -26.368
tors. eta vs tors. theta energy: -49.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.869 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -511.655646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.655646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.655646 (E_RNA)
where:
Base-Base interactions energy: -356.682
where: short stacking energy: -153.244
Base-Backbone interact. energy: -0.204
local terms energy: -155.616978
where:
bonds (distance) C4'-P energy: -24.443
bonds (distance) P-C4' energy: -34.385
flat angles C4'-P-C4' energy: -32.655
flat angles P-C4'-P energy: -18.266
tors. eta vs tors. theta energy: -45.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.848 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -456.823251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.823251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.823251 (E_RNA)
where:
Base-Base interactions energy: -301.796
where: short stacking energy: -129.695
Base-Backbone interact. energy: -0.136
local terms energy: -154.890801
where:
bonds (distance) C4'-P energy: -36.685
bonds (distance) P-C4' energy: -34.673
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -31.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -486.941825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.941825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.941825 (E_RNA)
where:
Base-Base interactions energy: -328.535
where: short stacking energy: -143.500
Base-Backbone interact. energy: -0.313
local terms energy: -158.093684
where:
bonds (distance) C4'-P energy: -33.107
bonds (distance) P-C4' energy: -33.696
flat angles C4'-P-C4' energy: -35.270
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -36.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -401.865802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.865802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.865802 (E_RNA)
where:
Base-Base interactions energy: -269.936
where: short stacking energy: -103.326
Base-Backbone interact. energy: -0.424
local terms energy: -131.506201
where:
bonds (distance) C4'-P energy: -23.762
bonds (distance) P-C4' energy: -34.562
flat angles C4'-P-C4' energy: -29.297
flat angles P-C4'-P energy: -19.361
tors. eta vs tors. theta energy: -24.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -186.035403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.035403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.035403 (E_RNA)
where:
Base-Base interactions energy: -88.899
where: short stacking energy: -52.951
Base-Backbone interact. energy: 0.448
local terms energy: -97.584281
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -18.178
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -167.258562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.258562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.258562 (E_RNA)
where:
Base-Base interactions energy: -63.303
where: short stacking energy: -41.980
Base-Backbone interact. energy: -0.322
local terms energy: -104.355996
where:
bonds (distance) C4'-P energy: -32.362
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -31.064
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: 6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.722 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -156.352870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.352870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.352870 (E_RNA)
where:
Base-Base interactions energy: -61.279
where: short stacking energy: -55.908
Base-Backbone interact. energy: -0.283
local terms energy: -94.791049
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -28.102
flat angles C4'-P-C4' energy: -25.196
flat angles P-C4'-P energy: -18.157
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -570.038738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.038738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.038738 (E_RNA)
where:
Base-Base interactions energy: -389.063
where: short stacking energy: -157.144
Base-Backbone interact. energy: -1.063
local terms energy: -179.912937
where:
bonds (distance) C4'-P energy: -34.917
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -25.298
tors. eta vs tors. theta energy: -48.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -581.408897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.408897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.408897 (E_RNA)
where:
Base-Base interactions energy: -384.967
where: short stacking energy: -171.523
Base-Backbone interact. energy: -0.125
local terms energy: -196.512991
where:
bonds (distance) C4'-P energy: -33.630
bonds (distance) P-C4' energy: -35.472
flat angles C4'-P-C4' energy: -38.454
flat angles P-C4'-P energy: -29.006
tors. eta vs tors. theta energy: -59.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.196 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -537.523434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.523434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.523434 (E_RNA)
where:
Base-Base interactions energy: -377.817
where: short stacking energy: -155.371
Base-Backbone interact. energy: -0.030
local terms energy: -160.021887
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -34.848
flat angles C4'-P-C4' energy: -33.132
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -47.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.345 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -543.598045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.598045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.598045 (E_RNA)
where:
Base-Base interactions energy: -378.353
where: short stacking energy: -159.549
Base-Backbone interact. energy: -0.125
local terms energy: -165.396429
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -31.466
flat angles C4'-P-C4' energy: -33.293
flat angles P-C4'-P energy: -23.080
tors. eta vs tors. theta energy: -48.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.277 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -484.107889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.107889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.107889 (E_RNA)
where:
Base-Base interactions energy: -313.470
where: short stacking energy: -139.851
Base-Backbone interact. energy: -0.591
local terms energy: -170.047172
where:
bonds (distance) C4'-P energy: -32.127
bonds (distance) P-C4' energy: -36.772
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -26.971
tors. eta vs tors. theta energy: -42.445
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: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -441.258196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.258196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.258196 (E_RNA)
where:
Base-Base interactions energy: -283.601
where: short stacking energy: -126.199
Base-Backbone interact. energy: -0.225
local terms energy: -157.432397
where:
bonds (distance) C4'-P energy: -30.142
bonds (distance) P-C4' energy: -31.279
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -23.525
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: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -391.276406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.276406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.276406 (E_RNA)
where:
Base-Base interactions energy: -252.049
where: short stacking energy: -98.229
Base-Backbone interact. energy: -2.286
local terms energy: -136.940541
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -34.335
flat angles C4'-P-C4' energy: -29.490
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -204.224678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.224678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.224678 (E_RNA)
where:
Base-Base interactions energy: -89.435
where: short stacking energy: -40.758
Base-Backbone interact. energy: -0.581
local terms energy: -114.208447
where:
bonds (distance) C4'-P energy: -35.594
bonds (distance) P-C4' energy: -31.656
flat angles C4'-P-C4' energy: -28.958
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -3.951
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: 392
Temperature: 1.300000
Total energy: -154.467995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.467995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.467995 (E_RNA)
where:
Base-Base interactions energy: -45.774
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.443
local terms energy: -108.251237
where:
bonds (distance) C4'-P energy: -30.817
bonds (distance) P-C4' energy: -33.014
flat angles C4'-P-C4' energy: -27.926
flat angles P-C4'-P energy: -16.500
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: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -142.753520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.753520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.753520 (E_RNA)
where:
Base-Base interactions energy: -56.892
where: short stacking energy: -51.220
Base-Backbone interact. energy: -0.086
local terms energy: -85.774740
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -28.396
flat angles C4'-P-C4' energy: -28.039
flat angles P-C4'-P energy: -3.093
tors. eta vs tors. theta energy: -1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -564.877393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.877393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.877393 (E_RNA)
where:
Base-Base interactions energy: -400.359
where: short stacking energy: -159.735
Base-Backbone interact. energy: 2.020
local terms energy: -166.583027
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -33.423
flat angles C4'-P-C4' energy: -35.004
flat angles P-C4'-P energy: -27.924
tors. eta vs tors. theta energy: -43.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.045 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -574.930154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.930154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.930154 (E_RNA)
where:
Base-Base interactions energy: -393.717
where: short stacking energy: -170.065
Base-Backbone interact. energy: -0.015
local terms energy: -181.717878
where:
bonds (distance) C4'-P energy: -27.671
bonds (distance) P-C4' energy: -34.807
flat angles C4'-P-C4' energy: -35.617
flat angles P-C4'-P energy: -26.682
tors. eta vs tors. theta energy: -56.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.520 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -534.764821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.764821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.764821 (E_RNA)
where:
Base-Base interactions energy: -371.602
where: short stacking energy: -147.636
Base-Backbone interact. energy: -0.371
local terms energy: -162.792237
where:
bonds (distance) C4'-P energy: -30.777
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -39.608
flat angles P-C4'-P energy: -25.704
tors. eta vs tors. theta energy: -40.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -548.407264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.407264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.407264 (E_RNA)
where:
Base-Base interactions energy: -372.207
where: short stacking energy: -170.123
Base-Backbone interact. energy: -0.275
local terms energy: -175.924691
where:
bonds (distance) C4'-P energy: -33.086
bonds (distance) P-C4' energy: -26.608
flat angles C4'-P-C4' energy: -35.653
flat angles P-C4'-P energy: -22.261
tors. eta vs tors. theta energy: -58.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -475.023542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.023542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.023542 (E_RNA)
where:
Base-Base interactions energy: -327.288
where: short stacking energy: -143.600
Base-Backbone interact. energy: 0.019
local terms energy: -147.754169
where:
bonds (distance) C4'-P energy: -29.851
bonds (distance) P-C4' energy: -31.965
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: -33.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -441.427017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.427017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.427017 (E_RNA)
where:
Base-Base interactions energy: -300.072
where: short stacking energy: -129.017
Base-Backbone interact. energy: 0.284
local terms energy: -141.638905
where:
bonds (distance) C4'-P energy: -23.505
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -34.383
flat angles P-C4'-P energy: -26.698
tors. eta vs tors. theta energy: -33.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -382.192746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.192746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.192746 (E_RNA)
where:
Base-Base interactions energy: -249.492
where: short stacking energy: -106.826
Base-Backbone interact. energy: -1.485
local terms energy: -131.215453
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -27.121
flat angles C4'-P-C4' energy: -33.206
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -21.011
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: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -176.276653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.276653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.276653 (E_RNA)
where:
Base-Base interactions energy: -76.724
where: short stacking energy: -59.483
Base-Backbone interact. energy: -0.696
local terms energy: -98.856147
where:
bonds (distance) C4'-P energy: -34.976
bonds (distance) P-C4' energy: -30.720
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: 0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -166.876079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.876079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.876079 (E_RNA)
where:
Base-Base interactions energy: -77.929
where: short stacking energy: -50.290
Base-Backbone interact. energy: 0.001
local terms energy: -88.948423
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -34.416
flat angles C4'-P-C4' energy: -19.241
flat angles P-C4'-P energy: -6.195
tors. eta vs tors. theta energy: -0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -146.721817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.721817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.721817 (E_RNA)
where:
Base-Base interactions energy: -49.345
where: short stacking energy: -41.205
Base-Backbone interact. energy: -0.814
local terms energy: -96.562117
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -34.232
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: 0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -588.995775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.995775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.995775 (E_RNA)
where:
Base-Base interactions energy: -411.988
where: short stacking energy: -159.229
Base-Backbone interact. energy: -0.552
local terms energy: -176.455321
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -35.915
flat angles C4'-P-C4' energy: -38.201
flat angles P-C4'-P energy: -22.586
tors. eta vs tors. theta energy: -45.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -580.477388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.477388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.477388 (E_RNA)
where:
Base-Base interactions energy: -401.815
where: short stacking energy: -167.920
Base-Backbone interact. energy: -0.692
local terms energy: -177.970585
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -40.092
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -53.424
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: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -540.177638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.177638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.177638 (E_RNA)
where:
Base-Base interactions energy: -364.982
where: short stacking energy: -150.636
Base-Backbone interact. energy: -0.781
local terms energy: -174.414170
where:
bonds (distance) C4'-P energy: -33.991
bonds (distance) P-C4' energy: -37.594
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -24.946
tors. eta vs tors. theta energy: -46.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -514.233667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.233667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.233667 (E_RNA)
where:
Base-Base interactions energy: -354.619
where: short stacking energy: -138.755
Base-Backbone interact. energy: -0.246
local terms energy: -159.368749
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -39.374
flat angles P-C4'-P energy: -28.918
tors. eta vs tors. theta energy: -43.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -477.141618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.141618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.141618 (E_RNA)
where:
Base-Base interactions energy: -330.183
where: short stacking energy: -140.648
Base-Backbone interact. energy: 0.187
local terms energy: -147.145323
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -39.874
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -30.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -432.160090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.160090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.160090 (E_RNA)
where:
Base-Base interactions energy: -292.288
where: short stacking energy: -126.940
Base-Backbone interact. energy: 3.393
local terms energy: -144.182806
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -34.238
flat angles C4'-P-C4' energy: -23.937
flat angles P-C4'-P energy: -22.041
tors. eta vs tors. theta energy: -36.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.918 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -415.729018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.729018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.729018 (E_RNA)
where:
Base-Base interactions energy: -287.337
where: short stacking energy: -125.835
Base-Backbone interact. energy: -0.671
local terms energy: -127.720560
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -28.160
flat angles C4'-P-C4' energy: -36.066
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -27.153
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: 394
Temperature: 1.250000
Total energy: -178.218811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.218811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.218811 (E_RNA)
where:
Base-Base interactions energy: -75.566
where: short stacking energy: -49.193
Base-Backbone interact. energy: -0.385
local terms energy: -102.268195
where:
bonds (distance) C4'-P energy: -34.864
bonds (distance) P-C4' energy: -29.306
flat angles C4'-P-C4' energy: -24.729
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -149.629474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.629474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.629474 (E_RNA)
where:
Base-Base interactions energy: -59.291
where: short stacking energy: -44.460
Base-Backbone interact. energy: -1.102
local terms energy: -89.236190
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -27.745
flat angles C4'-P-C4' energy: -25.603
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: 2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -183.613351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.613351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.613351 (E_RNA)
where:
Base-Base interactions energy: -78.705
where: short stacking energy: -48.075
Base-Backbone interact. energy: -1.425
local terms energy: -103.483890
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -573.611275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.611275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.611275 (E_RNA)
where:
Base-Base interactions energy: -396.315
where: short stacking energy: -157.732
Base-Backbone interact. energy: -0.715
local terms energy: -176.802191
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -39.942
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -46.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.222 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -578.155952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.155952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.155952 (E_RNA)
where:
Base-Base interactions energy: -389.555
where: short stacking energy: -175.701
Base-Backbone interact. energy: -0.528
local terms energy: -188.736895
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -34.086
flat angles C4'-P-C4' energy: -38.005
flat angles P-C4'-P energy: -26.133
tors. eta vs tors. theta energy: -58.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.664 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -535.186967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.186967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.186967 (E_RNA)
where:
Base-Base interactions energy: -372.512
where: short stacking energy: -155.246
Base-Backbone interact. energy: 0.146
local terms energy: -162.964426
where:
bonds (distance) C4'-P energy: -29.526
bonds (distance) P-C4' energy: -35.624
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -46.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.143 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -513.885912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.885912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.885912 (E_RNA)
where:
Base-Base interactions energy: -345.177
where: short stacking energy: -148.537
Base-Backbone interact. energy: -0.248
local terms energy: -168.461198
where:
bonds (distance) C4'-P energy: -28.538
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -38.415
flat angles P-C4'-P energy: -18.911
tors. eta vs tors. theta energy: -50.661
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: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -483.834830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.834830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.834830 (E_RNA)
where:
Base-Base interactions energy: -336.616
where: short stacking energy: -136.179
Base-Backbone interact. energy: -0.308
local terms energy: -146.910644
where:
bonds (distance) C4'-P energy: -29.559
bonds (distance) P-C4' energy: -28.664
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -21.840
tors. eta vs tors. theta energy: -34.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -452.349666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.349666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.349666 (E_RNA)
where:
Base-Base interactions energy: -293.526
where: short stacking energy: -128.542
Base-Backbone interact. energy: -1.305
local terms energy: -157.518382
where:
bonds (distance) C4'-P energy: -30.431
bonds (distance) P-C4' energy: -33.311
flat angles C4'-P-C4' energy: -37.323
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -36.037
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: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -373.839901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.839901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.839901 (E_RNA)
where:
Base-Base interactions energy: -238.793
where: short stacking energy: -104.423
Base-Backbone interact. energy: -0.601
local terms energy: -134.445960
where:
bonds (distance) C4'-P energy: -26.854
bonds (distance) P-C4' energy: -31.181
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -26.454
tors. eta vs tors. theta energy: -21.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -177.719683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.719683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.719683 (E_RNA)
where:
Base-Base interactions energy: -61.534
where: short stacking energy: -54.814
Base-Backbone interact. energy: -0.373
local terms energy: -115.812594
where:
bonds (distance) C4'-P energy: -30.396
bonds (distance) P-C4' energy: -35.480
flat angles C4'-P-C4' energy: -26.669
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -160.005726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.005726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.005726 (E_RNA)
where:
Base-Base interactions energy: -53.147
where: short stacking energy: -48.232
Base-Backbone interact. energy: -0.207
local terms energy: -106.651653
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -25.134
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: 6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -165.096654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.096654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.096654 (E_RNA)
where:
Base-Base interactions energy: -68.335
where: short stacking energy: -37.548
Base-Backbone interact. energy: -0.679
local terms energy: -96.082096
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -29.965
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: 5.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -583.592880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.592880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.592880 (E_RNA)
where:
Base-Base interactions energy: -399.560
where: short stacking energy: -176.002
Base-Backbone interact. energy: -0.050
local terms energy: -183.983100
where:
bonds (distance) C4'-P energy: -29.493
bonds (distance) P-C4' energy: -33.570
flat angles C4'-P-C4' energy: -40.678
flat angles P-C4'-P energy: -25.930
tors. eta vs tors. theta energy: -54.313
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: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -555.349447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.349447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.349447 (E_RNA)
where:
Base-Base interactions energy: -385.295
where: short stacking energy: -146.003
Base-Backbone interact. energy: -1.844
local terms energy: -168.210155
where:
bonds (distance) C4'-P energy: -30.309
bonds (distance) P-C4' energy: -38.570
flat angles C4'-P-C4' energy: -31.967
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: -45.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -530.688786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.688786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.688786 (E_RNA)
where:
Base-Base interactions energy: -362.030
where: short stacking energy: -146.429
Base-Backbone interact. energy: -0.219
local terms energy: -168.439727
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -38.191
flat angles C4'-P-C4' energy: -37.087
flat angles P-C4'-P energy: -22.401
tors. eta vs tors. theta energy: -40.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -526.218572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.218572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.218572 (E_RNA)
where:
Base-Base interactions energy: -360.488
where: short stacking energy: -156.928
Base-Backbone interact. energy: -0.416
local terms energy: -168.240066
where:
bonds (distance) C4'-P energy: -27.957
bonds (distance) P-C4' energy: -27.058
flat angles C4'-P-C4' energy: -37.297
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -53.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.926 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -504.035552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.035552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.035552 (E_RNA)
where:
Base-Base interactions energy: -356.399
where: short stacking energy: -144.632
Base-Backbone interact. energy: -0.671
local terms energy: -147.860988
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -25.527
flat angles P-C4'-P energy: -28.597
tors. eta vs tors. theta energy: -36.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.895 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -432.013784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.013784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.013784 (E_RNA)
where:
Base-Base interactions energy: -289.045
where: short stacking energy: -134.037
Base-Backbone interact. energy: -0.211
local terms energy: -142.757947
where:
bonds (distance) C4'-P energy: -30.206
bonds (distance) P-C4' energy: -30.697
flat angles C4'-P-C4' energy: -36.289
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -34.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -386.815807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.815807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.815807 (E_RNA)
where:
Base-Base interactions energy: -249.083
where: short stacking energy: -111.785
Base-Backbone interact. energy: -0.572
local terms energy: -137.160819
where:
bonds (distance) C4'-P energy: -27.867
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -18.408
tors. eta vs tors. theta energy: -23.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -182.361826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.361826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.361826 (E_RNA)
where:
Base-Base interactions energy: -63.661
where: short stacking energy: -57.254
Base-Backbone interact. energy: -0.521
local terms energy: -118.187966
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -38.056
flat angles C4'-P-C4' energy: -32.362
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -176.476978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.476978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.476978 (E_RNA)
where:
Base-Base interactions energy: -68.241
where: short stacking energy: -60.449
Base-Backbone interact. energy: 0.682
local terms energy: -108.918091
where:
bonds (distance) C4'-P energy: -29.700
bonds (distance) P-C4' energy: -30.763
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -139.724862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.724862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.724862 (E_RNA)
where:
Base-Base interactions energy: -46.654
where: short stacking energy: -40.583
Base-Backbone interact. energy: -0.210
local terms energy: -92.861196
where:
bonds (distance) C4'-P energy: -29.839
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -23.480
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: 4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -597.253533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.253533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.253533 (E_RNA)
where:
Base-Base interactions energy: -391.820
where: short stacking energy: -181.363
Base-Backbone interact. energy: -0.014
local terms energy: -205.418896
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -35.974
flat angles C4'-P-C4' energy: -40.886
flat angles P-C4'-P energy: -32.327
tors. eta vs tors. theta energy: -60.457
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: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -542.250612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.250612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.250612 (E_RNA)
where:
Base-Base interactions energy: -366.445
where: short stacking energy: -142.490
Base-Backbone interact. energy: -0.640
local terms energy: -175.313150
where:
bonds (distance) C4'-P energy: -37.148
bonds (distance) P-C4' energy: -36.654
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -22.610
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: 0.147 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -554.055146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.055146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.055146 (E_RNA)
where:
Base-Base interactions energy: -382.747
where: short stacking energy: -161.420
Base-Backbone interact. energy: -0.741
local terms energy: -170.566681
where:
bonds (distance) C4'-P energy: -34.507
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -37.142
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: -49.332
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: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -513.906768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.906768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.906768 (E_RNA)
where:
Base-Base interactions energy: -351.453
where: short stacking energy: -129.597
Base-Backbone interact. energy: -0.838
local terms energy: -161.615838
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -35.293
flat angles C4'-P-C4' energy: -31.262
flat angles P-C4'-P energy: -26.170
tors. eta vs tors. theta energy: -45.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -507.675305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.675305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.675305 (E_RNA)
where:
Base-Base interactions energy: -361.509
where: short stacking energy: -138.927
Base-Backbone interact. energy: -1.099
local terms energy: -145.156330
where:
bonds (distance) C4'-P energy: -25.691
bonds (distance) P-C4' energy: -27.207
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -41.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.088 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -445.365114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.365114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.365114 (E_RNA)
where:
Base-Base interactions energy: -282.735
where: short stacking energy: -127.959
Base-Backbone interact. energy: -0.720
local terms energy: -161.910421
where:
bonds (distance) C4'-P energy: -34.820
bonds (distance) P-C4' energy: -34.376
flat angles C4'-P-C4' energy: -34.864
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: -37.537
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: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -416.731850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.731850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.731850 (E_RNA)
where:
Base-Base interactions energy: -277.791
where: short stacking energy: -121.792
Base-Backbone interact. energy: -0.272
local terms energy: -138.669174
where:
bonds (distance) C4'-P energy: -31.617
bonds (distance) P-C4' energy: -30.588
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -29.743
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: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -177.841007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.841007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.841007 (E_RNA)
where:
Base-Base interactions energy: -68.975
where: short stacking energy: -53.817
Base-Backbone interact. energy: 1.529
local terms energy: -110.394878
where:
bonds (distance) C4'-P energy: -32.882
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: 0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -163.612771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.612771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.612771 (E_RNA)
where:
Base-Base interactions energy: -67.982
where: short stacking energy: -59.574
Base-Backbone interact. energy: 1.313
local terms energy: -96.944077
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -28.911
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -148.244227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.244227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.244227 (E_RNA)
where:
Base-Base interactions energy: -53.984
where: short stacking energy: -32.141
Base-Backbone interact. energy: 0.878
local terms energy: -95.139043
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -28.044
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -21.643
tors. eta vs tors. theta energy: 3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -589.126961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.126961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.126961 (E_RNA)
where:
Base-Base interactions energy: -398.412
where: short stacking energy: -178.302
Base-Backbone interact. energy: -1.664
local terms energy: -190.066068
where:
bonds (distance) C4'-P energy: -32.270
bonds (distance) P-C4' energy: -32.242
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -32.703
tors. eta vs tors. theta energy: -55.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.015 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -543.207537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.207537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.207537 (E_RNA)
where:
Base-Base interactions energy: -375.040
where: short stacking energy: -155.761
Base-Backbone interact. energy: -0.140
local terms energy: -168.027267
where:
bonds (distance) C4'-P energy: -28.022
bonds (distance) P-C4' energy: -32.036
flat angles C4'-P-C4' energy: -39.697
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: -45.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -551.131172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.131172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.131172 (E_RNA)
where:
Base-Base interactions energy: -373.515
where: short stacking energy: -161.233
Base-Backbone interact. energy: -1.413
local terms energy: -176.202271
where:
bonds (distance) C4'-P energy: -34.814
bonds (distance) P-C4' energy: -35.591
flat angles C4'-P-C4' energy: -35.090
flat angles P-C4'-P energy: -22.747
tors. eta vs tors. theta energy: -47.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -514.534813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.534813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.534813 (E_RNA)
where:
Base-Base interactions energy: -357.880
where: short stacking energy: -133.643
Base-Backbone interact. energy: 2.511
local terms energy: -159.485831
where:
bonds (distance) C4'-P energy: -39.177
bonds (distance) P-C4' energy: -32.623
flat angles C4'-P-C4' energy: -35.358
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -35.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.320 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -482.989041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.989041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.989041 (E_RNA)
where:
Base-Base interactions energy: -333.855
where: short stacking energy: -131.366
Base-Backbone interact. energy: -0.136
local terms energy: -148.997837
where:
bonds (distance) C4'-P energy: -20.421
bonds (distance) P-C4' energy: -33.361
flat angles C4'-P-C4' energy: -32.884
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -40.448
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: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -439.154281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.154281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.154281 (E_RNA)
where:
Base-Base interactions energy: -300.359
where: short stacking energy: -116.920
Base-Backbone interact. energy: 1.050
local terms energy: -139.846053
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -32.615
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: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -404.793030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.793030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.793030 (E_RNA)
where:
Base-Base interactions energy: -263.868
where: short stacking energy: -119.714
Base-Backbone interact. energy: -0.628
local terms energy: -140.297338
where:
bonds (distance) C4'-P energy: -29.754
bonds (distance) P-C4' energy: -31.826
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -16.681
tors. eta vs tors. theta energy: -32.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -155.991897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.991897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.991897 (E_RNA)
where:
Base-Base interactions energy: -53.270
where: short stacking energy: -50.927
Base-Backbone interact. energy: -0.230
local terms energy: -102.491599
where:
bonds (distance) C4'-P energy: -25.826
bonds (distance) P-C4' energy: -34.226
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: 1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -161.479317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.479317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.479317 (E_RNA)
where:
Base-Base interactions energy: -49.049
where: short stacking energy: -28.758
Base-Backbone interact. energy: -1.155
local terms energy: -111.275083
where:
bonds (distance) C4'-P energy: -27.794
bonds (distance) P-C4' energy: -35.813
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: 2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -148.903514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.903514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.903514 (E_RNA)
where:
Base-Base interactions energy: -56.041
where: short stacking energy: -54.426
Base-Backbone interact. energy: -0.421
local terms energy: -92.441236
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -24.646
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -580.820000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.820000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.820000 (E_RNA)
where:
Base-Base interactions energy: -385.444
where: short stacking energy: -169.292
Base-Backbone interact. energy: -0.008
local terms energy: -195.955321
where:
bonds (distance) C4'-P energy: -37.969
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -38.739
flat angles P-C4'-P energy: -28.010
tors. eta vs tors. theta energy: -56.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.587 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -549.654024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.654024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.654024 (E_RNA)
where:
Base-Base interactions energy: -373.122
where: short stacking energy: -158.317
Base-Backbone interact. energy: 0.845
local terms energy: -177.377076
where:
bonds (distance) C4'-P energy: -37.173
bonds (distance) P-C4' energy: -33.681
flat angles C4'-P-C4' energy: -35.407
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -47.522
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: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -548.608483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.608483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.608483 (E_RNA)
where:
Base-Base interactions energy: -377.171
where: short stacking energy: -154.276
Base-Backbone interact. energy: -0.248
local terms energy: -171.189593
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -33.185
flat angles C4'-P-C4' energy: -37.160
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: -46.263
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: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -529.694800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.694800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.694800 (E_RNA)
where:
Base-Base interactions energy: -359.905
where: short stacking energy: -149.452
Base-Backbone interact. energy: -0.024
local terms energy: -169.765786
where:
bonds (distance) C4'-P energy: -31.038
bonds (distance) P-C4' energy: -32.914
flat angles C4'-P-C4' energy: -35.743
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -47.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -491.729436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.729436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.729436 (E_RNA)
where:
Base-Base interactions energy: -331.692
where: short stacking energy: -134.129
Base-Backbone interact. energy: -1.166
local terms energy: -158.871986
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -35.954
flat angles C4'-P-C4' energy: -28.064
flat angles P-C4'-P energy: -25.045
tors. eta vs tors. theta energy: -38.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -431.219930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.219930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.219930 (E_RNA)
where:
Base-Base interactions energy: -309.459
where: short stacking energy: -116.211
Base-Backbone interact. energy: 0.945
local terms energy: -123.969735
where:
bonds (distance) C4'-P energy: -25.337
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -31.559
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -20.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.264 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -392.304220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.304220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.304220 (E_RNA)
where:
Base-Base interactions energy: -259.025
where: short stacking energy: -112.650
Base-Backbone interact. energy: -0.585
local terms energy: -132.694431
where:
bonds (distance) C4'-P energy: -32.653
bonds (distance) P-C4' energy: -31.777
flat angles C4'-P-C4' energy: -29.029
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -26.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -178.269771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.269771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.269771 (E_RNA)
where:
Base-Base interactions energy: -83.137
where: short stacking energy: -54.945
Base-Backbone interact. energy: -0.506
local terms energy: -94.627076
where:
bonds (distance) C4'-P energy: -25.084
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -31.412
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -158.051340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.051340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.051340 (E_RNA)
where:
Base-Base interactions energy: -72.203
where: short stacking energy: -58.895
Base-Backbone interact. energy: 1.607
local terms energy: -87.455387
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -2.932
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: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -157.836183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.836183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.836183 (E_RNA)
where:
Base-Base interactions energy: -62.646
where: short stacking energy: -45.968
Base-Backbone interact. energy: -1.310
local terms energy: -93.880762
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -22.752
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -554.733119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.733119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.733119 (E_RNA)
where:
Base-Base interactions energy: -374.876
where: short stacking energy: -152.618
Base-Backbone interact. energy: -0.499
local terms energy: -179.358102
where:
bonds (distance) C4'-P energy: -32.947
bonds (distance) P-C4' energy: -34.031
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -29.360
tors. eta vs tors. theta energy: -45.163
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: 2, replica: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -571.897354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.897354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.897354 (E_RNA)
where:
Base-Base interactions energy: -382.762
where: short stacking energy: -162.407
Base-Backbone interact. energy: 0.548
local terms energy: -189.683292
where:
bonds (distance) C4'-P energy: -32.445
bonds (distance) P-C4' energy: -38.004
flat angles C4'-P-C4' energy: -33.877
flat angles P-C4'-P energy: -29.235
tors. eta vs tors. theta energy: -56.121
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: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -540.558860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.558860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.558860 (E_RNA)
where:
Base-Base interactions energy: -374.548
where: short stacking energy: -148.640
Base-Backbone interact. energy: 0.256
local terms energy: -167.007084
where:
bonds (distance) C4'-P energy: -34.457
bonds (distance) P-C4' energy: -33.912
flat angles C4'-P-C4' energy: -30.298
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -38.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.740 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -513.175663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.175663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.175663 (E_RNA)
where:
Base-Base interactions energy: -345.326
where: short stacking energy: -152.387
Base-Backbone interact. energy: -0.664
local terms energy: -167.883311
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -31.510
flat angles C4'-P-C4' energy: -35.903
flat angles P-C4'-P energy: -22.901
tors. eta vs tors. theta energy: -43.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.697 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -502.217118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.217118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.217118 (E_RNA)
where:
Base-Base interactions energy: -343.098
where: short stacking energy: -150.433
Base-Backbone interact. energy: -0.329
local terms energy: -158.791011
where:
bonds (distance) C4'-P energy: -21.856
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -37.908
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -49.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -402.548586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.548586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.548586 (E_RNA)
where:
Base-Base interactions energy: -268.586
where: short stacking energy: -125.945
Base-Backbone interact. energy: 0.733
local terms energy: -134.695441
where:
bonds (distance) C4'-P energy: -31.045
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -29.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -390.555732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.555732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.555732 (E_RNA)
where:
Base-Base interactions energy: -255.755
where: short stacking energy: -104.915
Base-Backbone interact. energy: -0.305
local terms energy: -134.495387
where:
bonds (distance) C4'-P energy: -27.605
bonds (distance) P-C4' energy: -33.260
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -27.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -175.647391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.647391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.647391 (E_RNA)
where:
Base-Base interactions energy: -61.412
where: short stacking energy: -61.412
Base-Backbone interact. energy: -0.414
local terms energy: -113.821001
where:
bonds (distance) C4'-P energy: -33.467
bonds (distance) P-C4' energy: -30.651
flat angles C4'-P-C4' energy: -28.793
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -224.012221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.012221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.012221 (E_RNA)
where:
Base-Base interactions energy: -97.353
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.951
local terms energy: -125.709050
where:
bonds (distance) C4'-P energy: -21.872
bonds (distance) P-C4' energy: -36.415
flat angles C4'-P-C4' energy: -30.206
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -22.018
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: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -148.715796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.715796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.715796 (E_RNA)
where:
Base-Base interactions energy: -61.312
where: short stacking energy: -45.013
Base-Backbone interact. energy: -0.967
local terms energy: -86.435989
where:
bonds (distance) C4'-P energy: -26.063
bonds (distance) P-C4' energy: -27.521
flat angles C4'-P-C4' energy: -28.911
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: 7.070
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: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -572.773921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.773921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.773921 (E_RNA)
where:
Base-Base interactions energy: -400.283
where: short stacking energy: -166.383
Base-Backbone interact. energy: -0.834
local terms energy: -171.657403
where:
bonds (distance) C4'-P energy: -29.689
bonds (distance) P-C4' energy: -29.209
flat angles C4'-P-C4' energy: -41.080
flat angles P-C4'-P energy: -22.403
tors. eta vs tors. theta energy: -49.277
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: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -543.905453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.905453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.905453 (E_RNA)
where:
Base-Base interactions energy: -369.173
where: short stacking energy: -147.568
Base-Backbone interact. energy: -0.872
local terms energy: -174.655506
where:
bonds (distance) C4'-P energy: -36.034
bonds (distance) P-C4' energy: -36.409
flat angles C4'-P-C4' energy: -38.868
flat angles P-C4'-P energy: -18.047
tors. eta vs tors. theta energy: -45.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.796 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -574.797192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.797192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.797192 (E_RNA)
where:
Base-Base interactions energy: -393.135
where: short stacking energy: -178.121
Base-Backbone interact. energy: -1.108
local terms energy: -180.554062
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -31.646
flat angles C4'-P-C4' energy: -40.476
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -59.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -509.864337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.864337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.864337 (E_RNA)
where:
Base-Base interactions energy: -352.946
where: short stacking energy: -137.869
Base-Backbone interact. energy: 0.014
local terms energy: -156.932272
where:
bonds (distance) C4'-P energy: -33.684
bonds (distance) P-C4' energy: -28.530
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -45.617
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: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -490.599021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.599021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.599021 (E_RNA)
where:
Base-Base interactions energy: -315.875
where: short stacking energy: -139.183
Base-Backbone interact. energy: -0.020
local terms energy: -174.703988
where:
bonds (distance) C4'-P energy: -29.867
bonds (distance) P-C4' energy: -36.866
flat angles C4'-P-C4' energy: -32.462
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -49.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -413.131856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.131856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.131856 (E_RNA)
where:
Base-Base interactions energy: -267.964
where: short stacking energy: -120.744
Base-Backbone interact. energy: -0.260
local terms energy: -144.907767
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -30.070
flat angles C4'-P-C4' energy: -34.870
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -25.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -395.252915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.252915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.252915 (E_RNA)
where:
Base-Base interactions energy: -260.983
where: short stacking energy: -118.163
Base-Backbone interact. energy: -0.294
local terms energy: -133.975277
where:
bonds (distance) C4'-P energy: -31.798
bonds (distance) P-C4' energy: -25.032
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -24.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -196.495190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.495190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.495190 (E_RNA)
where:
Base-Base interactions energy: -86.565
where: short stacking energy: -74.358
Base-Backbone interact. energy: 0.416
local terms energy: -110.346031
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -28.724
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -19.063
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -163.238749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.238749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.238749 (E_RNA)
where:
Base-Base interactions energy: -53.872
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.443
local terms energy: -108.923676
where:
bonds (distance) C4'-P energy: -30.915
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -29.668
flat angles P-C4'-P energy: -16.263
tors. eta vs tors. theta energy: -4.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -156.314227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.314227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.314227 (E_RNA)
where:
Base-Base interactions energy: -55.129
where: short stacking energy: -33.482
Base-Backbone interact. energy: -1.174
local terms energy: -100.010680
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -31.313
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -26.233
tors. eta vs tors. theta energy: 5.693
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: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -562.876044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.876044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.876044 (E_RNA)
where:
Base-Base interactions energy: -388.395
where: short stacking energy: -171.564
Base-Backbone interact. energy: -0.452
local terms energy: -174.029372
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -34.515
flat angles C4'-P-C4' energy: -34.990
flat angles P-C4'-P energy: -28.437
tors. eta vs tors. theta energy: -48.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -554.784276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.784276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.784276 (E_RNA)
where:
Base-Base interactions energy: -379.726
where: short stacking energy: -146.416
Base-Backbone interact. energy: -0.791
local terms energy: -174.289481
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -36.144
flat angles C4'-P-C4' energy: -37.997
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -51.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.022 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -565.981709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.981709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.981709 (E_RNA)
where:
Base-Base interactions energy: -386.759
where: short stacking energy: -176.233
Base-Backbone interact. energy: -0.281
local terms energy: -178.941547
where:
bonds (distance) C4'-P energy: -37.687
bonds (distance) P-C4' energy: -25.824
flat angles C4'-P-C4' energy: -36.993
flat angles P-C4'-P energy: -22.599
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: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -520.293641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.293641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.293641 (E_RNA)
where:
Base-Base interactions energy: -352.099
where: short stacking energy: -141.689
Base-Backbone interact. energy: -0.864
local terms energy: -167.330850
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -37.638
flat angles C4'-P-C4' energy: -26.582
flat angles P-C4'-P energy: -27.367
tors. eta vs tors. theta energy: -43.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -516.660547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.660547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.660547 (E_RNA)
where:
Base-Base interactions energy: -336.524
where: short stacking energy: -152.652
Base-Backbone interact. energy: -0.539
local terms energy: -179.598388
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -37.465
flat angles C4'-P-C4' energy: -38.353
flat angles P-C4'-P energy: -29.432
tors. eta vs tors. theta energy: -50.996
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: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -412.316868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.316868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.316868 (E_RNA)
where:
Base-Base interactions energy: -261.922
where: short stacking energy: -112.954
Base-Backbone interact. energy: -1.687
local terms energy: -148.708131
where:
bonds (distance) C4'-P energy: -34.401
bonds (distance) P-C4' energy: -31.962
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -22.278
tors. eta vs tors. theta energy: -34.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -431.569395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.569395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.569395 (E_RNA)
where:
Base-Base interactions energy: -274.270
where: short stacking energy: -117.424
Base-Backbone interact. energy: -0.897
local terms energy: -156.402631
where:
bonds (distance) C4'-P energy: -26.570
bonds (distance) P-C4' energy: -30.807
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -24.659
tors. eta vs tors. theta energy: -33.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -163.636579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.636579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.636579 (E_RNA)
where:
Base-Base interactions energy: -54.138
where: short stacking energy: -43.343
Base-Backbone interact. energy: 0.110
local terms energy: -109.609042
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -33.752
flat angles C4'-P-C4' energy: -29.438
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -164.369151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.369151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.369151 (E_RNA)
where:
Base-Base interactions energy: -67.734
where: short stacking energy: -58.840
Base-Backbone interact. energy: -0.014
local terms energy: -96.621299
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -27.397
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -4.832
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: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -154.773218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.773218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.773218 (E_RNA)
where:
Base-Base interactions energy: -58.157
where: short stacking energy: -54.079
Base-Backbone interact. energy: -0.909
local terms energy: -95.707209
where:
bonds (distance) C4'-P energy: -26.282
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -23.277
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: 2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -562.947228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.947228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.947228 (E_RNA)
where:
Base-Base interactions energy: -398.978
where: short stacking energy: -162.344
Base-Backbone interact. energy: -0.331
local terms energy: -163.638294
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -34.115
flat angles C4'-P-C4' energy: -32.684
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -45.566
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: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -562.129263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.129263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.129263 (E_RNA)
where:
Base-Base interactions energy: -386.537
where: short stacking energy: -181.649
Base-Backbone interact. energy: -0.292
local terms energy: -176.360303
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -26.298
flat angles C4'-P-C4' energy: -39.994
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -60.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.061 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -519.301470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.301470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.301470 (E_RNA)
where:
Base-Base interactions energy: -357.065
where: short stacking energy: -149.338
Base-Backbone interact. energy: -0.866
local terms energy: -162.964479
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -36.596
flat angles C4'-P-C4' energy: -27.434
flat angles P-C4'-P energy: -21.801
tors. eta vs tors. theta energy: -47.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.594 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -535.862896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.862896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.862896 (E_RNA)
where:
Base-Base interactions energy: -358.618
where: short stacking energy: -147.741
Base-Backbone interact. energy: -0.339
local terms energy: -176.905958
where:
bonds (distance) C4'-P energy: -35.622
bonds (distance) P-C4' energy: -36.582
flat angles C4'-P-C4' energy: -39.739
flat angles P-C4'-P energy: -21.786
tors. eta vs tors. theta energy: -43.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -521.894442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.894442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.894442 (E_RNA)
where:
Base-Base interactions energy: -349.037
where: short stacking energy: -161.104
Base-Backbone interact. energy: -0.589
local terms energy: -172.268088
where:
bonds (distance) C4'-P energy: -28.320
bonds (distance) P-C4' energy: -34.607
flat angles C4'-P-C4' energy: -35.134
flat angles P-C4'-P energy: -21.839
tors. eta vs tors. theta energy: -52.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -426.702760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.702760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.702760 (E_RNA)
where:
Base-Base interactions energy: -294.042
where: short stacking energy: -122.416
Base-Backbone interact. energy: -0.374
local terms energy: -132.287215
where:
bonds (distance) C4'-P energy: -31.702
bonds (distance) P-C4' energy: -30.958
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -27.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -428.433099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.433099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.433099 (E_RNA)
where:
Base-Base interactions energy: -289.272
where: short stacking energy: -127.229
Base-Backbone interact. energy: -0.305
local terms energy: -140.137420
where:
bonds (distance) C4'-P energy: -29.267
bonds (distance) P-C4' energy: -27.287
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -19.699
tors. eta vs tors. theta energy: -29.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.282 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -166.600543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.600543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.600543 (E_RNA)
where:
Base-Base interactions energy: -71.350
where: short stacking energy: -55.257
Base-Backbone interact. energy: -0.837
local terms energy: -94.413194
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -24.879
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: 6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -172.284372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.284372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.284372 (E_RNA)
where:
Base-Base interactions energy: -62.240
where: short stacking energy: -52.018
Base-Backbone interact. energy: -0.429
local terms energy: -109.615525
where:
bonds (distance) C4'-P energy: -33.274
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -154.726582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.726582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.726582 (E_RNA)
where:
Base-Base interactions energy: -57.018
where: short stacking energy: -33.327
Base-Backbone interact. energy: -0.735
local terms energy: -96.973785
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -37.718
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -15.852
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -573.430763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.430763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.430763 (E_RNA)
where:
Base-Base interactions energy: -390.084
where: short stacking energy: -161.577
Base-Backbone interact. energy: -0.233
local terms energy: -183.113563
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -37.214
flat angles C4'-P-C4' energy: -41.006
flat angles P-C4'-P energy: -27.174
tors. eta vs tors. theta energy: -48.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -572.915283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.915283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.915283 (E_RNA)
where:
Base-Base interactions energy: -385.627
where: short stacking energy: -167.302
Base-Backbone interact. energy: -0.034
local terms energy: -187.254660
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -34.349
flat angles C4'-P-C4' energy: -35.595
flat angles P-C4'-P energy: -29.602
tors. eta vs tors. theta energy: -53.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -534.892996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.892996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.892996 (E_RNA)
where:
Base-Base interactions energy: -358.955
where: short stacking energy: -130.819
Base-Backbone interact. energy: 0.318
local terms energy: -176.255138
where:
bonds (distance) C4'-P energy: -39.437
bonds (distance) P-C4' energy: -38.868
flat angles C4'-P-C4' energy: -35.329
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -38.174
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: 404
Temperature: 1.050000
Total energy: -496.563535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.563535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.563535 (E_RNA)
where:
Base-Base interactions energy: -347.605
where: short stacking energy: -142.944
Base-Backbone interact. energy: -1.433
local terms energy: -147.525580
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -31.289
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -15.505
tors. eta vs tors. theta energy: -37.166
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: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -485.106144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.106144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.106144 (E_RNA)
where:
Base-Base interactions energy: -314.329
where: short stacking energy: -143.462
Base-Backbone interact. energy: -0.273
local terms energy: -170.504069
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -33.331
flat angles C4'-P-C4' energy: -36.494
flat angles P-C4'-P energy: -20.481
tors. eta vs tors. theta energy: -48.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -413.346833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.346833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.346833 (E_RNA)
where:
Base-Base interactions energy: -272.166
where: short stacking energy: -117.849
Base-Backbone interact. energy: -2.122
local terms energy: -139.059358
where:
bonds (distance) C4'-P energy: -29.426
bonds (distance) P-C4' energy: -32.652
flat angles C4'-P-C4' energy: -25.125
flat angles P-C4'-P energy: -21.371
tors. eta vs tors. theta energy: -30.486
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: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -392.891127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.891127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.891127 (E_RNA)
where:
Base-Base interactions energy: -275.605
where: short stacking energy: -114.774
Base-Backbone interact. energy: 0.278
local terms energy: -118.623396
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -28.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.059 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -178.960471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.960471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.960471 (E_RNA)
where:
Base-Base interactions energy: -82.342
where: short stacking energy: -55.501
Base-Backbone interact. energy: -0.361
local terms energy: -96.257199
where:
bonds (distance) C4'-P energy: -32.355
bonds (distance) P-C4' energy: -31.446
flat angles C4'-P-C4' energy: -8.222
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -9.218
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: 404
Temperature: 1.300000
Total energy: -142.368455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.368455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.368455 (E_RNA)
where:
Base-Base interactions energy: -50.026
where: short stacking energy: -37.659
Base-Backbone interact. energy: 0.098
local terms energy: -92.615777
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -35.894
flat angles C4'-P-C4' energy: -22.498
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: 3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.175 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -155.522436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.522436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.522436 (E_RNA)
where:
Base-Base interactions energy: -54.776
where: short stacking energy: -36.873
Base-Backbone interact. energy: -1.150
local terms energy: -99.596812
where:
bonds (distance) C4'-P energy: -23.696
bonds (distance) P-C4' energy: -31.891
flat angles C4'-P-C4' energy: -31.214
flat angles P-C4'-P energy: -19.933
tors. eta vs tors. theta energy: 7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -573.466357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.466357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.466357 (E_RNA)
where:
Base-Base interactions energy: -387.210
where: short stacking energy: -167.783
Base-Backbone interact. energy: 0.126
local terms energy: -186.382544
where:
bonds (distance) C4'-P energy: -35.620
bonds (distance) P-C4' energy: -38.057
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -50.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -561.981778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.981778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.981778 (E_RNA)
where:
Base-Base interactions energy: -384.545
where: short stacking energy: -170.478
Base-Backbone interact. energy: -0.079
local terms energy: -178.338429
where:
bonds (distance) C4'-P energy: -32.343
bonds (distance) P-C4' energy: -31.073
flat angles C4'-P-C4' energy: -32.994
flat angles P-C4'-P energy: -26.789
tors. eta vs tors. theta energy: -55.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.981 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -537.526640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.526640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.526640 (E_RNA)
where:
Base-Base interactions energy: -358.385
where: short stacking energy: -146.180
Base-Backbone interact. energy: -0.899
local terms energy: -178.242820
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -36.120
flat angles C4'-P-C4' energy: -40.105
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -46.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -524.926726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.926726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.926726 (E_RNA)
where:
Base-Base interactions energy: -355.618
where: short stacking energy: -148.864
Base-Backbone interact. energy: 0.442
local terms energy: -169.750408
where:
bonds (distance) C4'-P energy: -27.093
bonds (distance) P-C4' energy: -35.552
flat angles C4'-P-C4' energy: -33.635
flat angles P-C4'-P energy: -25.984
tors. eta vs tors. theta energy: -47.486
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: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -502.745418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.745418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.745418 (E_RNA)
where:
Base-Base interactions energy: -332.062
where: short stacking energy: -134.076
Base-Backbone interact. energy: -0.307
local terms energy: -170.377061
where:
bonds (distance) C4'-P energy: -28.389
bonds (distance) P-C4' energy: -37.715
flat angles C4'-P-C4' energy: -41.126
flat angles P-C4'-P energy: -24.663
tors. eta vs tors. theta energy: -38.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -435.778660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.778660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.778660 (E_RNA)
where:
Base-Base interactions energy: -276.307
where: short stacking energy: -116.512
Base-Backbone interact. energy: -0.827
local terms energy: -158.644443
where:
bonds (distance) C4'-P energy: -33.204
bonds (distance) P-C4' energy: -38.038
flat angles C4'-P-C4' energy: -36.362
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: -30.660
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: 405
Temperature: 1.200000
Total energy: -410.270861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.270861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.270861 (E_RNA)
where:
Base-Base interactions energy: -264.010
where: short stacking energy: -108.096
Base-Backbone interact. energy: -0.470
local terms energy: -146.173695
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -33.162
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -18.604
tors. eta vs tors. theta energy: -32.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.383 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -163.232381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.232381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.232381 (E_RNA)
where:
Base-Base interactions energy: -64.018
where: short stacking energy: -50.452
Base-Backbone interact. energy: -0.684
local terms energy: -100.252584
where:
bonds (distance) C4'-P energy: -28.103
bonds (distance) P-C4' energy: -38.248
flat angles C4'-P-C4' energy: -22.836
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: 4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.722 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -157.080205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.080205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.080205 (E_RNA)
where:
Base-Base interactions energy: -66.534
where: short stacking energy: -59.978
Base-Backbone interact. energy: -0.709
local terms energy: -89.837561
where:
bonds (distance) C4'-P energy: -30.663
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -27.274
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -2.456
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: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -175.793706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.793706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.793706 (E_RNA)
where:
Base-Base interactions energy: -71.997
where: short stacking energy: -48.502
Base-Backbone interact. energy: -0.467
local terms energy: -103.641440
where:
bonds (distance) C4'-P energy: -25.895
bonds (distance) P-C4' energy: -32.597
flat angles C4'-P-C4' energy: -28.741
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.311 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -586.589425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.589425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.589425 (E_RNA)
where:
Base-Base interactions energy: -401.402
where: short stacking energy: -166.193
Base-Backbone interact. energy: -0.105
local terms energy: -185.338307
where:
bonds (distance) C4'-P energy: -30.314
bonds (distance) P-C4' energy: -37.783
flat angles C4'-P-C4' energy: -39.231
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -55.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.256 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -566.957870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.957870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.957870 (E_RNA)
where:
Base-Base interactions energy: -391.145
where: short stacking energy: -160.909
Base-Backbone interact. energy: -0.772
local terms energy: -175.041143
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -36.379
flat angles P-C4'-P energy: -22.670
tors. eta vs tors. theta energy: -49.683
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: 406
Temperature: 1.000000
Total energy: -529.593422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.593422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.593422 (E_RNA)
where:
Base-Base interactions energy: -358.404
where: short stacking energy: -150.758
Base-Backbone interact. energy: -0.214
local terms energy: -170.975687
where:
bonds (distance) C4'-P energy: -35.456
bonds (distance) P-C4' energy: -35.034
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -22.425
tors. eta vs tors. theta energy: -44.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -519.612599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.612599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.612599 (E_RNA)
where:
Base-Base interactions energy: -357.381
where: short stacking energy: -148.923
Base-Backbone interact. energy: -0.628
local terms energy: -161.602887
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -39.671
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -50.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -524.842385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.842385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.842385 (E_RNA)
where:
Base-Base interactions energy: -359.734
where: short stacking energy: -149.215
Base-Backbone interact. energy: -0.266
local terms energy: -164.842038
where:
bonds (distance) C4'-P energy: -29.658
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -25.805
tors. eta vs tors. theta energy: -45.893
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: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -405.342903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.342903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.342903 (E_RNA)
where:
Base-Base interactions energy: -266.942
where: short stacking energy: -115.523
Base-Backbone interact. energy: -1.256
local terms energy: -137.404816
where:
bonds (distance) C4'-P energy: -28.419
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -19.489
tors. eta vs tors. theta energy: -28.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.259 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -421.055265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.055265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.055265 (E_RNA)
where:
Base-Base interactions energy: -278.350
where: short stacking energy: -119.715
Base-Backbone interact. energy: -0.018
local terms energy: -142.688117
where:
bonds (distance) C4'-P energy: -28.628
bonds (distance) P-C4' energy: -35.528
flat angles C4'-P-C4' energy: -27.392
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -29.243
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: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -171.346053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.346053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.346053 (E_RNA)
where:
Base-Base interactions energy: -64.004
where: short stacking energy: -54.038
Base-Backbone interact. energy: -0.261
local terms energy: -107.080877
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -30.035
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -17.555
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -156.808743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.808743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.808743 (E_RNA)
where:
Base-Base interactions energy: -58.552
where: short stacking energy: -32.938
Base-Backbone interact. energy: -0.248
local terms energy: -98.008734
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -20.099
tors. eta vs tors. theta energy: 6.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -150.024920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.024920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.024920 (E_RNA)
where:
Base-Base interactions energy: -54.257
where: short stacking energy: -45.462
Base-Backbone interact. energy: 0.249
local terms energy: -96.017133
where:
bonds (distance) C4'-P energy: -25.907
bonds (distance) P-C4' energy: -31.335
flat angles C4'-P-C4' energy: -31.197
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: 4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -573.937919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.937919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.937919 (E_RNA)
where:
Base-Base interactions energy: -381.955
where: short stacking energy: -174.048
Base-Backbone interact. energy: -0.173
local terms energy: -192.025232
where:
bonds (distance) C4'-P energy: -29.952
bonds (distance) P-C4' energy: -35.884
flat angles C4'-P-C4' energy: -40.633
flat angles P-C4'-P energy: -30.307
tors. eta vs tors. theta energy: -55.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.215 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -551.879820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.879820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.879820 (E_RNA)
where:
Base-Base interactions energy: -388.546
where: short stacking energy: -151.952
Base-Backbone interact. energy: -0.658
local terms energy: -162.675589
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -31.292
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -42.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -552.710642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.710642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.710642 (E_RNA)
where:
Base-Base interactions energy: -382.735
where: short stacking energy: -162.535
Base-Backbone interact. energy: -0.776
local terms energy: -169.200229
where:
bonds (distance) C4'-P energy: -30.345
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -24.604
tors. eta vs tors. theta energy: -51.436
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: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -528.079030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.079030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.079030 (E_RNA)
where:
Base-Base interactions energy: -365.181
where: short stacking energy: -147.249
Base-Backbone interact. energy: -0.440
local terms energy: -162.458263
where:
bonds (distance) C4'-P energy: -30.044
bonds (distance) P-C4' energy: -28.694
flat angles C4'-P-C4' energy: -37.425
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -49.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -508.719394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.719394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.719394 (E_RNA)
where:
Base-Base interactions energy: -340.274
where: short stacking energy: -145.645
Base-Backbone interact. energy: -0.205
local terms energy: -168.239737
where:
bonds (distance) C4'-P energy: -35.491
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -37.950
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -46.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -427.463851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.463851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.463851 (E_RNA)
where:
Base-Base interactions energy: -281.674
where: short stacking energy: -128.998
Base-Backbone interact. energy: -0.461
local terms energy: -145.329307
where:
bonds (distance) C4'-P energy: -31.448
bonds (distance) P-C4' energy: -31.649
flat angles C4'-P-C4' energy: -26.860
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -36.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -369.881782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.881782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.881782 (E_RNA)
where:
Base-Base interactions energy: -247.109
where: short stacking energy: -99.247
Base-Backbone interact. energy: 0.050
local terms energy: -122.823281
where:
bonds (distance) C4'-P energy: -25.382
bonds (distance) P-C4' energy: -30.984
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -20.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -163.292145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.292145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.292145 (E_RNA)
where:
Base-Base interactions energy: -63.393
where: short stacking energy: -47.386
Base-Backbone interact. energy: -1.687
local terms energy: -99.148325
where:
bonds (distance) C4'-P energy: -30.448
bonds (distance) P-C4' energy: -33.873
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: 5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.936 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -155.865871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.865871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.865871 (E_RNA)
where:
Base-Base interactions energy: -59.129
where: short stacking energy: -47.780
Base-Backbone interact. energy: 5.163
local terms energy: -101.899832
where:
bonds (distance) C4'-P energy: -26.721
bonds (distance) P-C4' energy: -31.964
flat angles C4'-P-C4' energy: -28.176
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -151.222065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.222065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.222065 (E_RNA)
where:
Base-Base interactions energy: -69.217
where: short stacking energy: -43.684
Base-Backbone interact. energy: -0.615
local terms energy: -82.263935
where:
bonds (distance) C4'-P energy: -33.525
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: 10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.874 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -568.605153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.605153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.605153 (E_RNA)
where:
Base-Base interactions energy: -385.259
where: short stacking energy: -180.109
Base-Backbone interact. energy: -0.161
local terms energy: -183.185122
where:
bonds (distance) C4'-P energy: -35.204
bonds (distance) P-C4' energy: -32.729
flat angles C4'-P-C4' energy: -36.354
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -52.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -545.413379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.413379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.413379 (E_RNA)
where:
Base-Base interactions energy: -371.090
where: short stacking energy: -148.717
Base-Backbone interact. energy: -0.510
local terms energy: -173.813471
where:
bonds (distance) C4'-P energy: -34.343
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -35.173
flat angles P-C4'-P energy: -26.789
tors. eta vs tors. theta energy: -44.218
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: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -555.618704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.618704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.618704 (E_RNA)
where:
Base-Base interactions energy: -384.772
where: short stacking energy: -157.151
Base-Backbone interact. energy: -0.196
local terms energy: -170.650906
where:
bonds (distance) C4'-P energy: -35.017
bonds (distance) P-C4' energy: -36.271
flat angles C4'-P-C4' energy: -37.427
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -44.499
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: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -532.304718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.304718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.304718 (E_RNA)
where:
Base-Base interactions energy: -367.923
where: short stacking energy: -147.924
Base-Backbone interact. energy: -0.649
local terms energy: -163.732322
where:
bonds (distance) C4'-P energy: -25.462
bonds (distance) P-C4' energy: -34.610
flat angles C4'-P-C4' energy: -33.446
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: -43.081
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: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -503.875381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.875381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.875381 (E_RNA)
where:
Base-Base interactions energy: -323.886
where: short stacking energy: -158.230
Base-Backbone interact. energy: 0.155
local terms energy: -180.346201
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -36.645
flat angles C4'-P-C4' energy: -40.417
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -52.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.203 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -420.509248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.509248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.509248 (E_RNA)
where:
Base-Base interactions energy: -280.326
where: short stacking energy: -112.765
Base-Backbone interact. energy: 1.084
local terms energy: -141.318516
where:
bonds (distance) C4'-P energy: -31.092
bonds (distance) P-C4' energy: -32.410
flat angles C4'-P-C4' energy: -36.085
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -28.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.050 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -376.160147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.160147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.160147 (E_RNA)
where:
Base-Base interactions energy: -238.942
where: short stacking energy: -112.774
Base-Backbone interact. energy: -0.253
local terms energy: -136.964579
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -26.315
flat angles C4'-P-C4' energy: -34.814
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -28.434
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: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -181.282958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.282958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.282958 (E_RNA)
where:
Base-Base interactions energy: -81.345
where: short stacking energy: -49.800
Base-Backbone interact. energy: -0.931
local terms energy: -99.006887
where:
bonds (distance) C4'-P energy: -24.935
bonds (distance) P-C4' energy: -33.417
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -1.931
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: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -180.300420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.300420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.300420 (E_RNA)
where:
Base-Base interactions energy: -73.019
where: short stacking energy: -50.173
Base-Backbone interact. energy: 0.295
local terms energy: -107.575812
where:
bonds (distance) C4'-P energy: -26.956
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -26.767
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -137.486923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.486923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.486923 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.742
local terms energy: -94.200528
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -33.375
flat angles C4'-P-C4' energy: -23.265
flat angles P-C4'-P energy: -15.717
tors. eta vs tors. theta energy: 8.299
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: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -593.794273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.794273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.794273 (E_RNA)
where:
Base-Base interactions energy: -403.745
where: short stacking energy: -190.133
Base-Backbone interact. energy: -0.291
local terms energy: -192.652505
where:
bonds (distance) C4'-P energy: -29.932
bonds (distance) P-C4' energy: -35.990
flat angles C4'-P-C4' energy: -39.166
flat angles P-C4'-P energy: -28.838
tors. eta vs tors. theta energy: -58.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.894 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -529.636277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.636277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.636277 (E_RNA)
where:
Base-Base interactions energy: -358.946
where: short stacking energy: -153.520
Base-Backbone interact. energy: -0.922
local terms energy: -169.919697
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -38.395
flat angles C4'-P-C4' energy: -37.528
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -41.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.152 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -532.977811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.977811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.977811 (E_RNA)
where:
Base-Base interactions energy: -362.982
where: short stacking energy: -148.845
Base-Backbone interact. energy: 0.977
local terms energy: -170.973081
where:
bonds (distance) C4'-P energy: -28.488
bonds (distance) P-C4' energy: -37.966
flat angles C4'-P-C4' energy: -36.364
flat angles P-C4'-P energy: -22.530
tors. eta vs tors. theta energy: -45.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -547.989489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.989489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.989489 (E_RNA)
where:
Base-Base interactions energy: -380.361
where: short stacking energy: -152.194
Base-Backbone interact. energy: -0.466
local terms energy: -167.162707
where:
bonds (distance) C4'-P energy: -33.391
bonds (distance) P-C4' energy: -28.246
flat angles C4'-P-C4' energy: -37.383
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -47.102
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: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -495.785418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.785418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.785418 (E_RNA)
where:
Base-Base interactions energy: -335.206
where: short stacking energy: -148.236
Base-Backbone interact. energy: 3.845
local terms energy: -164.423992
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -34.411
flat angles C4'-P-C4' energy: -35.577
flat angles P-C4'-P energy: -21.698
tors. eta vs tors. theta energy: -46.010
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: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -426.468931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.468931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.468931 (E_RNA)
where:
Base-Base interactions energy: -282.410
where: short stacking energy: -120.758
Base-Backbone interact. energy: -1.338
local terms energy: -142.721262
where:
bonds (distance) C4'-P energy: -24.406
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -37.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -391.176581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.176581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.176581 (E_RNA)
where:
Base-Base interactions energy: -267.630
where: short stacking energy: -124.082
Base-Backbone interact. energy: -0.117
local terms energy: -123.429749
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -34.389
flat angles C4'-P-C4' energy: -29.438
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -29.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -167.365552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.365552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.365552 (E_RNA)
where:
Base-Base interactions energy: -66.568
where: short stacking energy: -49.774
Base-Backbone interact. energy: -0.849
local terms energy: -99.948343
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -30.013
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: 0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -152.271724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.271724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.271724 (E_RNA)
where:
Base-Base interactions energy: -57.895
where: short stacking energy: -52.252
Base-Backbone interact. energy: 2.205
local terms energy: -98.668904
where:
bonds (distance) C4'-P energy: -26.562
bonds (distance) P-C4' energy: -35.365
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.087 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -222.705774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.705774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.705774 (E_RNA)
where:
Base-Base interactions energy: -119.401
where: short stacking energy: -60.979
Base-Backbone interact. energy: -0.590
local terms energy: -102.714141
where:
bonds (distance) C4'-P energy: -31.730
bonds (distance) P-C4' energy: -25.347
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -593.688530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.688530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.688530 (E_RNA)
where:
Base-Base interactions energy: -397.832
where: short stacking energy: -179.351
Base-Backbone interact. energy: -0.580
local terms energy: -195.276360
where:
bonds (distance) C4'-P energy: -33.938
bonds (distance) P-C4' energy: -40.541
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -27.204
tors. eta vs tors. theta energy: -55.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -543.893454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.893454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.893454 (E_RNA)
where:
Base-Base interactions energy: -371.818
where: short stacking energy: -158.441
Base-Backbone interact. energy: -0.007
local terms energy: -172.068346
where:
bonds (distance) C4'-P energy: -36.958
bonds (distance) P-C4' energy: -35.805
flat angles C4'-P-C4' energy: -34.034
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -43.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -531.007341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.007341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.007341 (E_RNA)
where:
Base-Base interactions energy: -370.507
where: short stacking energy: -147.776
Base-Backbone interact. energy: 2.560
local terms energy: -163.060644
where:
bonds (distance) C4'-P energy: -34.246
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -39.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -530.206793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.206793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.206793 (E_RNA)
where:
Base-Base interactions energy: -358.673
where: short stacking energy: -152.372
Base-Backbone interact. energy: -0.124
local terms energy: -171.409726
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -36.206
flat angles C4'-P-C4' energy: -30.379
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -43.862
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: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -495.898365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.898365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.898365 (E_RNA)
where:
Base-Base interactions energy: -328.578
where: short stacking energy: -150.432
Base-Backbone interact. energy: -0.844
local terms energy: -166.626414
where:
bonds (distance) C4'-P energy: -28.635
bonds (distance) P-C4' energy: -33.215
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -46.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.150 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -456.304005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.304005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.304005 (E_RNA)
where:
Base-Base interactions energy: -320.902
where: short stacking energy: -129.510
Base-Backbone interact. energy: -0.331
local terms energy: -135.071214
where:
bonds (distance) C4'-P energy: -29.682
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -32.430
flat angles P-C4'-P energy: -19.941
tors. eta vs tors. theta energy: -33.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -395.149460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.149460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.149460 (E_RNA)
where:
Base-Base interactions energy: -250.303
where: short stacking energy: -102.171
Base-Backbone interact. energy: 0.569
local terms energy: -145.415063
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -27.105
flat angles C4'-P-C4' energy: -35.778
flat angles P-C4'-P energy: -22.328
tors. eta vs tors. theta energy: -26.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -190.058519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.058519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.058519 (E_RNA)
where:
Base-Base interactions energy: -81.871
where: short stacking energy: -60.520
Base-Backbone interact. energy: 2.400
local terms energy: -110.588006
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -242.278612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.278612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.278612 (E_RNA)
where:
Base-Base interactions energy: -126.060
where: short stacking energy: -65.811
Base-Backbone interact. energy: -0.483
local terms energy: -115.735495
where:
bonds (distance) C4'-P energy: -32.267
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -27.165
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -157.436909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.436909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.436909 (E_RNA)
where:
Base-Base interactions energy: -61.509
where: short stacking energy: -43.900
Base-Backbone interact. energy: -0.870
local terms energy: -95.057895
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -28.142
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -23.523
tors. eta vs tors. theta energy: 2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -593.326164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.326164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.326164 (E_RNA)
where:
Base-Base interactions energy: -396.845
where: short stacking energy: -176.142
Base-Backbone interact. energy: -0.240
local terms energy: -196.241491
where:
bonds (distance) C4'-P energy: -35.344
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -36.921
flat angles P-C4'-P energy: -29.565
tors. eta vs tors. theta energy: -59.680
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: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -525.394112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.394112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.394112 (E_RNA)
where:
Base-Base interactions energy: -350.334
where: short stacking energy: -146.324
Base-Backbone interact. energy: -0.073
local terms energy: -174.987023
where:
bonds (distance) C4'-P energy: -34.672
bonds (distance) P-C4' energy: -32.766
flat angles C4'-P-C4' energy: -38.111
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: -40.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -546.916976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.916976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.916976 (E_RNA)
where:
Base-Base interactions energy: -373.129
where: short stacking energy: -160.713
Base-Backbone interact. energy: 1.282
local terms energy: -175.069517
where:
bonds (distance) C4'-P energy: -31.825
bonds (distance) P-C4' energy: -33.983
flat angles C4'-P-C4' energy: -37.735
flat angles P-C4'-P energy: -23.359
tors. eta vs tors. theta energy: -48.168
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: 411
Temperature: 1.050000
Total energy: -522.577567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.577567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.577567 (E_RNA)
where:
Base-Base interactions energy: -369.921
where: short stacking energy: -157.088
Base-Backbone interact. energy: -1.597
local terms energy: -151.059368
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -32.925
flat angles C4'-P-C4' energy: -31.951
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -44.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -518.549662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.549662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.549662 (E_RNA)
where:
Base-Base interactions energy: -349.014
where: short stacking energy: -150.280
Base-Backbone interact. energy: -0.112
local terms energy: -169.423830
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -31.803
flat angles C4'-P-C4' energy: -35.095
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: -48.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -483.083966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.083966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.083966 (E_RNA)
where:
Base-Base interactions energy: -330.745
where: short stacking energy: -134.911
Base-Backbone interact. energy: -0.555
local terms energy: -151.783358
where:
bonds (distance) C4'-P energy: -38.428
bonds (distance) P-C4' energy: -30.036
flat angles C4'-P-C4' energy: -32.313
flat angles P-C4'-P energy: -15.810
tors. eta vs tors. theta energy: -35.196
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: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -392.461148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.461148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.461148 (E_RNA)
where:
Base-Base interactions energy: -269.583
where: short stacking energy: -103.972
Base-Backbone interact. energy: -0.289
local terms energy: -122.589226
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -34.757
flat angles C4'-P-C4' energy: -31.328
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -345.514798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.514798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.514798 (E_RNA)
where:
Base-Base interactions energy: -213.314
where: short stacking energy: -97.746
Base-Backbone interact. energy: 0.033
local terms energy: -132.233718
where:
bonds (distance) C4'-P energy: -28.015
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -25.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -156.517056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.517056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.517056 (E_RNA)
where:
Base-Base interactions energy: -65.482
where: short stacking energy: -44.660
Base-Backbone interact. energy: -0.588
local terms energy: -90.446825
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -1.493
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: 10, replica: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -164.519034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.519034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.519034 (E_RNA)
where:
Base-Base interactions energy: -72.924
where: short stacking energy: -49.122
Base-Backbone interact. energy: 0.449
local terms energy: -92.044194
where:
bonds (distance) C4'-P energy: -29.427
bonds (distance) P-C4' energy: -29.884
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -3.487
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: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -593.720244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.720244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.720244 (E_RNA)
where:
Base-Base interactions energy: -388.788
where: short stacking energy: -171.320
Base-Backbone interact. energy: -0.580
local terms energy: -204.353164
where:
bonds (distance) C4'-P energy: -36.349
bonds (distance) P-C4' energy: -37.276
flat angles C4'-P-C4' energy: -41.258
flat angles P-C4'-P energy: -30.347
tors. eta vs tors. theta energy: -59.124
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: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -534.789263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.789263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.789263 (E_RNA)
where:
Base-Base interactions energy: -359.593
where: short stacking energy: -150.782
Base-Backbone interact. energy: -0.603
local terms energy: -174.592736
where:
bonds (distance) C4'-P energy: -35.870
bonds (distance) P-C4' energy: -36.238
flat angles C4'-P-C4' energy: -39.938
flat angles P-C4'-P energy: -21.992
tors. eta vs tors. theta energy: -40.555
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: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -554.433498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.433498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.433498 (E_RNA)
where:
Base-Base interactions energy: -378.766
where: short stacking energy: -155.290
Base-Backbone interact. energy: -0.868
local terms energy: -174.798984
where:
bonds (distance) C4'-P energy: -34.507
bonds (distance) P-C4' energy: -32.773
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -25.349
tors. eta vs tors. theta energy: -48.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -530.288442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.288442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.288442 (E_RNA)
where:
Base-Base interactions energy: -361.315
where: short stacking energy: -149.380
Base-Backbone interact. energy: -1.287
local terms energy: -167.687277
where:
bonds (distance) C4'-P energy: -29.627
bonds (distance) P-C4' energy: -35.063
flat angles C4'-P-C4' energy: -35.322
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -43.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -506.132924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.132924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.132924 (E_RNA)
where:
Base-Base interactions energy: -350.423
where: short stacking energy: -160.361
Base-Backbone interact. energy: -1.565
local terms energy: -154.485312
where:
bonds (distance) C4'-P energy: -32.024
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -34.411
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -45.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.341 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -420.599521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.599521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.599521 (E_RNA)
where:
Base-Base interactions energy: -286.091
where: short stacking energy: -109.385
Base-Backbone interact. energy: -1.257
local terms energy: -133.251378
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -30.150
flat angles C4'-P-C4' energy: -27.654
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -30.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -403.985228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.985228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.985228 (E_RNA)
where:
Base-Base interactions energy: -267.604
where: short stacking energy: -123.147
Base-Backbone interact. energy: -0.941
local terms energy: -135.713794
where:
bonds (distance) C4'-P energy: -30.697
bonds (distance) P-C4' energy: -31.986
flat angles C4'-P-C4' energy: -29.519
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -26.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.273 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -389.899539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.899539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.899539 (E_RNA)
where:
Base-Base interactions energy: -260.359
where: short stacking energy: -123.024
Base-Backbone interact. energy: -0.053
local terms energy: -129.488052
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -29.412
flat angles P-C4'-P energy: -22.148
tors. eta vs tors. theta energy: -24.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -168.827019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.827019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.827019 (E_RNA)
where:
Base-Base interactions energy: -64.958
where: short stacking energy: -48.255
Base-Backbone interact. energy: 0.957
local terms energy: -104.861534
where:
bonds (distance) C4'-P energy: -30.522
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.035 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -147.742094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.742094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.742094 (E_RNA)
where:
Base-Base interactions energy: -53.949
where: short stacking energy: -41.875
Base-Backbone interact. energy: 0.091
local terms energy: -93.883893
where:
bonds (distance) C4'-P energy: -27.916
bonds (distance) P-C4' energy: -28.631
flat angles C4'-P-C4' energy: -24.106
flat angles P-C4'-P energy: -12.086
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: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -583.216209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.216209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.216209 (E_RNA)
where:
Base-Base interactions energy: -389.716
where: short stacking energy: -165.062
Base-Backbone interact. energy: 1.314
local terms energy: -194.814361
where:
bonds (distance) C4'-P energy: -38.065
bonds (distance) P-C4' energy: -37.744
flat angles C4'-P-C4' energy: -33.853
flat angles P-C4'-P energy: -29.800
tors. eta vs tors. theta energy: -55.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -564.932839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.932839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.932839 (E_RNA)
where:
Base-Base interactions energy: -383.250
where: short stacking energy: -149.871
Base-Backbone interact. energy: 2.828
local terms energy: -184.833651
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -34.250
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -32.287
tors. eta vs tors. theta energy: -51.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.322 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -526.148961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.148961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.148961 (E_RNA)
where:
Base-Base interactions energy: -369.025
where: short stacking energy: -155.520
Base-Backbone interact. energy: 0.702
local terms energy: -157.825398
where:
bonds (distance) C4'-P energy: -33.766
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -32.781
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -41.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -522.746048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.746048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.746048 (E_RNA)
where:
Base-Base interactions energy: -344.052
where: short stacking energy: -149.575
Base-Backbone interact. energy: -0.291
local terms energy: -178.402510
where:
bonds (distance) C4'-P energy: -33.679
bonds (distance) P-C4' energy: -34.471
flat angles C4'-P-C4' energy: -39.096
flat angles P-C4'-P energy: -23.168
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: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -489.668094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.668094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.668094 (E_RNA)
where:
Base-Base interactions energy: -333.633
where: short stacking energy: -148.416
Base-Backbone interact. energy: -0.644
local terms energy: -155.391470
where:
bonds (distance) C4'-P energy: -28.255
bonds (distance) P-C4' energy: -28.287
flat angles C4'-P-C4' energy: -32.592
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -44.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -416.527164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.527164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.527164 (E_RNA)
where:
Base-Base interactions energy: -288.727
where: short stacking energy: -110.778
Base-Backbone interact. energy: -0.957
local terms energy: -128.390000
where:
bonds (distance) C4'-P energy: -28.377
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -19.847
tors. eta vs tors. theta energy: -24.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.547 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -416.666654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.666654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.666654 (E_RNA)
where:
Base-Base interactions energy: -272.527
where: short stacking energy: -109.982
Base-Backbone interact. energy: -2.119
local terms energy: -142.019943
where:
bonds (distance) C4'-P energy: -26.900
bonds (distance) P-C4' energy: -35.175
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -20.792
tors. eta vs tors. theta energy: -24.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -405.335240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.335240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.335240 (E_RNA)
where:
Base-Base interactions energy: -256.208
where: short stacking energy: -107.124
Base-Backbone interact. energy: -0.164
local terms energy: -149.038706
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -29.743
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.076 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -162.000963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.000963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.000963 (E_RNA)
where:
Base-Base interactions energy: -48.911
where: short stacking energy: -45.585
Base-Backbone interact. energy: -0.065
local terms energy: -113.024876
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -31.539
flat angles C4'-P-C4' energy: -30.687
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -150.714956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.714956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.714956 (E_RNA)
where:
Base-Base interactions energy: -42.606
where: short stacking energy: -42.704
Base-Backbone interact. energy: -0.364
local terms energy: -107.745322
where:
bonds (distance) C4'-P energy: -29.101
bonds (distance) P-C4' energy: -34.004
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: 1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -580.755448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.755448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.755448 (E_RNA)
where:
Base-Base interactions energy: -397.991
where: short stacking energy: -157.813
Base-Backbone interact. energy: 1.943
local terms energy: -184.707534
where:
bonds (distance) C4'-P energy: -36.230
bonds (distance) P-C4' energy: -35.323
flat angles C4'-P-C4' energy: -40.036
flat angles P-C4'-P energy: -26.868
tors. eta vs tors. theta energy: -46.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -598.051978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.051978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.051978 (E_RNA)
where:
Base-Base interactions energy: -406.147
where: short stacking energy: -173.259
Base-Backbone interact. energy: -0.173
local terms energy: -191.732172
where:
bonds (distance) C4'-P energy: -32.844
bonds (distance) P-C4' energy: -32.888
flat angles C4'-P-C4' energy: -39.995
flat angles P-C4'-P energy: -30.038
tors. eta vs tors. theta energy: -55.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -536.680996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.680996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.680996 (E_RNA)
where:
Base-Base interactions energy: -365.085
where: short stacking energy: -150.159
Base-Backbone interact. energy: -0.148
local terms energy: -171.447269
where:
bonds (distance) C4'-P energy: -36.838
bonds (distance) P-C4' energy: -31.143
flat angles C4'-P-C4' energy: -29.335
flat angles P-C4'-P energy: -29.205
tors. eta vs tors. theta energy: -44.926
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: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -515.007132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.007132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.007132 (E_RNA)
where:
Base-Base interactions energy: -359.268
where: short stacking energy: -145.338
Base-Backbone interact. energy: -0.159
local terms energy: -155.580704
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -30.739
flat angles C4'-P-C4' energy: -31.540
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: -44.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -484.706813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.706813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.706813 (E_RNA)
where:
Base-Base interactions energy: -319.989
where: short stacking energy: -148.583
Base-Backbone interact. energy: -0.160
local terms energy: -164.557965
where:
bonds (distance) C4'-P energy: -29.970
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -47.270
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: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -419.533158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.533158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.533158 (E_RNA)
where:
Base-Base interactions energy: -280.505
where: short stacking energy: -103.631
Base-Backbone interact. energy: -0.152
local terms energy: -138.876227
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -33.554
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -23.922
tors. eta vs tors. theta energy: -27.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -438.788156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.788156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.788156 (E_RNA)
where:
Base-Base interactions energy: -287.087
where: short stacking energy: -119.504
Base-Backbone interact. energy: -0.250
local terms energy: -151.451021
where:
bonds (distance) C4'-P energy: -30.750
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -31.575
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -33.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -407.907782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.907782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.907782 (E_RNA)
where:
Base-Base interactions energy: -268.444
where: short stacking energy: -117.416
Base-Backbone interact. energy: -0.063
local terms energy: -139.400209
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -32.207
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: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -150.619436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.619436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.619436 (E_RNA)
where:
Base-Base interactions energy: -43.120
where: short stacking energy: -37.735
Base-Backbone interact. energy: 0.371
local terms energy: -107.870578
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -32.098
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -20.922
tors. eta vs tors. theta energy: -0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -165.611994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.611994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.611994 (E_RNA)
where:
Base-Base interactions energy: -82.994
where: short stacking energy: -63.881
Base-Backbone interact. energy: 0.093
local terms energy: -84.417212
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -29.983
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: 2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.706 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -586.905671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.905671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.905671 (E_RNA)
where:
Base-Base interactions energy: -410.816
where: short stacking energy: -168.951
Base-Backbone interact. energy: -0.015
local terms energy: -176.075186
where:
bonds (distance) C4'-P energy: -34.853
bonds (distance) P-C4' energy: -34.528
flat angles C4'-P-C4' energy: -39.716
flat angles P-C4'-P energy: -18.723
tors. eta vs tors. theta energy: -48.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -590.271333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.271333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.271333 (E_RNA)
where:
Base-Base interactions energy: -411.268
where: short stacking energy: -176.765
Base-Backbone interact. energy: -0.342
local terms energy: -180.536430
where:
bonds (distance) C4'-P energy: -31.393
bonds (distance) P-C4' energy: -30.075
flat angles C4'-P-C4' energy: -38.140
flat angles P-C4'-P energy: -25.493
tors. eta vs tors. theta energy: -55.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.875 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -527.675428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.675428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.675428 (E_RNA)
where:
Base-Base interactions energy: -377.600
where: short stacking energy: -145.022
Base-Backbone interact. energy: -0.329
local terms energy: -149.746067
where:
bonds (distance) C4'-P energy: -30.012
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -28.177
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -40.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -536.332987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.332987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.332987 (E_RNA)
where:
Base-Base interactions energy: -359.352
where: short stacking energy: -143.720
Base-Backbone interact. energy: -0.646
local terms energy: -177.418294
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -32.631
flat angles C4'-P-C4' energy: -38.647
flat angles P-C4'-P energy: -26.948
tors. eta vs tors. theta energy: -44.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.083 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -456.482045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.482045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.482045 (E_RNA)
where:
Base-Base interactions energy: -300.008
where: short stacking energy: -130.625
Base-Backbone interact. energy: -1.468
local terms energy: -155.006680
where:
bonds (distance) C4'-P energy: -33.069
bonds (distance) P-C4' energy: -37.175
flat angles C4'-P-C4' energy: -32.164
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -33.324
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: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -454.888809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.888809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.888809 (E_RNA)
where:
Base-Base interactions energy: -309.378
where: short stacking energy: -123.586
Base-Backbone interact. energy: -1.128
local terms energy: -144.383429
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -32.083
flat angles C4'-P-C4' energy: -34.622
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -33.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -414.133912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.133912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.133912 (E_RNA)
where:
Base-Base interactions energy: -273.612
where: short stacking energy: -107.748
Base-Backbone interact. energy: -0.419
local terms energy: -140.102260
where:
bonds (distance) C4'-P energy: -29.465
bonds (distance) P-C4' energy: -32.162
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -387.228383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.228383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.228383 (E_RNA)
where:
Base-Base interactions energy: -271.788
where: short stacking energy: -119.500
Base-Backbone interact. energy: -1.182
local terms energy: -114.258435
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -29.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -166.331302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.331302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.331302 (E_RNA)
where:
Base-Base interactions energy: -59.728
where: short stacking energy: -59.728
Base-Backbone interact. energy: 0.402
local terms energy: -107.217210
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -33.108
flat angles C4'-P-C4' energy: -31.514
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.212 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -139.787177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.787177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.787177 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -36.923
Base-Backbone interact. energy: 0.609
local terms energy: -103.228006
where:
bonds (distance) C4'-P energy: -34.171
bonds (distance) P-C4' energy: -33.607
flat angles C4'-P-C4' energy: -28.888
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: 10.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.293 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -583.803869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.803869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.803869 (E_RNA)
where:
Base-Base interactions energy: -397.759
where: short stacking energy: -154.426
Base-Backbone interact. energy: -0.310
local terms energy: -185.735514
where:
bonds (distance) C4'-P energy: -37.872
bonds (distance) P-C4' energy: -38.725
flat angles C4'-P-C4' energy: -37.135
flat angles P-C4'-P energy: -25.066
tors. eta vs tors. theta energy: -46.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -571.747537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.747537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.747537 (E_RNA)
where:
Base-Base interactions energy: -391.925
where: short stacking energy: -164.980
Base-Backbone interact. energy: -0.134
local terms energy: -179.688890
where:
bonds (distance) C4'-P energy: -37.075
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -33.193
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: -56.429
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: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -538.905476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.905476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.905476 (E_RNA)
where:
Base-Base interactions energy: -376.181
where: short stacking energy: -158.646
Base-Backbone interact. energy: -0.204
local terms energy: -162.858044
where:
bonds (distance) C4'-P energy: -36.485
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -31.272
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -42.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.338 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -518.619986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.619986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.619986 (E_RNA)
where:
Base-Base interactions energy: -363.738
where: short stacking energy: -143.791
Base-Backbone interact. energy: -0.257
local terms energy: -154.625038
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -34.523
flat angles C4'-P-C4' energy: -35.452
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -38.029
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: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -477.785848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.785848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.785848 (E_RNA)
where:
Base-Base interactions energy: -321.213
where: short stacking energy: -128.592
Base-Backbone interact. energy: 0.571
local terms energy: -157.144413
where:
bonds (distance) C4'-P energy: -28.338
bonds (distance) P-C4' energy: -27.317
flat angles C4'-P-C4' energy: -42.226
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -38.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -488.012992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.012992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.012992 (E_RNA)
where:
Base-Base interactions energy: -321.661
where: short stacking energy: -140.447
Base-Backbone interact. energy: -0.180
local terms energy: -166.172096
where:
bonds (distance) C4'-P energy: -31.630
bonds (distance) P-C4' energy: -30.349
flat angles C4'-P-C4' energy: -34.959
flat angles P-C4'-P energy: -25.441
tors. eta vs tors. theta energy: -43.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -407.877043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.877043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.877043 (E_RNA)
where:
Base-Base interactions energy: -252.002
where: short stacking energy: -109.701
Base-Backbone interact. energy: 0.124
local terms energy: -155.998997
where:
bonds (distance) C4'-P energy: -37.181
bonds (distance) P-C4' energy: -37.491
flat angles C4'-P-C4' energy: -30.672
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -34.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -403.228876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.228876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.228876 (E_RNA)
where:
Base-Base interactions energy: -275.422
where: short stacking energy: -124.689
Base-Backbone interact. energy: 0.003
local terms energy: -127.809854
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -30.086
flat angles P-C4'-P energy: -16.864
tors. eta vs tors. theta energy: -33.587
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: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -204.245189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.245189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.245189 (E_RNA)
where:
Base-Base interactions energy: -108.857
where: short stacking energy: -59.818
Base-Backbone interact. energy: -1.556
local terms energy: -93.832140
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -28.888
flat angles C4'-P-C4' energy: -28.148
flat angles P-C4'-P energy: -18.352
tors. eta vs tors. theta energy: 2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -166.932040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.932040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.932040 (E_RNA)
where:
Base-Base interactions energy: -58.681
where: short stacking energy: -26.440
Base-Backbone interact. energy: 0.870
local terms energy: -109.121444
where:
bonds (distance) C4'-P energy: -28.986
bonds (distance) P-C4' energy: -32.531
flat angles C4'-P-C4' energy: -26.712
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -1.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -595.604587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.604587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.604587 (E_RNA)
where:
Base-Base interactions energy: -421.562
where: short stacking energy: -169.829
Base-Backbone interact. energy: -1.111
local terms energy: -172.931985
where:
bonds (distance) C4'-P energy: -33.075
bonds (distance) P-C4' energy: -28.991
flat angles C4'-P-C4' energy: -39.664
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -50.398
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: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -550.173234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.173234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.173234 (E_RNA)
where:
Base-Base interactions energy: -393.610
where: short stacking energy: -159.510
Base-Backbone interact. energy: -0.434
local terms energy: -156.129326
where:
bonds (distance) C4'-P energy: -32.481
bonds (distance) P-C4' energy: -32.252
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -18.884
tors. eta vs tors. theta energy: -41.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -565.785065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.785065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.785065 (E_RNA)
where:
Base-Base interactions energy: -389.223
where: short stacking energy: -168.125
Base-Backbone interact. energy: -0.131
local terms energy: -177.981150
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -35.789
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -56.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.550 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -519.677927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.677927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.677927 (E_RNA)
where:
Base-Base interactions energy: -362.019
where: short stacking energy: -142.405
Base-Backbone interact. energy: -0.810
local terms energy: -156.849466
where:
bonds (distance) C4'-P energy: -30.900
bonds (distance) P-C4' energy: -31.267
flat angles C4'-P-C4' energy: -36.127
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -37.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -511.752213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.752213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.752213 (E_RNA)
where:
Base-Base interactions energy: -352.651
where: short stacking energy: -155.377
Base-Backbone interact. energy: -1.266
local terms energy: -157.834816
where:
bonds (distance) C4'-P energy: -24.795
bonds (distance) P-C4' energy: -31.381
flat angles C4'-P-C4' energy: -36.254
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: -40.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -466.817974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.817974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.817974 (E_RNA)
where:
Base-Base interactions energy: -317.322
where: short stacking energy: -128.470
Base-Backbone interact. energy: 0.074
local terms energy: -149.683455
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -33.452
flat angles C4'-P-C4' energy: -37.210
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -34.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.114 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -426.462456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.462456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.462456 (E_RNA)
where:
Base-Base interactions energy: -272.085
where: short stacking energy: -122.300
Base-Backbone interact. energy: -0.521
local terms energy: -153.857280
where:
bonds (distance) C4'-P energy: -28.823
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -27.523
flat angles P-C4'-P energy: -25.969
tors. eta vs tors. theta energy: -35.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -420.152613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.152613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.152613 (E_RNA)
where:
Base-Base interactions energy: -267.046
where: short stacking energy: -110.451
Base-Backbone interact. energy: 0.332
local terms energy: -153.438770
where:
bonds (distance) C4'-P energy: -33.241
bonds (distance) P-C4' energy: -35.145
flat angles C4'-P-C4' energy: -36.500
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -27.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -153.367541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.367541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.367541 (E_RNA)
where:
Base-Base interactions energy: -57.820
where: short stacking energy: -49.840
Base-Backbone interact. energy: -0.595
local terms energy: -95.725500
where:
bonds (distance) C4'-P energy: -26.520
bonds (distance) P-C4' energy: -27.632
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: 2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.772 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -141.578619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.578619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.578619 (E_RNA)
where:
Base-Base interactions energy: -33.760
where: short stacking energy: -29.347
Base-Backbone interact. energy: 0.118
local terms energy: -107.936902
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -33.927
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: 3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -585.295246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.295246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.295246 (E_RNA)
where:
Base-Base interactions energy: -400.821
where: short stacking energy: -160.153
Base-Backbone interact. energy: -0.781
local terms energy: -183.693111
where:
bonds (distance) C4'-P energy: -31.899
bonds (distance) P-C4' energy: -37.381
flat angles C4'-P-C4' energy: -39.189
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: -49.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -551.246200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.246200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.246200 (E_RNA)
where:
Base-Base interactions energy: -383.562
where: short stacking energy: -161.599
Base-Backbone interact. energy: -0.873
local terms energy: -166.811007
where:
bonds (distance) C4'-P energy: -30.308
bonds (distance) P-C4' energy: -35.161
flat angles C4'-P-C4' energy: -37.085
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -44.167
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: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -555.154735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.154735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.154735 (E_RNA)
where:
Base-Base interactions energy: -380.630
where: short stacking energy: -159.891
Base-Backbone interact. energy: -0.072
local terms energy: -175.259833
where:
bonds (distance) C4'-P energy: -29.775
bonds (distance) P-C4' energy: -39.392
flat angles C4'-P-C4' energy: -36.476
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -49.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.807 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -530.034599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.034599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.034599 (E_RNA)
where:
Base-Base interactions energy: -364.454
where: short stacking energy: -156.900
Base-Backbone interact. energy: -0.043
local terms energy: -165.537592
where:
bonds (distance) C4'-P energy: -37.455
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -31.925
flat angles P-C4'-P energy: -20.605
tors. eta vs tors. theta energy: -44.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -498.681797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.681797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.681797 (E_RNA)
where:
Base-Base interactions energy: -337.612
where: short stacking energy: -144.745
Base-Backbone interact. energy: 0.752
local terms energy: -161.821708
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -30.254
flat angles C4'-P-C4' energy: -34.329
flat angles P-C4'-P energy: -22.443
tors. eta vs tors. theta energy: -42.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -413.692473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.692473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.692473 (E_RNA)
where:
Base-Base interactions energy: -279.903
where: short stacking energy: -111.487
Base-Backbone interact. energy: -0.181
local terms energy: -133.608739
where:
bonds (distance) C4'-P energy: -27.634
bonds (distance) P-C4' energy: -30.827
flat angles C4'-P-C4' energy: -26.893
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -25.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -418.262730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.262730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.262730 (E_RNA)
where:
Base-Base interactions energy: -293.728
where: short stacking energy: -119.113
Base-Backbone interact. energy: -0.348
local terms energy: -124.186632
where:
bonds (distance) C4'-P energy: -26.231
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -27.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -375.369358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.369358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.369358 (E_RNA)
where:
Base-Base interactions energy: -252.520
where: short stacking energy: -113.604
Base-Backbone interact. energy: 0.780
local terms energy: -123.628781
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -29.747
flat angles C4'-P-C4' energy: -28.253
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -157.833463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.833463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.833463 (E_RNA)
where:
Base-Base interactions energy: -58.568
where: short stacking energy: -47.376
Base-Backbone interact. energy: -1.087
local terms energy: -98.178939
where:
bonds (distance) C4'-P energy: -32.333
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: 3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -135.479659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.479659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.479659 (E_RNA)
where:
Base-Base interactions energy: -32.345
where: short stacking energy: -28.691
Base-Backbone interact. energy: -1.461
local terms energy: -102.445174
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -30.590
flat angles C4'-P-C4' energy: -27.146
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.772 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -567.100792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.100792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.100792 (E_RNA)
where:
Base-Base interactions energy: -392.140
where: short stacking energy: -159.622
Base-Backbone interact. energy: -0.311
local terms energy: -174.649818
where:
bonds (distance) C4'-P energy: -36.527
bonds (distance) P-C4' energy: -32.533
flat angles C4'-P-C4' energy: -38.200
flat angles P-C4'-P energy: -22.320
tors. eta vs tors. theta energy: -45.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -548.841230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.841230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.841230 (E_RNA)
where:
Base-Base interactions energy: -370.105
where: short stacking energy: -174.466
Base-Backbone interact. energy: -0.049
local terms energy: -178.687816
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -34.138
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: -52.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -524.139209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.139209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.139209 (E_RNA)
where:
Base-Base interactions energy: -368.854
where: short stacking energy: -151.309
Base-Backbone interact. energy: -0.009
local terms energy: -155.276360
where:
bonds (distance) C4'-P energy: -30.867
bonds (distance) P-C4' energy: -31.568
flat angles C4'-P-C4' energy: -33.246
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: -36.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -520.576769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.576769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.576769 (E_RNA)
where:
Base-Base interactions energy: -359.826
where: short stacking energy: -143.197
Base-Backbone interact. energy: -1.975
local terms energy: -158.775317
where:
bonds (distance) C4'-P energy: -27.570
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -34.907
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -46.027
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: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -502.434802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.434802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.434802 (E_RNA)
where:
Base-Base interactions energy: -332.731
where: short stacking energy: -149.861
Base-Backbone interact. energy: -0.228
local terms energy: -171.155495
where:
bonds (distance) C4'-P energy: -34.455
bonds (distance) P-C4' energy: -30.394
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -45.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.679 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -434.289474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.289474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.289474 (E_RNA)
where:
Base-Base interactions energy: -296.617
where: short stacking energy: -135.221
Base-Backbone interact. energy: -0.648
local terms energy: -137.024043
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -33.183
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -37.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -422.570546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.570546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.570546 (E_RNA)
where:
Base-Base interactions energy: -291.480
where: short stacking energy: -129.231
Base-Backbone interact. energy: -1.531
local terms energy: -129.559638
where:
bonds (distance) C4'-P energy: -24.606
bonds (distance) P-C4' energy: -31.433
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -28.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -392.183576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.183576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.183576 (E_RNA)
where:
Base-Base interactions energy: -267.241
where: short stacking energy: -109.940
Base-Backbone interact. energy: -1.547
local terms energy: -123.395195
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -27.856
flat angles C4'-P-C4' energy: -28.878
flat angles P-C4'-P energy: -23.537
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -163.095766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.095766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.095766 (E_RNA)
where:
Base-Base interactions energy: -59.184
where: short stacking energy: -51.819
Base-Backbone interact. energy: -0.104
local terms energy: -103.806997
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -28.643
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -22.334
tors. eta vs tors. theta energy: -0.815
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: 10, replica: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -147.179801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.179801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.179801 (E_RNA)
where:
Base-Base interactions energy: -52.335
where: short stacking energy: -40.045
Base-Backbone interact. energy: -0.845
local terms energy: -93.999512
where:
bonds (distance) C4'-P energy: -23.673
bonds (distance) P-C4' energy: -28.171
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -563.399118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.399118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.399118 (E_RNA)
where:
Base-Base interactions energy: -379.970
where: short stacking energy: -153.882
Base-Backbone interact. energy: -0.470
local terms energy: -182.958745
where:
bonds (distance) C4'-P energy: -31.880
bonds (distance) P-C4' energy: -37.783
flat angles C4'-P-C4' energy: -39.138
flat angles P-C4'-P energy: -30.541
tors. eta vs tors. theta energy: -43.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -561.865160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.865160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.865160 (E_RNA)
where:
Base-Base interactions energy: -373.271
where: short stacking energy: -173.800
Base-Backbone interact. energy: -0.176
local terms energy: -188.418230
where:
bonds (distance) C4'-P energy: -32.968
bonds (distance) P-C4' energy: -41.986
flat angles C4'-P-C4' energy: -39.191
flat angles P-C4'-P energy: -25.059
tors. eta vs tors. theta energy: -49.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -537.662735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.662735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.662735 (E_RNA)
where:
Base-Base interactions energy: -373.550
where: short stacking energy: -149.852
Base-Backbone interact. energy: 0.315
local terms energy: -164.426957
where:
bonds (distance) C4'-P energy: -34.718
bonds (distance) P-C4' energy: -31.315
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -45.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -528.010387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.010387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.010387 (E_RNA)
where:
Base-Base interactions energy: -354.669
where: short stacking energy: -152.119
Base-Backbone interact. energy: 0.088
local terms energy: -173.831555
where:
bonds (distance) C4'-P energy: -30.052
bonds (distance) P-C4' energy: -33.905
flat angles C4'-P-C4' energy: -38.221
flat angles P-C4'-P energy: -22.978
tors. eta vs tors. theta energy: -48.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.403 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -510.116308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.116308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.116308 (E_RNA)
where:
Base-Base interactions energy: -345.232
where: short stacking energy: -165.411
Base-Backbone interact. energy: -0.030
local terms energy: -164.855146
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -33.391
flat angles C4'-P-C4' energy: -37.872
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -50.312
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: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -428.886558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.886558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.886558 (E_RNA)
where:
Base-Base interactions energy: -276.832
where: short stacking energy: -119.389
Base-Backbone interact. energy: -0.476
local terms energy: -151.578064
where:
bonds (distance) C4'-P energy: -33.509
bonds (distance) P-C4' energy: -36.273
flat angles C4'-P-C4' energy: -28.209
flat angles P-C4'-P energy: -19.601
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: 420
Temperature: 1.200000
Total energy: -413.985280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.985280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.985280 (E_RNA)
where:
Base-Base interactions energy: -276.751
where: short stacking energy: -118.172
Base-Backbone interact. energy: 1.288
local terms energy: -138.522626
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -31.424
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -22.684
tors. eta vs tors. theta energy: -30.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -400.074524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.074524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.074524 (E_RNA)
where:
Base-Base interactions energy: -264.092
where: short stacking energy: -104.816
Base-Backbone interact. energy: -0.138
local terms energy: -135.844836
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -26.557
flat angles C4'-P-C4' energy: -32.230
flat angles P-C4'-P energy: -19.436
tors. eta vs tors. theta energy: -28.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -197.077161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.077161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.077161 (E_RNA)
where:
Base-Base interactions energy: -91.648
where: short stacking energy: -59.190
Base-Backbone interact. energy: -0.698
local terms energy: -105.369993
where:
bonds (distance) C4'-P energy: -31.485
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -26.882
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.639 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -192.202775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.202775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.202775 (E_RNA)
where:
Base-Base interactions energy: -90.360
where: short stacking energy: -55.264
Base-Backbone interact. energy: -0.805
local terms energy: -101.037882
where:
bonds (distance) C4'-P energy: -23.547
bonds (distance) P-C4' energy: -31.766
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -560.869556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.869556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.869556 (E_RNA)
where:
Base-Base interactions energy: -386.391
where: short stacking energy: -160.521
Base-Backbone interact. energy: -0.692
local terms energy: -173.786301
where:
bonds (distance) C4'-P energy: -36.551
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -37.176
flat angles P-C4'-P energy: -29.190
tors. eta vs tors. theta energy: -46.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -573.684044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.684044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.684044 (E_RNA)
where:
Base-Base interactions energy: -387.331
where: short stacking energy: -174.674
Base-Backbone interact. energy: -0.121
local terms energy: -186.232293
where:
bonds (distance) C4'-P energy: -30.582
bonds (distance) P-C4' energy: -34.829
flat angles C4'-P-C4' energy: -37.113
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -58.345
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: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -540.390167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.390167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.390167 (E_RNA)
where:
Base-Base interactions energy: -366.735
where: short stacking energy: -153.372
Base-Backbone interact. energy: 0.652
local terms energy: -174.306986
where:
bonds (distance) C4'-P energy: -35.270
bonds (distance) P-C4' energy: -32.521
flat angles C4'-P-C4' energy: -42.275
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -46.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -520.371123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.371123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.371123 (E_RNA)
where:
Base-Base interactions energy: -341.337
where: short stacking energy: -152.970
Base-Backbone interact. energy: -0.006
local terms energy: -179.028493
where:
bonds (distance) C4'-P energy: -33.402
bonds (distance) P-C4' energy: -33.816
flat angles C4'-P-C4' energy: -36.528
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: -52.277
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: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -533.301716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.301716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.301716 (E_RNA)
where:
Base-Base interactions energy: -360.959
where: short stacking energy: -144.551
Base-Backbone interact. energy: -0.412
local terms energy: -171.930039
where:
bonds (distance) C4'-P energy: -32.498
bonds (distance) P-C4' energy: -37.039
flat angles C4'-P-C4' energy: -35.119
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -49.651
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: 421
Temperature: 1.150000
Total energy: -463.005188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.005188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.005188 (E_RNA)
where:
Base-Base interactions energy: -311.253
where: short stacking energy: -139.235
Base-Backbone interact. energy: -0.728
local terms energy: -151.024464
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -32.440
flat angles C4'-P-C4' energy: -33.753
flat angles P-C4'-P energy: -26.566
tors. eta vs tors. theta energy: -34.391
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: 7, replica: 7
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -424.204271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.204271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.204271 (E_RNA)
where:
Base-Base interactions energy: -279.633
where: short stacking energy: -111.485
Base-Backbone interact. energy: -0.875
local terms energy: -143.696552
where:
bonds (distance) C4'-P energy: -33.805
bonds (distance) P-C4' energy: -32.265
flat angles C4'-P-C4' energy: -31.904
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -30.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -394.401801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.401801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.401801 (E_RNA)
where:
Base-Base interactions energy: -256.601
where: short stacking energy: -112.827
Base-Backbone interact. energy: -0.370
local terms energy: -137.431205
where:
bonds (distance) C4'-P energy: -30.199
bonds (distance) P-C4' energy: -27.420
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -24.473
tors. eta vs tors. theta energy: -27.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -223.401571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.401571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.401571 (E_RNA)
where:
Base-Base interactions energy: -112.032
where: short stacking energy: -54.227
Base-Backbone interact. energy: 1.635
local terms energy: -113.004411
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -24.457
tors. eta vs tors. theta energy: -7.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -198.166882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.166882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.166882 (E_RNA)
where:
Base-Base interactions energy: -93.807
where: short stacking energy: -59.425
Base-Backbone interact. energy: 1.388
local terms energy: -105.925317
where:
bonds (distance) C4'-P energy: -29.764
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.177 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -579.764183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.764183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.764183 (E_RNA)
where:
Base-Base interactions energy: -391.531
where: short stacking energy: -177.507
Base-Backbone interact. energy: -0.944
local terms energy: -188.153025
where:
bonds (distance) C4'-P energy: -35.987
bonds (distance) P-C4' energy: -35.505
flat angles C4'-P-C4' energy: -35.742
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -56.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.864 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -563.958757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.958757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.958757 (E_RNA)
where:
Base-Base interactions energy: -385.433
where: short stacking energy: -163.430
Base-Backbone interact. energy: -0.504
local terms energy: -178.021627
where:
bonds (distance) C4'-P energy: -35.352
bonds (distance) P-C4' energy: -37.560
flat angles C4'-P-C4' energy: -35.615
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -45.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -540.529279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.529279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.529279 (E_RNA)
where:
Base-Base interactions energy: -363.294
where: short stacking energy: -160.124
Base-Backbone interact. energy: -0.123
local terms energy: -177.879055
where:
bonds (distance) C4'-P energy: -30.823
bonds (distance) P-C4' energy: -32.769
flat angles C4'-P-C4' energy: -33.226
flat angles P-C4'-P energy: -26.914
tors. eta vs tors. theta energy: -54.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.766 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -511.146463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.146463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.146463 (E_RNA)
where:
Base-Base interactions energy: -357.669
where: short stacking energy: -128.159
Base-Backbone interact. energy: -0.494
local terms energy: -152.983244
where:
bonds (distance) C4'-P energy: -31.397
bonds (distance) P-C4' energy: -34.528
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -21.545
tors. eta vs tors. theta energy: -34.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -513.565954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.565954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.565954 (E_RNA)
where:
Base-Base interactions energy: -355.307
where: short stacking energy: -138.766
Base-Backbone interact. energy: -1.009
local terms energy: -157.249358
where:
bonds (distance) C4'-P energy: -33.654
bonds (distance) P-C4' energy: -31.985
flat angles C4'-P-C4' energy: -31.041
flat angles P-C4'-P energy: -21.356
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: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -441.465679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.465679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.465679 (E_RNA)
where:
Base-Base interactions energy: -281.217
where: short stacking energy: -123.761
Base-Backbone interact. energy: -0.801
local terms energy: -159.447323
where:
bonds (distance) C4'-P energy: -32.309
bonds (distance) P-C4' energy: -32.871
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -26.787
tors. eta vs tors. theta energy: -33.684
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: 7
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -434.916761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.916761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.916761 (E_RNA)
where:
Base-Base interactions energy: -300.002
where: short stacking energy: -128.403
Base-Backbone interact. energy: 4.573
local terms energy: -139.488462
where:
bonds (distance) C4'-P energy: -31.531
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -35.881
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -33.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -379.169603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.169603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.169603 (E_RNA)
where:
Base-Base interactions energy: -234.426
where: short stacking energy: -99.416
Base-Backbone interact. energy: 0.472
local terms energy: -145.215337
where:
bonds (distance) C4'-P energy: -29.201
bonds (distance) P-C4' energy: -29.235
flat angles C4'-P-C4' energy: -32.685
flat angles P-C4'-P energy: -23.262
tors. eta vs tors. theta energy: -30.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -148.941560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.941560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.941560 (E_RNA)
where:
Base-Base interactions energy: -44.344
where: short stacking energy: -37.237
Base-Backbone interact. energy: -0.309
local terms energy: -104.288140
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -39.111
flat angles C4'-P-C4' energy: -22.581
flat angles P-C4'-P energy: -23.110
tors. eta vs tors. theta energy: 2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -233.316510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.316510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.316510 (E_RNA)
where:
Base-Base interactions energy: -125.657
where: short stacking energy: -66.006
Base-Backbone interact. energy: -0.663
local terms energy: -106.996874
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -28.459
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -575.938515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.938515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.938515 (E_RNA)
where:
Base-Base interactions energy: -380.185
where: short stacking energy: -176.172
Base-Backbone interact. energy: -0.579
local terms energy: -195.174732
where:
bonds (distance) C4'-P energy: -31.708
bonds (distance) P-C4' energy: -39.798
flat angles C4'-P-C4' energy: -37.583
flat angles P-C4'-P energy: -30.013
tors. eta vs tors. theta energy: -56.073
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: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -557.907653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.907653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.907653 (E_RNA)
where:
Base-Base interactions energy: -375.491
where: short stacking energy: -165.770
Base-Backbone interact. energy: -0.577
local terms energy: -181.840337
where:
bonds (distance) C4'-P energy: -35.823
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -38.013
flat angles P-C4'-P energy: -28.775
tors. eta vs tors. theta energy: -47.599
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: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -554.484525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.484525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.484525 (E_RNA)
where:
Base-Base interactions energy: -384.450
where: short stacking energy: -144.631
Base-Backbone interact. energy: -0.484
local terms energy: -169.551162
where:
bonds (distance) C4'-P energy: -34.634
bonds (distance) P-C4' energy: -31.799
flat angles C4'-P-C4' energy: -38.200
flat angles P-C4'-P energy: -24.325
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: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -527.107714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.107714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.107714 (E_RNA)
where:
Base-Base interactions energy: -355.157
where: short stacking energy: -141.846
Base-Backbone interact. energy: -0.224
local terms energy: -171.818003
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -37.341
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -41.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.091 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -493.959736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.959736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.959736 (E_RNA)
where:
Base-Base interactions energy: -337.174
where: short stacking energy: -145.438
Base-Backbone interact. energy: -1.437
local terms energy: -155.348462
where:
bonds (distance) C4'-P energy: -29.406
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -31.779
flat angles P-C4'-P energy: -21.049
tors. eta vs tors. theta energy: -38.802
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: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -453.222033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.222033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.222033 (E_RNA)
where:
Base-Base interactions energy: -299.996
where: short stacking energy: -139.671
Base-Backbone interact. energy: -0.499
local terms energy: -152.727428
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -34.920
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -19.379
tors. eta vs tors. theta energy: -39.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -459.385942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.385942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.385942 (E_RNA)
where:
Base-Base interactions energy: -322.989
where: short stacking energy: -132.410
Base-Backbone interact. energy: 1.488
local terms energy: -139.511733
where:
bonds (distance) C4'-P energy: -30.223
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -27.542
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -38.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.627 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -396.826423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.826423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.826423 (E_RNA)
where:
Base-Base interactions energy: -250.930
where: short stacking energy: -106.753
Base-Backbone interact. energy: -1.194
local terms energy: -144.703209
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -27.663
flat angles C4'-P-C4' energy: -26.962
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -34.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -160.202039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.202039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.202039 (E_RNA)
where:
Base-Base interactions energy: -60.409
where: short stacking energy: -56.429
Base-Backbone interact. energy: -0.256
local terms energy: -99.537675
where:
bonds (distance) C4'-P energy: -29.758
bonds (distance) P-C4' energy: -29.755
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -209.685690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.685690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.685690 (E_RNA)
where:
Base-Base interactions energy: -118.849
where: short stacking energy: -63.895
Base-Backbone interact. energy: 0.183
local terms energy: -91.020227
where:
bonds (distance) C4'-P energy: -28.900
bonds (distance) P-C4' energy: -34.076
flat angles C4'-P-C4' energy: -29.194
flat angles P-C4'-P energy: 7.556
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -575.335192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.335192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.335192 (E_RNA)
where:
Base-Base interactions energy: -388.140
where: short stacking energy: -174.243
Base-Backbone interact. energy: -0.173
local terms energy: -187.157627
where:
bonds (distance) C4'-P energy: -35.639
bonds (distance) P-C4' energy: -32.350
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -22.844
tors. eta vs tors. theta energy: -57.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.135 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -541.086858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.086858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.086858 (E_RNA)
where:
Base-Base interactions energy: -366.853
where: short stacking energy: -159.886
Base-Backbone interact. energy: -0.101
local terms energy: -174.217727
where:
bonds (distance) C4'-P energy: -30.690
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -36.602
flat angles P-C4'-P energy: -28.656
tors. eta vs tors. theta energy: -52.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.085 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -541.365744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.365744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.365744 (E_RNA)
where:
Base-Base interactions energy: -374.145
where: short stacking energy: -153.770
Base-Backbone interact. energy: -0.371
local terms energy: -166.850406
where:
bonds (distance) C4'-P energy: -29.548
bonds (distance) P-C4' energy: -33.608
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -24.074
tors. eta vs tors. theta energy: -45.798
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: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -538.900666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.900666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.900666 (E_RNA)
where:
Base-Base interactions energy: -366.464
where: short stacking energy: -149.253
Base-Backbone interact. energy: -0.751
local terms energy: -171.685478
where:
bonds (distance) C4'-P energy: -33.399
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -38.645
flat angles P-C4'-P energy: -27.793
tors. eta vs tors. theta energy: -43.168
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: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -470.627611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.627611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.627611 (E_RNA)
where:
Base-Base interactions energy: -313.510
where: short stacking energy: -124.265
Base-Backbone interact. energy: -1.200
local terms energy: -155.917844
where:
bonds (distance) C4'-P energy: -28.168
bonds (distance) P-C4' energy: -34.495
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -27.643
tors. eta vs tors. theta energy: -33.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -435.576590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.576590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.576590 (E_RNA)
where:
Base-Base interactions energy: -278.880
where: short stacking energy: -115.971
Base-Backbone interact. energy: 0.139
local terms energy: -156.835442
where:
bonds (distance) C4'-P energy: -31.286
bonds (distance) P-C4' energy: -32.550
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -27.375
tors. eta vs tors. theta energy: -34.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -406.623944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.623944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.623944 (E_RNA)
where:
Base-Base interactions energy: -251.632
where: short stacking energy: -104.154
Base-Backbone interact. energy: -0.256
local terms energy: -154.736152
where:
bonds (distance) C4'-P energy: -27.097
bonds (distance) P-C4' energy: -40.605
flat angles C4'-P-C4' energy: -38.051
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -388.521723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.521723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.521723 (E_RNA)
where:
Base-Base interactions energy: -255.735
where: short stacking energy: -122.252
Base-Backbone interact. energy: 0.369
local terms energy: -133.156495
where:
bonds (distance) C4'-P energy: -29.227
bonds (distance) P-C4' energy: -30.097
flat angles C4'-P-C4' energy: -30.534
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -26.855
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: 2
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -212.435702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.435702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.435702 (E_RNA)
where:
Base-Base interactions energy: -117.327
where: short stacking energy: -62.725
Base-Backbone interact. energy: 1.294
local terms energy: -96.403512
where:
bonds (distance) C4'-P energy: -30.255
bonds (distance) P-C4' energy: -26.612
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -17.873
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: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -154.731635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.731635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.731635 (E_RNA)
where:
Base-Base interactions energy: -49.110
where: short stacking energy: -39.507
Base-Backbone interact. energy: 0.612
local terms energy: -106.233490
where:
bonds (distance) C4'-P energy: -25.338
bonds (distance) P-C4' energy: -32.791
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -563.928948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.928948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.928948 (E_RNA)
where:
Base-Base interactions energy: -381.971
where: short stacking energy: -172.564
Base-Backbone interact. energy: -0.279
local terms energy: -181.679314
where:
bonds (distance) C4'-P energy: -29.303
bonds (distance) P-C4' energy: -36.209
flat angles C4'-P-C4' energy: -36.694
flat angles P-C4'-P energy: -25.755
tors. eta vs tors. theta energy: -53.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -544.694799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.694799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.694799 (E_RNA)
where:
Base-Base interactions energy: -379.475
where: short stacking energy: -162.963
Base-Backbone interact. energy: 0.043
local terms energy: -165.263118
where:
bonds (distance) C4'-P energy: -33.048
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -34.123
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -49.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -522.184528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.184528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.184528 (E_RNA)
where:
Base-Base interactions energy: -347.070
where: short stacking energy: -145.742
Base-Backbone interact. energy: -0.741
local terms energy: -174.373237
where:
bonds (distance) C4'-P energy: -35.808
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -36.889
flat angles P-C4'-P energy: -27.392
tors. eta vs tors. theta energy: -45.649
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: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -551.056704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.056704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.056704 (E_RNA)
where:
Base-Base interactions energy: -382.337
where: short stacking energy: -168.882
Base-Backbone interact. energy: 1.317
local terms energy: -170.036109
where:
bonds (distance) C4'-P energy: -35.654
bonds (distance) P-C4' energy: -29.089
flat angles C4'-P-C4' energy: -31.189
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -52.074
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: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -480.398552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.398552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.398552 (E_RNA)
where:
Base-Base interactions energy: -326.993
where: short stacking energy: -134.960
Base-Backbone interact. energy: -0.896
local terms energy: -152.509774
where:
bonds (distance) C4'-P energy: -26.891
bonds (distance) P-C4' energy: -36.485
flat angles C4'-P-C4' energy: -33.628
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: -38.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -452.810220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.810220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.810220 (E_RNA)
where:
Base-Base interactions energy: -292.720
where: short stacking energy: -128.943
Base-Backbone interact. energy: 0.409
local terms energy: -160.619772
where:
bonds (distance) C4'-P energy: -35.780
bonds (distance) P-C4' energy: -29.750
flat angles C4'-P-C4' energy: -33.754
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -37.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.121 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -430.716947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.716947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.716947 (E_RNA)
where:
Base-Base interactions energy: -270.293
where: short stacking energy: -122.719
Base-Backbone interact. energy: -0.278
local terms energy: -160.146161
where:
bonds (distance) C4'-P energy: -34.949
bonds (distance) P-C4' energy: -35.053
flat angles C4'-P-C4' energy: -31.081
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -32.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -380.462313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.462313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.462313 (E_RNA)
where:
Base-Base interactions energy: -241.069
where: short stacking energy: -101.404
Base-Backbone interact. energy: -0.820
local terms energy: -138.573155
where:
bonds (distance) C4'-P energy: -33.647
bonds (distance) P-C4' energy: -37.317
flat angles C4'-P-C4' energy: -31.928
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -221.985277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.985277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.985277 (E_RNA)
where:
Base-Base interactions energy: -118.781
where: short stacking energy: -58.569
Base-Backbone interact. energy: -0.174
local terms energy: -103.029899
where:
bonds (distance) C4'-P energy: -28.360
bonds (distance) P-C4' energy: -29.125
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -158.486719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.486719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.486719 (E_RNA)
where:
Base-Base interactions energy: -35.130
where: short stacking energy: -35.534
Base-Backbone interact. energy: -0.577
local terms energy: -122.779835
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -37.515
flat angles C4'-P-C4' energy: -35.970
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: 1.076
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: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -566.116103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.116103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.116103 (E_RNA)
where:
Base-Base interactions energy: -393.261
where: short stacking energy: -162.711
Base-Backbone interact. energy: -1.066
local terms energy: -172.094286
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -35.266
flat angles C4'-P-C4' energy: -34.629
flat angles P-C4'-P energy: -22.610
tors. eta vs tors. theta energy: -49.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.305 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -553.556900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.556900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.556900 (E_RNA)
where:
Base-Base interactions energy: -382.760
where: short stacking energy: -159.905
Base-Backbone interact. energy: -0.372
local terms energy: -170.424172
where:
bonds (distance) C4'-P energy: -33.585
bonds (distance) P-C4' energy: -34.383
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -44.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -551.083965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.083965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.083965 (E_RNA)
where:
Base-Base interactions energy: -377.744
where: short stacking energy: -148.252
Base-Backbone interact. energy: -0.109
local terms energy: -174.879714
where:
bonds (distance) C4'-P energy: -32.014
bonds (distance) P-C4' energy: -30.980
flat angles C4'-P-C4' energy: -38.917
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -44.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.649 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -512.129601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.129601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.129601 (E_RNA)
where:
Base-Base interactions energy: -339.858
where: short stacking energy: -148.770
Base-Backbone interact. energy: -0.280
local terms energy: -171.992107
where:
bonds (distance) C4'-P energy: -34.979
bonds (distance) P-C4' energy: -33.250
flat angles C4'-P-C4' energy: -32.847
flat angles P-C4'-P energy: -24.287
tors. eta vs tors. theta energy: -46.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -470.354443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.354443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.354443 (E_RNA)
where:
Base-Base interactions energy: -314.807
where: short stacking energy: -131.222
Base-Backbone interact. energy: -0.904
local terms energy: -156.820172
where:
bonds (distance) C4'-P energy: -27.030
bonds (distance) P-C4' energy: -34.585
flat angles C4'-P-C4' energy: -30.699
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -42.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.177 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -475.333482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.333482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.333482 (E_RNA)
where:
Base-Base interactions energy: -337.695
where: short stacking energy: -132.009
Base-Backbone interact. energy: -0.761
local terms energy: -136.876632
where:
bonds (distance) C4'-P energy: -25.827
bonds (distance) P-C4' energy: -22.366
flat angles C4'-P-C4' energy: -33.786
flat angles P-C4'-P energy: -15.603
tors. eta vs tors. theta energy: -39.295
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: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -402.678404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.678404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.678404 (E_RNA)
where:
Base-Base interactions energy: -259.506
where: short stacking energy: -112.934
Base-Backbone interact. energy: -0.802
local terms energy: -142.370425
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -30.222
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -22.921
tors. eta vs tors. theta energy: -30.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -412.678804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.678804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.678804 (E_RNA)
where:
Base-Base interactions energy: -276.520
where: short stacking energy: -117.137
Base-Backbone interact. energy: -0.260
local terms energy: -136.546581
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -30.244
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -30.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.649 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -163.341051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.341051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.341051 (E_RNA)
where:
Base-Base interactions energy: -63.536
where: short stacking energy: -46.027
Base-Backbone interact. energy: -0.388
local terms energy: -99.416953
where:
bonds (distance) C4'-P energy: -27.924
bonds (distance) P-C4' energy: -33.806
flat angles C4'-P-C4' energy: -23.882
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -222.168691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.168691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.168691 (E_RNA)
where:
Base-Base interactions energy: -129.299
where: short stacking energy: -55.625
Base-Backbone interact. energy: -0.652
local terms energy: -92.217272
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -26.172
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -562.533186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.533186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.533186 (E_RNA)
where:
Base-Base interactions energy: -397.851
where: short stacking energy: -171.275
Base-Backbone interact. energy: -0.654
local terms energy: -164.028566
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -33.136
flat angles C4'-P-C4' energy: -38.268
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -47.124
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: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -548.513725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.513725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.513725 (E_RNA)
where:
Base-Base interactions energy: -373.714
where: short stacking energy: -161.011
Base-Backbone interact. energy: -0.097
local terms energy: -174.702165
where:
bonds (distance) C4'-P energy: -32.804
bonds (distance) P-C4' energy: -33.481
flat angles C4'-P-C4' energy: -36.424
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -53.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -546.827742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.827742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.827742 (E_RNA)
where:
Base-Base interactions energy: -371.750
where: short stacking energy: -159.680
Base-Backbone interact. energy: -1.683
local terms energy: -173.394673
where:
bonds (distance) C4'-P energy: -31.420
bonds (distance) P-C4' energy: -34.230
flat angles C4'-P-C4' energy: -37.130
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -48.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -462.319103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.319103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.319103 (E_RNA)
where:
Base-Base interactions energy: -301.916
where: short stacking energy: -153.671
Base-Backbone interact. energy: -1.140
local terms energy: -161.008413
where:
bonds (distance) C4'-P energy: -31.820
bonds (distance) P-C4' energy: -31.178
flat angles C4'-P-C4' energy: -37.944
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -39.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.745 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -486.387736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.387736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.387736 (E_RNA)
where:
Base-Base interactions energy: -326.217
where: short stacking energy: -140.744
Base-Backbone interact. energy: 0.262
local terms energy: -162.028765
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -34.467
flat angles C4'-P-C4' energy: -31.426
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -45.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.596 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -440.113766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.113766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.113766 (E_RNA)
where:
Base-Base interactions energy: -292.641
where: short stacking energy: -127.289
Base-Backbone interact. energy: -0.491
local terms energy: -147.564845
where:
bonds (distance) C4'-P energy: -27.568
bonds (distance) P-C4' energy: -38.543
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -33.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.583 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -438.173593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.173593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.173593 (E_RNA)
where:
Base-Base interactions energy: -275.001
where: short stacking energy: -125.920
Base-Backbone interact. energy: -0.523
local terms energy: -162.648929
where:
bonds (distance) C4'-P energy: -30.297
bonds (distance) P-C4' energy: -32.758
flat angles C4'-P-C4' energy: -36.498
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -38.321
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: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -404.994759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.994759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.994759 (E_RNA)
where:
Base-Base interactions energy: -266.214
where: short stacking energy: -123.392
Base-Backbone interact. energy: -0.302
local terms energy: -138.478269
where:
bonds (distance) C4'-P energy: -28.500
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -27.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -145.178971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.178971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.178971 (E_RNA)
where:
Base-Base interactions energy: -52.042
where: short stacking energy: -46.495
Base-Backbone interact. energy: 0.363
local terms energy: -93.499862
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -25.123
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: 2.540
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: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -197.485386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.485386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.485386 (E_RNA)
where:
Base-Base interactions energy: -98.547
where: short stacking energy: -54.404
Base-Backbone interact. energy: 0.812
local terms energy: -99.750001
where:
bonds (distance) C4'-P energy: -21.488
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -556.393336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.393336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.393336 (E_RNA)
where:
Base-Base interactions energy: -378.384
where: short stacking energy: -158.847
Base-Backbone interact. energy: 0.967
local terms energy: -178.976159
where:
bonds (distance) C4'-P energy: -35.701
bonds (distance) P-C4' energy: -32.955
flat angles C4'-P-C4' energy: -35.949
flat angles P-C4'-P energy: -28.712
tors. eta vs tors. theta energy: -45.660
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: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -556.342217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.342217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.342217 (E_RNA)
where:
Base-Base interactions energy: -372.840
where: short stacking energy: -165.846
Base-Backbone interact. energy: 0.285
local terms energy: -184.061182
where:
bonds (distance) C4'-P energy: -37.234
bonds (distance) P-C4' energy: -37.106
flat angles C4'-P-C4' energy: -36.176
flat angles P-C4'-P energy: -23.617
tors. eta vs tors. theta energy: -49.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.274 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -560.255184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.255184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.255184 (E_RNA)
where:
Base-Base interactions energy: -389.449
where: short stacking energy: -162.828
Base-Backbone interact. energy: -0.524
local terms energy: -170.282043
where:
bonds (distance) C4'-P energy: -31.926
bonds (distance) P-C4' energy: -32.823
flat angles C4'-P-C4' energy: -37.881
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -46.013
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: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -467.401403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.401403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.401403 (E_RNA)
where:
Base-Base interactions energy: -310.487
where: short stacking energy: -130.662
Base-Backbone interact. energy: -0.708
local terms energy: -156.481606
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -37.244
flat angles C4'-P-C4' energy: -28.834
flat angles P-C4'-P energy: -20.037
tors. eta vs tors. theta energy: -38.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.276 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -513.710378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.710378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.710378 (E_RNA)
where:
Base-Base interactions energy: -349.322
where: short stacking energy: -143.880
Base-Backbone interact. energy: -0.636
local terms energy: -163.752586
where:
bonds (distance) C4'-P energy: -29.446
bonds (distance) P-C4' energy: -33.768
flat angles C4'-P-C4' energy: -33.169
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -46.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -459.310429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.310429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.310429 (E_RNA)
where:
Base-Base interactions energy: -303.055
where: short stacking energy: -121.806
Base-Backbone interact. energy: 0.186
local terms energy: -156.441226
where:
bonds (distance) C4'-P energy: -31.302
bonds (distance) P-C4' energy: -37.617
flat angles C4'-P-C4' energy: -31.667
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -33.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -424.733856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.733856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.733856 (E_RNA)
where:
Base-Base interactions energy: -282.974
where: short stacking energy: -127.217
Base-Backbone interact. energy: -0.130
local terms energy: -141.630144
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -34.237
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -40.287
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: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -401.299489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.299489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.299489 (E_RNA)
where:
Base-Base interactions energy: -262.944
where: short stacking energy: -113.695
Base-Backbone interact. energy: -0.276
local terms energy: -138.078834
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -36.967
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -32.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -155.707037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.707037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.707037 (E_RNA)
where:
Base-Base interactions energy: -58.575
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.638
local terms energy: -96.493748
where:
bonds (distance) C4'-P energy: -28.765
bonds (distance) P-C4' energy: -28.260
flat angles C4'-P-C4' energy: -29.297
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: 0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -157.526873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.526873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.526873 (E_RNA)
where:
Base-Base interactions energy: -59.035
where: short stacking energy: -38.190
Base-Backbone interact. energy: -0.040
local terms energy: -99.223711
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -25.501
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: 4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.772 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -562.883974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.883974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.883974 (E_RNA)
where:
Base-Base interactions energy: -384.327
where: short stacking energy: -158.624
Base-Backbone interact. energy: -0.154
local terms energy: -178.403092
where:
bonds (distance) C4'-P energy: -27.451
bonds (distance) P-C4' energy: -34.925
flat angles C4'-P-C4' energy: -40.479
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: -49.889
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: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -581.472927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.472927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.472927 (E_RNA)
where:
Base-Base interactions energy: -400.876
where: short stacking energy: -176.891
Base-Backbone interact. energy: 2.320
local terms energy: -183.247512
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -32.601
flat angles C4'-P-C4' energy: -35.664
flat angles P-C4'-P energy: -32.044
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: 0.331 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -539.382456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.382456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.382456 (E_RNA)
where:
Base-Base interactions energy: -374.100
where: short stacking energy: -161.440
Base-Backbone interact. energy: -1.601
local terms energy: -163.681445
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -33.347
flat angles C4'-P-C4' energy: -33.570
flat angles P-C4'-P energy: -19.862
tors. eta vs tors. theta energy: -45.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -505.860733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.860733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.860733 (E_RNA)
where:
Base-Base interactions energy: -359.371
where: short stacking energy: -141.700
Base-Backbone interact. energy: -0.605
local terms energy: -148.318736
where:
bonds (distance) C4'-P energy: -25.582
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -31.892
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -46.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.433 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -477.023115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.023115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.023115 (E_RNA)
where:
Base-Base interactions energy: -325.628
where: short stacking energy: -154.158
Base-Backbone interact. energy: -0.134
local terms energy: -151.261150
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -27.835
flat angles C4'-P-C4' energy: -37.344
flat angles P-C4'-P energy: -24.366
tors. eta vs tors. theta energy: -38.370
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: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -433.052994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.052994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.052994 (E_RNA)
where:
Base-Base interactions energy: -296.696
where: short stacking energy: -122.205
Base-Backbone interact. energy: -0.517
local terms energy: -135.839913
where:
bonds (distance) C4'-P energy: -31.475
bonds (distance) P-C4' energy: -34.884
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -24.916
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: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -430.392277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.392277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.392277 (E_RNA)
where:
Base-Base interactions energy: -285.670
where: short stacking energy: -133.940
Base-Backbone interact. energy: -0.320
local terms energy: -144.402301
where:
bonds (distance) C4'-P energy: -23.466
bonds (distance) P-C4' energy: -29.455
flat angles C4'-P-C4' energy: -32.454
flat angles P-C4'-P energy: -22.480
tors. eta vs tors. theta energy: -36.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -405.464291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.464291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.464291 (E_RNA)
where:
Base-Base interactions energy: -281.743
where: short stacking energy: -114.167
Base-Backbone interact. energy: 1.686
local terms energy: -125.407620
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -31.945
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -32.837
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: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -163.831984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.831984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.831984 (E_RNA)
where:
Base-Base interactions energy: -75.677
where: short stacking energy: -46.716
Base-Backbone interact. energy: -0.310
local terms energy: -87.845025
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -30.311
flat angles C4'-P-C4' energy: -29.382
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: 6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -162.247560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.247560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.247560 (E_RNA)
where:
Base-Base interactions energy: -55.047
where: short stacking energy: -33.686
Base-Backbone interact. energy: -1.096
local terms energy: -106.104419
where:
bonds (distance) C4'-P energy: -19.834
bonds (distance) P-C4' energy: -33.463
flat angles C4'-P-C4' energy: -28.467
flat angles P-C4'-P energy: -24.101
tors. eta vs tors. theta energy: -0.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -580.803278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.803278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.803278 (E_RNA)
where:
Base-Base interactions energy: -393.972
where: short stacking energy: -191.244
Base-Backbone interact. energy: -0.101
local terms energy: -187.606575
where:
bonds (distance) C4'-P energy: -30.347
bonds (distance) P-C4' energy: -36.384
flat angles C4'-P-C4' energy: -38.073
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -57.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.877 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -547.005213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.005213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.005213 (E_RNA)
where:
Base-Base interactions energy: -376.158
where: short stacking energy: -156.393
Base-Backbone interact. energy: -0.465
local terms energy: -170.381569
where:
bonds (distance) C4'-P energy: -29.770
bonds (distance) P-C4' energy: -32.928
flat angles C4'-P-C4' energy: -37.247
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -50.868
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: 430
Temperature: 1.000000
Total energy: -528.248205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.248205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.248205 (E_RNA)
where:
Base-Base interactions energy: -368.081
where: short stacking energy: -154.538
Base-Backbone interact. energy: -0.833
local terms energy: -159.333487
where:
bonds (distance) C4'-P energy: -34.023
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -22.221
tors. eta vs tors. theta energy: -44.614
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: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -491.291218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.291218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.291218 (E_RNA)
where:
Base-Base interactions energy: -326.366
where: short stacking energy: -132.164
Base-Backbone interact. energy: -0.322
local terms energy: -165.796443
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -36.468
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -21.614
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: 1.193 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -454.186223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.186223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.186223 (E_RNA)
where:
Base-Base interactions energy: -300.922
where: short stacking energy: -126.539
Base-Backbone interact. energy: -1.224
local terms energy: -152.041055
where:
bonds (distance) C4'-P energy: -32.648
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -35.491
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -34.604
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: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -470.268919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.268919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.268919 (E_RNA)
where:
Base-Base interactions energy: -312.040
where: short stacking energy: -126.215
Base-Backbone interact. energy: -0.380
local terms energy: -158.088492
where:
bonds (distance) C4'-P energy: -31.866
bonds (distance) P-C4' energy: -34.155
flat angles C4'-P-C4' energy: -28.888
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -39.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.239 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -408.279721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.279721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.279721 (E_RNA)
where:
Base-Base interactions energy: -272.723
where: short stacking energy: -122.286
Base-Backbone interact. energy: -0.418
local terms energy: -135.138924
where:
bonds (distance) C4'-P energy: -26.228
bonds (distance) P-C4' energy: -32.470
flat angles C4'-P-C4' energy: -25.868
flat angles P-C4'-P energy: -18.996
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: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -404.147599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.147599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.147599 (E_RNA)
where:
Base-Base interactions energy: -268.589
where: short stacking energy: -131.160
Base-Backbone interact. energy: -0.394
local terms energy: -135.164910
where:
bonds (distance) C4'-P energy: -26.074
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -35.991
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: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -173.907710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.907710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.907710 (E_RNA)
where:
Base-Base interactions energy: -71.607
where: short stacking energy: -67.016
Base-Backbone interact. energy: 0.469
local terms energy: -102.768927
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -29.974
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -7.863
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: 2
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -157.313846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.313846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.313846 (E_RNA)
where:
Base-Base interactions energy: -53.072
where: short stacking energy: -47.796
Base-Backbone interact. energy: -0.389
local terms energy: -103.852390
where:
bonds (distance) C4'-P energy: -30.184
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -18.683
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -592.091499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.091499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.091499 (E_RNA)
where:
Base-Base interactions energy: -408.309
where: short stacking energy: -184.284
Base-Backbone interact. energy: -0.577
local terms energy: -183.481651
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -33.631
flat angles C4'-P-C4' energy: -40.387
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: -58.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.276 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -560.422584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.422584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.422584 (E_RNA)
where:
Base-Base interactions energy: -385.789
where: short stacking energy: -164.506
Base-Backbone interact. energy: -0.091
local terms energy: -175.275768
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -32.300
flat angles C4'-P-C4' energy: -37.810
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -47.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.734 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -546.208572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.208572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.208572 (E_RNA)
where:
Base-Base interactions energy: -372.969
where: short stacking energy: -153.202
Base-Backbone interact. energy: -0.252
local terms energy: -172.987711
where:
bonds (distance) C4'-P energy: -38.597
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -38.712
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -47.945
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: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -510.327535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.327535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.327535 (E_RNA)
where:
Base-Base interactions energy: -350.511
where: short stacking energy: -142.280
Base-Backbone interact. energy: -0.350
local terms energy: -159.466856
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -37.981
flat angles C4'-P-C4' energy: -33.650
flat angles P-C4'-P energy: -21.319
tors. eta vs tors. theta energy: -41.777
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: 431
Temperature: 1.100000
Total energy: -450.628908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.628908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.628908 (E_RNA)
where:
Base-Base interactions energy: -300.038
where: short stacking energy: -125.325
Base-Backbone interact. energy: -0.627
local terms energy: -149.963647
where:
bonds (distance) C4'-P energy: -36.657
bonds (distance) P-C4' energy: -28.673
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -25.625
tors. eta vs tors. theta energy: -30.693
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: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -412.982370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.982370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.982370 (E_RNA)
where:
Base-Base interactions energy: -272.799
where: short stacking energy: -106.353
Base-Backbone interact. energy: -1.497
local terms energy: -138.686127
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -33.990
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -26.858
tors. eta vs tors. theta energy: -25.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -407.365754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.365754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.365754 (E_RNA)
where:
Base-Base interactions energy: -272.754
where: short stacking energy: -133.094
Base-Backbone interact. energy: 0.667
local terms energy: -135.279332
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -18.488
tors. eta vs tors. theta energy: -39.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -406.176847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.176847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.176847 (E_RNA)
where:
Base-Base interactions energy: -266.809
where: short stacking energy: -116.273
Base-Backbone interact. energy: -0.511
local terms energy: -138.857202
where:
bonds (distance) C4'-P energy: -30.074
bonds (distance) P-C4' energy: -26.818
flat angles C4'-P-C4' energy: -32.419
flat angles P-C4'-P energy: -21.662
tors. eta vs tors. theta energy: -27.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -169.583335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.583335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.583335 (E_RNA)
where:
Base-Base interactions energy: -64.655
where: short stacking energy: -54.727
Base-Backbone interact. energy: 1.664
local terms energy: -106.592990
where:
bonds (distance) C4'-P energy: -33.824
bonds (distance) P-C4' energy: -27.979
flat angles C4'-P-C4' energy: -30.828
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -141.422662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.422662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.422662 (E_RNA)
where:
Base-Base interactions energy: -46.307
where: short stacking energy: -39.786
Base-Backbone interact. energy: -0.626
local terms energy: -94.489652
where:
bonds (distance) C4'-P energy: -34.459
bonds (distance) P-C4' energy: -29.800
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -1.800
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: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -588.029120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.029120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.029120 (E_RNA)
where:
Base-Base interactions energy: -402.440
where: short stacking energy: -180.967
Base-Backbone interact. energy: -1.347
local terms energy: -184.241429
where:
bonds (distance) C4'-P energy: -27.601
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -39.166
flat angles P-C4'-P energy: -27.980
tors. eta vs tors. theta energy: -56.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -546.761907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.761907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.761907 (E_RNA)
where:
Base-Base interactions energy: -376.416
where: short stacking energy: -153.888
Base-Backbone interact. energy: 1.600
local terms energy: -172.206946
where:
bonds (distance) C4'-P energy: -34.529
bonds (distance) P-C4' energy: -31.185
flat angles C4'-P-C4' energy: -32.090
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -48.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.261 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -519.365746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.365746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.365746 (E_RNA)
where:
Base-Base interactions energy: -347.929
where: short stacking energy: -148.199
Base-Backbone interact. energy: -0.809
local terms energy: -170.628330
where:
bonds (distance) C4'-P energy: -32.341
bonds (distance) P-C4' energy: -34.311
flat angles C4'-P-C4' energy: -38.600
flat angles P-C4'-P energy: -25.881
tors. eta vs tors. theta energy: -39.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -522.462869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.462869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.462869 (E_RNA)
where:
Base-Base interactions energy: -352.918
where: short stacking energy: -147.612
Base-Backbone interact. energy: -0.207
local terms energy: -169.338005
where:
bonds (distance) C4'-P energy: -30.991
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -36.978
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -45.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -454.520262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.520262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.520262 (E_RNA)
where:
Base-Base interactions energy: -300.034
where: short stacking energy: -136.105
Base-Backbone interact. energy: -0.899
local terms energy: -153.586338
where:
bonds (distance) C4'-P energy: -28.382
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -30.529
flat angles P-C4'-P energy: -23.451
tors. eta vs tors. theta energy: -37.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -425.094868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.094868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.094868 (E_RNA)
where:
Base-Base interactions energy: -276.280
where: short stacking energy: -133.547
Base-Backbone interact. energy: -0.467
local terms energy: -148.347720
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -32.254
flat angles C4'-P-C4' energy: -29.862
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: -32.009
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: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -424.283712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.283712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.283712 (E_RNA)
where:
Base-Base interactions energy: -278.319
where: short stacking energy: -127.898
Base-Backbone interact. energy: -1.033
local terms energy: -144.931818
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -34.283
flat angles P-C4'-P energy: -28.225
tors. eta vs tors. theta energy: -35.434
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: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -412.565452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.565452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.565452 (E_RNA)
where:
Base-Base interactions energy: -277.931
where: short stacking energy: -103.681
Base-Backbone interact. energy: -0.030
local terms energy: -134.604619
where:
bonds (distance) C4'-P energy: -30.045
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -24.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -160.169142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.169142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.169142 (E_RNA)
where:
Base-Base interactions energy: -63.246
where: short stacking energy: -42.504
Base-Backbone interact. energy: -1.122
local terms energy: -95.801191
where:
bonds (distance) C4'-P energy: -23.833
bonds (distance) P-C4' energy: -37.756
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -153.526179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.526179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.526179 (E_RNA)
where:
Base-Base interactions energy: -72.017
where: short stacking energy: -47.751
Base-Backbone interact. energy: 1.967
local terms energy: -84.204507
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -4.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.728 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -602.550373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.550373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.550373 (E_RNA)
where:
Base-Base interactions energy: -413.319
where: short stacking energy: -183.920
Base-Backbone interact. energy: -1.235
local terms energy: -189.331872
where:
bonds (distance) C4'-P energy: -33.356
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -36.553
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -54.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.336 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -545.684771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.684771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.684771 (E_RNA)
where:
Base-Base interactions energy: -378.742
where: short stacking energy: -157.868
Base-Backbone interact. energy: -0.749
local terms energy: -166.193444
where:
bonds (distance) C4'-P energy: -33.113
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -36.548
flat angles P-C4'-P energy: -25.722
tors. eta vs tors. theta energy: -44.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -509.129749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.129749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.129749 (E_RNA)
where:
Base-Base interactions energy: -347.176
where: short stacking energy: -143.668
Base-Backbone interact. energy: -0.146
local terms energy: -163.113839
where:
bonds (distance) C4'-P energy: -29.046
bonds (distance) P-C4' energy: -40.170
flat angles C4'-P-C4' energy: -29.937
flat angles P-C4'-P energy: -21.962
tors. eta vs tors. theta energy: -41.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.306 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -517.953770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.953770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.953770 (E_RNA)
where:
Base-Base interactions energy: -361.373
where: short stacking energy: -151.436
Base-Backbone interact. energy: -0.220
local terms energy: -156.360628
where:
bonds (distance) C4'-P energy: -33.041
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -49.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -459.884034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.884034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.884034 (E_RNA)
where:
Base-Base interactions energy: -314.648
where: short stacking energy: -126.215
Base-Backbone interact. energy: -0.693
local terms energy: -145.877838
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -36.772
flat angles C4'-P-C4' energy: -26.423
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -33.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.335 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -428.535564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.535564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.535564 (E_RNA)
where:
Base-Base interactions energy: -279.137
where: short stacking energy: -120.963
Base-Backbone interact. energy: -0.506
local terms energy: -148.892199
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -38.579
flat angles P-C4'-P energy: -26.885
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -399.010360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.010360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.010360 (E_RNA)
where:
Base-Base interactions energy: -256.244
where: short stacking energy: -102.181
Base-Backbone interact. energy: -0.026
local terms energy: -142.740416
where:
bonds (distance) C4'-P energy: -31.232
bonds (distance) P-C4' energy: -32.727
flat angles C4'-P-C4' energy: -24.651
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -28.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -401.659362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.659362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.659362 (E_RNA)
where:
Base-Base interactions energy: -266.722
where: short stacking energy: -119.853
Base-Backbone interact. energy: -0.182
local terms energy: -134.754827
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -30.672
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -32.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -175.481596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.481596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.481596 (E_RNA)
where:
Base-Base interactions energy: -79.010
where: short stacking energy: -36.060
Base-Backbone interact. energy: -0.355
local terms energy: -96.116689
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: 4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -190.795897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.795897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.795897 (E_RNA)
where:
Base-Base interactions energy: -89.296
where: short stacking energy: -41.787
Base-Backbone interact. energy: -1.234
local terms energy: -100.500873
where:
bonds (distance) C4'-P energy: -34.573
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -23.729
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: 0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.235 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -569.491932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.491932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.491932 (E_RNA)
where:
Base-Base interactions energy: -380.554
where: short stacking energy: -165.981
Base-Backbone interact. energy: -0.236
local terms energy: -188.701129
where:
bonds (distance) C4'-P energy: -33.012
bonds (distance) P-C4' energy: -40.115
flat angles C4'-P-C4' energy: -40.888
flat angles P-C4'-P energy: -27.617
tors. eta vs tors. theta energy: -47.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -586.140922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.140922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.140922 (E_RNA)
where:
Base-Base interactions energy: -398.745
where: short stacking energy: -168.728
Base-Backbone interact. energy: 0.257
local terms energy: -188.187364
where:
bonds (distance) C4'-P energy: -35.232
bonds (distance) P-C4' energy: -35.285
flat angles C4'-P-C4' energy: -39.552
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -55.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.535 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -541.426405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.426405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.426405 (E_RNA)
where:
Base-Base interactions energy: -361.870
where: short stacking energy: -162.245
Base-Backbone interact. energy: -0.274
local terms energy: -179.282411
where:
bonds (distance) C4'-P energy: -32.197
bonds (distance) P-C4' energy: -35.689
flat angles C4'-P-C4' energy: -37.447
flat angles P-C4'-P energy: -28.684
tors. eta vs tors. theta energy: -45.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -501.099330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.099330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.099330 (E_RNA)
where:
Base-Base interactions energy: -338.898
where: short stacking energy: -132.894
Base-Backbone interact. energy: -0.196
local terms energy: -162.005615
where:
bonds (distance) C4'-P energy: -37.322
bonds (distance) P-C4' energy: -32.551
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -20.490
tors. eta vs tors. theta energy: -39.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -473.409825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.409825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.409825 (E_RNA)
where:
Base-Base interactions energy: -309.597
where: short stacking energy: -131.924
Base-Backbone interact. energy: -0.700
local terms energy: -163.241479
where:
bonds (distance) C4'-P energy: -36.005
bonds (distance) P-C4' energy: -28.957
flat angles C4'-P-C4' energy: -36.899
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: -35.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.128 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -417.428015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.428015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.428015 (E_RNA)
where:
Base-Base interactions energy: -274.030
where: short stacking energy: -111.872
Base-Backbone interact. energy: -0.191
local terms energy: -143.207168
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -34.316
flat angles C4'-P-C4' energy: -31.656
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: -27.239
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: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -398.093477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.093477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.093477 (E_RNA)
where:
Base-Base interactions energy: -265.601
where: short stacking energy: -111.181
Base-Backbone interact. energy: -0.215
local terms energy: -132.685309
where:
bonds (distance) C4'-P energy: -31.019
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -28.644
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.407 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -396.867220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.867220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.867220 (E_RNA)
where:
Base-Base interactions energy: -258.511
where: short stacking energy: -114.115
Base-Backbone interact. energy: -0.791
local terms energy: -137.565203
where:
bonds (distance) C4'-P energy: -27.886
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -32.888
flat angles P-C4'-P energy: -19.901
tors. eta vs tors. theta energy: -25.525
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: 6
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -176.157917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.157917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.157917 (E_RNA)
where:
Base-Base interactions energy: -63.242
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.475
local terms energy: -112.440691
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -8.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -142.593110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.593110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.593110 (E_RNA)
where:
Base-Base interactions energy: -45.639
where: short stacking energy: -36.667
Base-Backbone interact. energy: 0.736
local terms energy: -97.689238
where:
bonds (distance) C4'-P energy: -29.490
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: 4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -547.493450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.493450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.493450 (E_RNA)
where:
Base-Base interactions energy: -372.236
where: short stacking energy: -152.847
Base-Backbone interact. energy: -0.391
local terms energy: -174.867011
where:
bonds (distance) C4'-P energy: -36.402
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -36.125
flat angles P-C4'-P energy: -22.897
tors. eta vs tors. theta energy: -46.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -548.579574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.579574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.579574 (E_RNA)
where:
Base-Base interactions energy: -368.355
where: short stacking energy: -156.153
Base-Backbone interact. energy: 1.109
local terms energy: -181.333774
where:
bonds (distance) C4'-P energy: -30.889
bonds (distance) P-C4' energy: -31.935
flat angles C4'-P-C4' energy: -34.200
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -52.458
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: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -561.841402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.841402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.841402 (E_RNA)
where:
Base-Base interactions energy: -387.061
where: short stacking energy: -172.501
Base-Backbone interact. energy: -0.976
local terms energy: -175.220195
where:
bonds (distance) C4'-P energy: -32.131
bonds (distance) P-C4' energy: -29.933
flat angles C4'-P-C4' energy: -36.422
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -55.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.416 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -533.142929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.142929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.142929 (E_RNA)
where:
Base-Base interactions energy: -371.402
where: short stacking energy: -141.149
Base-Backbone interact. energy: 0.529
local terms energy: -162.270009
where:
bonds (distance) C4'-P energy: -36.678
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -43.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -461.308074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.308074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.308074 (E_RNA)
where:
Base-Base interactions energy: -294.571
where: short stacking energy: -131.639
Base-Backbone interact. energy: 0.266
local terms energy: -167.002714
where:
bonds (distance) C4'-P energy: -37.919
bonds (distance) P-C4' energy: -31.751
flat angles C4'-P-C4' energy: -35.635
flat angles P-C4'-P energy: -24.538
tors. eta vs tors. theta energy: -37.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -420.787169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.787169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.787169 (E_RNA)
where:
Base-Base interactions energy: -275.456
where: short stacking energy: -122.708
Base-Backbone interact. energy: -0.316
local terms energy: -145.015431
where:
bonds (distance) C4'-P energy: -31.952
bonds (distance) P-C4' energy: -37.058
flat angles C4'-P-C4' energy: -30.430
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -420.303548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.303548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.303548 (E_RNA)
where:
Base-Base interactions energy: -276.219
where: short stacking energy: -115.991
Base-Backbone interact. energy: 1.254
local terms energy: -145.338612
where:
bonds (distance) C4'-P energy: -33.362
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -33.263
flat angles P-C4'-P energy: -16.871
tors. eta vs tors. theta energy: -27.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -365.316622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.316622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.316622 (E_RNA)
where:
Base-Base interactions energy: -223.944
where: short stacking energy: -97.336
Base-Backbone interact. energy: 1.854
local terms energy: -143.226785
where:
bonds (distance) C4'-P energy: -33.178
bonds (distance) P-C4' energy: -30.028
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -29.355
tors. eta vs tors. theta energy: -23.603
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: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -154.591812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.591812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.591812 (E_RNA)
where:
Base-Base interactions energy: -63.226
where: short stacking energy: -38.007
Base-Backbone interact. energy: -0.664
local terms energy: -90.702088
where:
bonds (distance) C4'-P energy: -32.421
bonds (distance) P-C4' energy: -30.398
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -17.204
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -143.345131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.345131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.345131 (E_RNA)
where:
Base-Base interactions energy: -58.676
where: short stacking energy: -41.835
Base-Backbone interact. energy: 4.237
local terms energy: -88.905643
where:
bonds (distance) C4'-P energy: -25.060
bonds (distance) P-C4' energy: -31.052
flat angles C4'-P-C4' energy: -27.915
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: 4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -576.218648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.218648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.218648 (E_RNA)
where:
Base-Base interactions energy: -399.440
where: short stacking energy: -172.714
Base-Backbone interact. energy: -0.063
local terms energy: -178.083289
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -35.468
flat angles C4'-P-C4' energy: -35.679
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -53.357
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: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -540.940465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.940465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.940465 (E_RNA)
where:
Base-Base interactions energy: -361.281
where: short stacking energy: -149.527
Base-Backbone interact. energy: -0.542
local terms energy: -179.117046
where:
bonds (distance) C4'-P energy: -34.431
bonds (distance) P-C4' energy: -35.935
flat angles C4'-P-C4' energy: -36.275
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -48.029
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: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -551.214264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.214264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.214264 (E_RNA)
where:
Base-Base interactions energy: -382.576
where: short stacking energy: -162.065
Base-Backbone interact. energy: -0.107
local terms energy: -168.530778
where:
bonds (distance) C4'-P energy: -29.396
bonds (distance) P-C4' energy: -33.021
flat angles C4'-P-C4' energy: -32.109
flat angles P-C4'-P energy: -25.417
tors. eta vs tors. theta energy: -48.588
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: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -550.194237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.194237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.194237 (E_RNA)
where:
Base-Base interactions energy: -375.700
where: short stacking energy: -157.392
Base-Backbone interact. energy: -0.597
local terms energy: -173.898189
where:
bonds (distance) C4'-P energy: -32.767
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -56.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -425.822557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.822557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.822557 (E_RNA)
where:
Base-Base interactions energy: -279.836
where: short stacking energy: -123.039
Base-Backbone interact. energy: -0.895
local terms energy: -145.091169
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -32.442
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -26.317
tors. eta vs tors. theta energy: -35.372
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: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -486.462206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.462206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.462206 (E_RNA)
where:
Base-Base interactions energy: -324.704
where: short stacking energy: -135.182
Base-Backbone interact. energy: -0.510
local terms energy: -161.248744
where:
bonds (distance) C4'-P energy: -29.834
bonds (distance) P-C4' energy: -29.905
flat angles C4'-P-C4' energy: -32.608
flat angles P-C4'-P energy: -25.212
tors. eta vs tors. theta energy: -43.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -405.604893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.604893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.604893 (E_RNA)
where:
Base-Base interactions energy: -278.771
where: short stacking energy: -122.614
Base-Backbone interact. energy: -0.200
local terms energy: -126.633570
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -29.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -394.940990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.940990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.940990 (E_RNA)
where:
Base-Base interactions energy: -269.140
where: short stacking energy: -113.451
Base-Backbone interact. energy: -0.377
local terms energy: -125.423977
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -32.497
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -28.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -168.480793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.480793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.480793 (E_RNA)
where:
Base-Base interactions energy: -66.443
where: short stacking energy: -56.722
Base-Backbone interact. energy: 2.138
local terms energy: -104.175822
where:
bonds (distance) C4'-P energy: -27.862
bonds (distance) P-C4' energy: -35.698
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -148.231567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.231567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.231567 (E_RNA)
where:
Base-Base interactions energy: -43.996
where: short stacking energy: -39.278
Base-Backbone interact. energy: 1.128
local terms energy: -105.363497
where:
bonds (distance) C4'-P energy: -38.925
bonds (distance) P-C4' energy: -29.386
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: 1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -573.179898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.179898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.179898 (E_RNA)
where:
Base-Base interactions energy: -394.282
where: short stacking energy: -170.894
Base-Backbone interact. energy: -0.022
local terms energy: -178.875299
where:
bonds (distance) C4'-P energy: -29.613
bonds (distance) P-C4' energy: -31.494
flat angles C4'-P-C4' energy: -39.442
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: -51.491
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: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -533.782340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.782340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.782340 (E_RNA)
where:
Base-Base interactions energy: -358.690
where: short stacking energy: -150.457
Base-Backbone interact. energy: -0.019
local terms energy: -175.073191
where:
bonds (distance) C4'-P energy: -32.913
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -49.390
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: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -553.364581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.364581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.364581 (E_RNA)
where:
Base-Base interactions energy: -384.563
where: short stacking energy: -159.684
Base-Backbone interact. energy: -0.041
local terms energy: -169.358600
where:
bonds (distance) C4'-P energy: -32.040
bonds (distance) P-C4' energy: -36.227
flat angles C4'-P-C4' energy: -35.306
flat angles P-C4'-P energy: -25.351
tors. eta vs tors. theta energy: -40.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.598 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -529.562354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.562354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.562354 (E_RNA)
where:
Base-Base interactions energy: -359.312
where: short stacking energy: -163.158
Base-Backbone interact. energy: 0.559
local terms energy: -170.875886
where:
bonds (distance) C4'-P energy: -35.435
bonds (distance) P-C4' energy: -27.526
flat angles C4'-P-C4' energy: -33.312
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -53.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -434.480110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.480110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.480110 (E_RNA)
where:
Base-Base interactions energy: -298.563
where: short stacking energy: -113.579
Base-Backbone interact. energy: 1.546
local terms energy: -137.462513
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -35.393
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -22.424
tors. eta vs tors. theta energy: -29.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -430.419789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.419789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.419789 (E_RNA)
where:
Base-Base interactions energy: -286.148
where: short stacking energy: -129.392
Base-Backbone interact. energy: -1.497
local terms energy: -142.774956
where:
bonds (distance) C4'-P energy: -26.289
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -31.440
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -35.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -451.499409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.499409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.499409 (E_RNA)
where:
Base-Base interactions energy: -301.609
where: short stacking energy: -128.863
Base-Backbone interact. energy: -0.485
local terms energy: -149.405452
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -35.719
flat angles C4'-P-C4' energy: -30.468
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -33.200
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: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -395.236803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.236803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.236803 (E_RNA)
where:
Base-Base interactions energy: -261.662
where: short stacking energy: -112.429
Base-Backbone interact. energy: -0.360
local terms energy: -133.214795
where:
bonds (distance) C4'-P energy: -29.209
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -31.721
flat angles P-C4'-P energy: -19.853
tors. eta vs tors. theta energy: -29.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -161.634490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.634490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.634490 (E_RNA)
where:
Base-Base interactions energy: -52.327
where: short stacking energy: -39.750
Base-Backbone interact. energy: -0.651
local terms energy: -108.655912
where:
bonds (distance) C4'-P energy: -40.295
bonds (distance) P-C4' energy: -31.188
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -140.042221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.042221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.042221 (E_RNA)
where:
Base-Base interactions energy: -47.610
where: short stacking energy: -47.320
Base-Backbone interact. energy: -0.700
local terms energy: -91.732272
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -27.029
flat angles C4'-P-C4' energy: -23.896
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: 3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -580.311584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.311584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.311584 (E_RNA)
where:
Base-Base interactions energy: -394.704
where: short stacking energy: -168.834
Base-Backbone interact. energy: -0.205
local terms energy: -185.744875
where:
bonds (distance) C4'-P energy: -38.524
bonds (distance) P-C4' energy: -29.445
flat angles C4'-P-C4' energy: -35.146
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -56.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.342 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -535.133779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.133779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.133779 (E_RNA)
where:
Base-Base interactions energy: -357.883
where: short stacking energy: -137.771
Base-Backbone interact. energy: -0.679
local terms energy: -176.571683
where:
bonds (distance) C4'-P energy: -39.344
bonds (distance) P-C4' energy: -36.544
flat angles C4'-P-C4' energy: -35.309
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -40.305
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: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -537.403874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.403874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.403874 (E_RNA)
where:
Base-Base interactions energy: -370.443
where: short stacking energy: -160.574
Base-Backbone interact. energy: 0.674
local terms energy: -167.634644
where:
bonds (distance) C4'-P energy: -32.263
bonds (distance) P-C4' energy: -37.221
flat angles C4'-P-C4' energy: -35.791
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -40.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -541.115420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.115420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.115420 (E_RNA)
where:
Base-Base interactions energy: -367.263
where: short stacking energy: -160.267
Base-Backbone interact. energy: -1.169
local terms energy: -173.811220
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -35.211
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -53.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.128 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -448.463320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.463320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.463320 (E_RNA)
where:
Base-Base interactions energy: -297.684
where: short stacking energy: -118.863
Base-Backbone interact. energy: -0.024
local terms energy: -151.299660
where:
bonds (distance) C4'-P energy: -30.987
bonds (distance) P-C4' energy: -34.389
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -31.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.544 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -429.593762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.593762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.593762 (E_RNA)
where:
Base-Base interactions energy: -292.333
where: short stacking energy: -136.060
Base-Backbone interact. energy: -0.343
local terms energy: -136.917744
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -33.379
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -34.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -442.938658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.938658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.938658 (E_RNA)
where:
Base-Base interactions energy: -300.483
where: short stacking energy: -125.741
Base-Backbone interact. energy: 1.181
local terms energy: -143.636457
where:
bonds (distance) C4'-P energy: -27.016
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -37.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -396.248561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.248561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.248561 (E_RNA)
where:
Base-Base interactions energy: -248.112
where: short stacking energy: -106.403
Base-Backbone interact. energy: -0.847
local terms energy: -147.289361
where:
bonds (distance) C4'-P energy: -33.272
bonds (distance) P-C4' energy: -31.538
flat angles C4'-P-C4' energy: -33.075
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -30.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -161.573133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.573133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.573133 (E_RNA)
where:
Base-Base interactions energy: -59.098
where: short stacking energy: -46.551
Base-Backbone interact. energy: -0.762
local terms energy: -101.712778
where:
bonds (distance) C4'-P energy: -28.711
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: 3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -142.294781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.294781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.294781 (E_RNA)
where:
Base-Base interactions energy: -49.936
where: short stacking energy: -43.234
Base-Backbone interact. energy: -0.398
local terms energy: -91.960401
where:
bonds (distance) C4'-P energy: -30.363
bonds (distance) P-C4' energy: -32.262
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: 2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -564.588054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.588054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.588054 (E_RNA)
where:
Base-Base interactions energy: -383.309
where: short stacking energy: -159.163
Base-Backbone interact. energy: -0.054
local terms energy: -181.224565
where:
bonds (distance) C4'-P energy: -38.318
bonds (distance) P-C4' energy: -33.531
flat angles C4'-P-C4' energy: -34.129
flat angles P-C4'-P energy: -23.522
tors. eta vs tors. theta energy: -51.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -542.210374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.210374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.210374 (E_RNA)
where:
Base-Base interactions energy: -383.524
where: short stacking energy: -154.191
Base-Backbone interact. energy: -0.809
local terms energy: -158.007234
where:
bonds (distance) C4'-P energy: -25.866
bonds (distance) P-C4' energy: -34.251
flat angles C4'-P-C4' energy: -33.871
flat angles P-C4'-P energy: -22.777
tors. eta vs tors. theta energy: -41.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.130 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -525.435037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.435037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.435037 (E_RNA)
where:
Base-Base interactions energy: -367.242
where: short stacking energy: -156.157
Base-Backbone interact. energy: -0.489
local terms energy: -157.704499
where:
bonds (distance) C4'-P energy: -22.481
bonds (distance) P-C4' energy: -35.581
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -25.509
tors. eta vs tors. theta energy: -39.801
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: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -520.346387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.346387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.346387 (E_RNA)
where:
Base-Base interactions energy: -350.360
where: short stacking energy: -136.778
Base-Backbone interact. energy: 0.362
local terms energy: -170.349184
where:
bonds (distance) C4'-P energy: -31.972
bonds (distance) P-C4' energy: -39.864
flat angles C4'-P-C4' energy: -32.561
flat angles P-C4'-P energy: -13.355
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: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -459.927801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.927801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.927801 (E_RNA)
where:
Base-Base interactions energy: -302.481
where: short stacking energy: -120.797
Base-Backbone interact. energy: -0.515
local terms energy: -156.931919
where:
bonds (distance) C4'-P energy: -36.866
bonds (distance) P-C4' energy: -32.889
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -36.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -428.881745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.881745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.881745 (E_RNA)
where:
Base-Base interactions energy: -287.437
where: short stacking energy: -134.586
Base-Backbone interact. energy: 0.827
local terms energy: -142.271068
where:
bonds (distance) C4'-P energy: -32.606
bonds (distance) P-C4' energy: -27.931
flat angles C4'-P-C4' energy: -28.480
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -36.327
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: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -405.550506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.550506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.550506 (E_RNA)
where:
Base-Base interactions energy: -263.411
where: short stacking energy: -121.565
Base-Backbone interact. energy: 0.025
local terms energy: -142.164772
where:
bonds (distance) C4'-P energy: -31.777
bonds (distance) P-C4' energy: -30.727
flat angles C4'-P-C4' energy: -32.361
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -384.867623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.867623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.867623 (E_RNA)
where:
Base-Base interactions energy: -252.366
where: short stacking energy: -110.717
Base-Backbone interact. energy: -0.936
local terms energy: -131.854829
where:
bonds (distance) C4'-P energy: -26.588
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -29.887
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -27.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.289 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -165.438640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.438640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.438640 (E_RNA)
where:
Base-Base interactions energy: -66.817
where: short stacking energy: -65.019
Base-Backbone interact. energy: 0.469
local terms energy: -99.091305
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -20.092
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: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -171.449232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.449232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.449232 (E_RNA)
where:
Base-Base interactions energy: -76.295
where: short stacking energy: -46.237
Base-Backbone interact. energy: -1.048
local terms energy: -94.105772
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -35.815
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: 1.347
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: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -581.405592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.405592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.405592 (E_RNA)
where:
Base-Base interactions energy: -404.083
where: short stacking energy: -184.728
Base-Backbone interact. energy: -0.653
local terms energy: -176.668737
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -35.531
flat angles P-C4'-P energy: -27.741
tors. eta vs tors. theta energy: -56.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -553.258733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.258733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.258733 (E_RNA)
where:
Base-Base interactions energy: -378.350
where: short stacking energy: -161.034
Base-Backbone interact. energy: -0.312
local terms energy: -174.596671
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -35.899
flat angles C4'-P-C4' energy: -37.949
flat angles P-C4'-P energy: -33.342
tors. eta vs tors. theta energy: -40.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -526.738465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.738465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.738465 (E_RNA)
where:
Base-Base interactions energy: -373.665
where: short stacking energy: -150.823
Base-Backbone interact. energy: -0.131
local terms energy: -152.942978
where:
bonds (distance) C4'-P energy: -31.871
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -30.013
flat angles P-C4'-P energy: -16.560
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: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -543.340300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.340300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.340300 (E_RNA)
where:
Base-Base interactions energy: -384.431
where: short stacking energy: -158.721
Base-Backbone interact. energy: -0.415
local terms energy: -158.494336
where:
bonds (distance) C4'-P energy: -28.092
bonds (distance) P-C4' energy: -31.034
flat angles C4'-P-C4' energy: -29.451
flat angles P-C4'-P energy: -20.795
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: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -488.739380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.739380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.739380 (E_RNA)
where:
Base-Base interactions energy: -343.532
where: short stacking energy: -135.399
Base-Backbone interact. energy: -0.168
local terms energy: -145.039432
where:
bonds (distance) C4'-P energy: -29.006
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -19.796
tors. eta vs tors. theta energy: -33.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -410.337530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.337530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.337530 (E_RNA)
where:
Base-Base interactions energy: -275.115
where: short stacking energy: -123.195
Base-Backbone interact. energy: -0.463
local terms energy: -134.758943
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -36.709
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -29.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -414.233398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.233398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.233398 (E_RNA)
where:
Base-Base interactions energy: -270.387
where: short stacking energy: -122.825
Base-Backbone interact. energy: 1.666
local terms energy: -145.512567
where:
bonds (distance) C4'-P energy: -29.503
bonds (distance) P-C4' energy: -34.455
flat angles C4'-P-C4' energy: -30.553
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -33.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -400.846354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.846354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.846354 (E_RNA)
where:
Base-Base interactions energy: -272.822
where: short stacking energy: -124.190
Base-Backbone interact. energy: -0.423
local terms energy: -127.601415
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -25.081
flat angles C4'-P-C4' energy: -34.040
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -33.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -165.188224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.188224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.188224 (E_RNA)
where:
Base-Base interactions energy: -51.772
where: short stacking energy: -45.288
Base-Backbone interact. energy: -0.611
local terms energy: -112.805304
where:
bonds (distance) C4'-P energy: -32.878
bonds (distance) P-C4' energy: -33.994
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -19.461
tors. eta vs tors. theta energy: 2.782
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: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -147.914183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.914183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.914183 (E_RNA)
where:
Base-Base interactions energy: -51.845
where: short stacking energy: -44.159
Base-Backbone interact. energy: -0.295
local terms energy: -95.773212
where:
bonds (distance) C4'-P energy: -28.562
bonds (distance) P-C4' energy: -32.585
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -562.603399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.603399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.603399 (E_RNA)
where:
Base-Base interactions energy: -377.057
where: short stacking energy: -165.803
Base-Backbone interact. energy: -0.321
local terms energy: -185.336073
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -35.263
flat angles C4'-P-C4' energy: -37.420
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -52.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.111 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -533.955126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.955126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.955126 (E_RNA)
where:
Base-Base interactions energy: -374.259
where: short stacking energy: -157.775
Base-Backbone interact. energy: 0.046
local terms energy: -159.742606
where:
bonds (distance) C4'-P energy: -29.775
bonds (distance) P-C4' energy: -33.487
flat angles C4'-P-C4' energy: -34.603
flat angles P-C4'-P energy: -15.778
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: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -547.116571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.116571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.116571 (E_RNA)
where:
Base-Base interactions energy: -375.243
where: short stacking energy: -156.274
Base-Backbone interact. energy: 0.662
local terms energy: -172.535567
where:
bonds (distance) C4'-P energy: -33.661
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -43.498
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: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -543.403267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.403267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.403267 (E_RNA)
where:
Base-Base interactions energy: -376.178
where: short stacking energy: -163.779
Base-Backbone interact. energy: -0.147
local terms energy: -169.115725
where:
bonds (distance) C4'-P energy: -24.682
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -40.112
flat angles P-C4'-P energy: -26.396
tors. eta vs tors. theta energy: -54.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.038 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -487.472454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.472454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.472454 (E_RNA)
where:
Base-Base interactions energy: -327.851
where: short stacking energy: -136.369
Base-Backbone interact. energy: -0.539
local terms energy: -159.082198
where:
bonds (distance) C4'-P energy: -34.593
bonds (distance) P-C4' energy: -34.633
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -38.052
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: 441
Temperature: 1.150000
Total energy: -423.853789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.853789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.853789 (E_RNA)
where:
Base-Base interactions energy: -267.812
where: short stacking energy: -118.311
Base-Backbone interact. energy: -0.097
local terms energy: -155.945424
where:
bonds (distance) C4'-P energy: -36.662
bonds (distance) P-C4' energy: -31.548
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -37.209
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: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -404.854783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.854783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.854783 (E_RNA)
where:
Base-Base interactions energy: -264.470
where: short stacking energy: -112.801
Base-Backbone interact. energy: -0.268
local terms energy: -140.116419
where:
bonds (distance) C4'-P energy: -33.243
bonds (distance) P-C4' energy: -29.443
flat angles C4'-P-C4' energy: -29.593
flat angles P-C4'-P energy: -22.797
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -406.006955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.006955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.006955 (E_RNA)
where:
Base-Base interactions energy: -269.507
where: short stacking energy: -118.642
Base-Backbone interact. energy: -0.393
local terms energy: -136.106812
where:
bonds (distance) C4'-P energy: -27.721
bonds (distance) P-C4' energy: -24.844
flat angles C4'-P-C4' energy: -31.493
flat angles P-C4'-P energy: -18.967
tors. eta vs tors. theta energy: -33.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -171.915366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.915366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.915366 (E_RNA)
where:
Base-Base interactions energy: -68.763
where: short stacking energy: -44.045
Base-Backbone interact. energy: 0.544
local terms energy: -103.697108
where:
bonds (distance) C4'-P energy: -31.349
bonds (distance) P-C4' energy: -28.924
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: 2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -142.202925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.202925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.202925 (E_RNA)
where:
Base-Base interactions energy: -52.584
where: short stacking energy: -40.220
Base-Backbone interact. energy: -0.359
local terms energy: -89.259482
where:
bonds (distance) C4'-P energy: -27.660
bonds (distance) P-C4' energy: -29.744
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: 8.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -567.816908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.816908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.816908 (E_RNA)
where:
Base-Base interactions energy: -382.297
where: short stacking energy: -169.059
Base-Backbone interact. energy: -0.638
local terms energy: -184.908556
where:
bonds (distance) C4'-P energy: -35.825
bonds (distance) P-C4' energy: -28.431
flat angles C4'-P-C4' energy: -36.671
flat angles P-C4'-P energy: -25.784
tors. eta vs tors. theta energy: -58.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.026 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -554.761975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.761975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.761975 (E_RNA)
where:
Base-Base interactions energy: -379.264
where: short stacking energy: -153.402
Base-Backbone interact. energy: -1.022
local terms energy: -174.475273
where:
bonds (distance) C4'-P energy: -33.351
bonds (distance) P-C4' energy: -36.290
flat angles C4'-P-C4' energy: -37.386
flat angles P-C4'-P energy: -21.814
tors. eta vs tors. theta energy: -45.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -536.930046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.930046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.930046 (E_RNA)
where:
Base-Base interactions energy: -370.518
where: short stacking energy: -155.995
Base-Backbone interact. energy: -0.432
local terms energy: -165.979055
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -44.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -527.800969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.800969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.800969 (E_RNA)
where:
Base-Base interactions energy: -362.980
where: short stacking energy: -161.639
Base-Backbone interact. energy: 0.575
local terms energy: -165.396024
where:
bonds (distance) C4'-P energy: -30.272
bonds (distance) P-C4' energy: -27.149
flat angles C4'-P-C4' energy: -36.640
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -49.525
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: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -477.958431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.958431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.958431 (E_RNA)
where:
Base-Base interactions energy: -321.965
where: short stacking energy: -130.449
Base-Backbone interact. energy: -0.176
local terms energy: -155.817939
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -26.721
flat angles C4'-P-C4' energy: -41.274
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -35.471
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: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -415.473511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.473511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.473511 (E_RNA)
where:
Base-Base interactions energy: -268.622
where: short stacking energy: -113.275
Base-Backbone interact. energy: -0.090
local terms energy: -146.760689
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -34.593
flat angles C4'-P-C4' energy: -35.334
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -403.224473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.224473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.224473 (E_RNA)
where:
Base-Base interactions energy: -282.770
where: short stacking energy: -117.107
Base-Backbone interact. energy: 0.373
local terms energy: -120.827576
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -30.092
flat angles C4'-P-C4' energy: -27.646
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -414.829872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.829872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.829872 (E_RNA)
where:
Base-Base interactions energy: -273.023
where: short stacking energy: -126.540
Base-Backbone interact. energy: -0.782
local terms energy: -141.024253
where:
bonds (distance) C4'-P energy: -28.809
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -33.053
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -34.966
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: 9, replica: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -166.934640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.934640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.934640 (E_RNA)
where:
Base-Base interactions energy: -71.839
where: short stacking energy: -50.576
Base-Backbone interact. energy: -0.620
local terms energy: -94.684085
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -37.603
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.208 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -151.822985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.822985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.822985 (E_RNA)
where:
Base-Base interactions energy: -61.754
where: short stacking energy: -41.344
Base-Backbone interact. energy: -1.485
local terms energy: -88.583269
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -31.112
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: 4.631
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: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -576.609616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.609616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.609616 (E_RNA)
where:
Base-Base interactions energy: -389.833
where: short stacking energy: -168.831
Base-Backbone interact. energy: -0.065
local terms energy: -186.710796
where:
bonds (distance) C4'-P energy: -36.133
bonds (distance) P-C4' energy: -33.336
flat angles C4'-P-C4' energy: -38.330
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: -53.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -546.319826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.319826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.319826 (E_RNA)
where:
Base-Base interactions energy: -368.647
where: short stacking energy: -162.938
Base-Backbone interact. energy: -0.331
local terms energy: -177.341985
where:
bonds (distance) C4'-P energy: -29.270
bonds (distance) P-C4' energy: -42.639
flat angles C4'-P-C4' energy: -36.988
flat angles P-C4'-P energy: -16.850
tors. eta vs tors. theta energy: -51.594
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: 443
Temperature: 1.000000
Total energy: -536.081942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.081942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.081942 (E_RNA)
where:
Base-Base interactions energy: -365.704
where: short stacking energy: -159.309
Base-Backbone interact. energy: -0.525
local terms energy: -169.853687
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -34.583
flat angles C4'-P-C4' energy: -34.892
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -49.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -508.234199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.234199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.234199 (E_RNA)
where:
Base-Base interactions energy: -337.212
where: short stacking energy: -154.649
Base-Backbone interact. energy: -0.579
local terms energy: -170.442767
where:
bonds (distance) C4'-P energy: -29.424
bonds (distance) P-C4' energy: -29.121
flat angles C4'-P-C4' energy: -36.867
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -51.315
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: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -487.517485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.517485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.517485 (E_RNA)
where:
Base-Base interactions energy: -338.773
where: short stacking energy: -141.553
Base-Backbone interact. energy: 0.562
local terms energy: -149.306122
where:
bonds (distance) C4'-P energy: -25.806
bonds (distance) P-C4' energy: -36.562
flat angles C4'-P-C4' energy: -33.108
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -39.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -424.356694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.356694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.356694 (E_RNA)
where:
Base-Base interactions energy: -283.547
where: short stacking energy: -108.356
Base-Backbone interact. energy: -0.772
local terms energy: -140.234300
where:
bonds (distance) C4'-P energy: -34.293
bonds (distance) P-C4' energy: -28.168
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.196 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -404.396198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.396198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.396198 (E_RNA)
where:
Base-Base interactions energy: -264.555
where: short stacking energy: -111.227
Base-Backbone interact. energy: -0.465
local terms energy: -139.375637
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -35.634
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -25.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -401.331485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.331485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.331485 (E_RNA)
where:
Base-Base interactions energy: -267.824
where: short stacking energy: -117.142
Base-Backbone interact. energy: 0.445
local terms energy: -133.952295
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -31.055
flat angles C4'-P-C4' energy: -28.571
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -24.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -162.228032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.228032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.228032 (E_RNA)
where:
Base-Base interactions energy: -57.523
where: short stacking energy: -36.766
Base-Backbone interact. energy: -0.291
local terms energy: -105.207181
where:
bonds (distance) C4'-P energy: -30.727
bonds (distance) P-C4' energy: -30.378
flat angles C4'-P-C4' energy: -37.260
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.794 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -142.884123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.884123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.884123 (E_RNA)
where:
Base-Base interactions energy: -48.273
where: short stacking energy: -40.260
Base-Backbone interact. energy: -0.312
local terms energy: -94.299436
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -24.948
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: 5.870
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: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -564.303978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.303978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.303978 (E_RNA)
where:
Base-Base interactions energy: -381.979
where: short stacking energy: -175.044
Base-Backbone interact. energy: -0.632
local terms energy: -184.214355
where:
bonds (distance) C4'-P energy: -28.482
bonds (distance) P-C4' energy: -35.067
flat angles C4'-P-C4' energy: -37.788
flat angles P-C4'-P energy: -31.632
tors. eta vs tors. theta energy: -51.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.521 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -552.253077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.253077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.253077 (E_RNA)
where:
Base-Base interactions energy: -385.513
where: short stacking energy: -164.020
Base-Backbone interact. energy: -0.010
local terms energy: -166.729852
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -37.617
flat angles C4'-P-C4' energy: -37.741
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -51.337
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: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -521.030910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.030910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.030910 (E_RNA)
where:
Base-Base interactions energy: -340.235
where: short stacking energy: -153.539
Base-Backbone interact. energy: -1.508
local terms energy: -179.287542
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -41.313
flat angles C4'-P-C4' energy: -39.073
flat angles P-C4'-P energy: -24.929
tors. eta vs tors. theta energy: -45.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -534.004684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.004684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.004684 (E_RNA)
where:
Base-Base interactions energy: -362.598
where: short stacking energy: -149.805
Base-Backbone interact. energy: -0.090
local terms energy: -171.316378
where:
bonds (distance) C4'-P energy: -34.068
bonds (distance) P-C4' energy: -35.429
flat angles C4'-P-C4' energy: -30.442
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -48.451
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: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -435.720162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.720162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.720162 (E_RNA)
where:
Base-Base interactions energy: -296.251
where: short stacking energy: -128.925
Base-Backbone interact. energy: 2.604
local terms energy: -142.073387
where:
bonds (distance) C4'-P energy: -31.410
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -31.674
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -29.942
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: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -454.538982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.538982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.538982 (E_RNA)
where:
Base-Base interactions energy: -310.726
where: short stacking energy: -130.673
Base-Backbone interact. energy: -0.423
local terms energy: -143.390208
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -32.357
flat angles C4'-P-C4' energy: -29.945
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -34.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -391.160602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.160602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.160602 (E_RNA)
where:
Base-Base interactions energy: -256.427
where: short stacking energy: -106.039
Base-Backbone interact. energy: -1.411
local terms energy: -133.323072
where:
bonds (distance) C4'-P energy: -29.793
bonds (distance) P-C4' energy: -33.374
flat angles C4'-P-C4' energy: -33.682
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -404.552575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.552575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.552575 (E_RNA)
where:
Base-Base interactions energy: -284.316
where: short stacking energy: -112.364
Base-Backbone interact. energy: 1.746
local terms energy: -121.982825
where:
bonds (distance) C4'-P energy: -32.154
bonds (distance) P-C4' energy: -23.145
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -28.885
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: 9, replica: 2
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -162.626370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.626370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.626370 (E_RNA)
where:
Base-Base interactions energy: -70.770
where: short stacking energy: -54.006
Base-Backbone interact. energy: 6.781
local terms energy: -98.638013
where:
bonds (distance) C4'-P energy: -31.184
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -19.021
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: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -149.622581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.622581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.622581 (E_RNA)
where:
Base-Base interactions energy: -49.628
where: short stacking energy: -42.658
Base-Backbone interact. energy: 0.033
local terms energy: -100.350008
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -30.203
flat angles C4'-P-C4' energy: -30.135
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.323 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -565.454488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.454488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.454488 (E_RNA)
where:
Base-Base interactions energy: -379.908
where: short stacking energy: -168.284
Base-Backbone interact. energy: -0.932
local terms energy: -185.698155
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -35.981
flat angles C4'-P-C4' energy: -39.156
flat angles P-C4'-P energy: -27.155
tors. eta vs tors. theta energy: -55.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.084 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -555.584940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.584940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.584940 (E_RNA)
where:
Base-Base interactions energy: -379.806
where: short stacking energy: -163.293
Base-Backbone interact. energy: -0.571
local terms energy: -175.207330
where:
bonds (distance) C4'-P energy: -32.405
bonds (distance) P-C4' energy: -34.108
flat angles C4'-P-C4' energy: -38.298
flat angles P-C4'-P energy: -22.635
tors. eta vs tors. theta energy: -47.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -539.818701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.818701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.818701 (E_RNA)
where:
Base-Base interactions energy: -364.206
where: short stacking energy: -166.668
Base-Backbone interact. energy: 1.480
local terms energy: -177.093248
where:
bonds (distance) C4'-P energy: -28.231
bonds (distance) P-C4' energy: -32.034
flat angles C4'-P-C4' energy: -39.790
flat angles P-C4'-P energy: -24.240
tors. eta vs tors. theta energy: -52.798
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: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -525.937298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.937298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.937298 (E_RNA)
where:
Base-Base interactions energy: -363.570
where: short stacking energy: -138.045
Base-Backbone interact. energy: -0.263
local terms energy: -162.103580
where:
bonds (distance) C4'-P energy: -27.333
bonds (distance) P-C4' energy: -32.454
flat angles C4'-P-C4' energy: -41.309
flat angles P-C4'-P energy: -21.542
tors. eta vs tors. theta energy: -39.465
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: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -465.550533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.550533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.550533 (E_RNA)
where:
Base-Base interactions energy: -313.359
where: short stacking energy: -132.006
Base-Backbone interact. energy: -0.226
local terms energy: -151.965002
where:
bonds (distance) C4'-P energy: -36.441
bonds (distance) P-C4' energy: -34.442
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -36.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -479.602931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.602931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.602931 (E_RNA)
where:
Base-Base interactions energy: -322.081
where: short stacking energy: -135.582
Base-Backbone interact. energy: 0.549
local terms energy: -158.070306
where:
bonds (distance) C4'-P energy: -36.130
bonds (distance) P-C4' energy: -31.375
flat angles C4'-P-C4' energy: -37.062
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -37.491
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: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -409.366140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.366140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.366140 (E_RNA)
where:
Base-Base interactions energy: -252.407
where: short stacking energy: -104.690
Base-Backbone interact. energy: -0.463
local terms energy: -156.496680
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -35.471
flat angles C4'-P-C4' energy: -31.024
flat angles P-C4'-P energy: -25.964
tors. eta vs tors. theta energy: -34.113
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: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -412.345991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.345991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.345991 (E_RNA)
where:
Base-Base interactions energy: -282.799
where: short stacking energy: -113.532
Base-Backbone interact. energy: -0.181
local terms energy: -129.365536
where:
bonds (distance) C4'-P energy: -27.900
bonds (distance) P-C4' energy: -24.137
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -27.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -159.278826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.278826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.278826 (E_RNA)
where:
Base-Base interactions energy: -68.095
where: short stacking energy: -57.106
Base-Backbone interact. energy: -0.896
local terms energy: -90.483478
where:
bonds (distance) C4'-P energy: -28.834
bonds (distance) P-C4' energy: -33.259
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -16.351
tors. eta vs tors. theta energy: 6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.196 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -154.378619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.378619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.378619 (E_RNA)
where:
Base-Base interactions energy: -49.497
where: short stacking energy: -48.823
Base-Backbone interact. energy: -0.728
local terms energy: -104.153742
where:
bonds (distance) C4'-P energy: -31.148
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -23.768
tors. eta vs tors. theta energy: -2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -577.002764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.002764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.002764 (E_RNA)
where:
Base-Base interactions energy: -394.562
where: short stacking energy: -153.470
Base-Backbone interact. energy: 0.053
local terms energy: -182.493175
where:
bonds (distance) C4'-P energy: -37.296
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -37.998
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -49.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -555.187970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.187970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.187970 (E_RNA)
where:
Base-Base interactions energy: -378.711
where: short stacking energy: -161.762
Base-Backbone interact. energy: 0.281
local terms energy: -176.856520
where:
bonds (distance) C4'-P energy: -28.411
bonds (distance) P-C4' energy: -35.294
flat angles C4'-P-C4' energy: -37.509
flat angles P-C4'-P energy: -26.179
tors. eta vs tors. theta energy: -49.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.098 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -538.190314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.190314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.190314 (E_RNA)
where:
Base-Base interactions energy: -373.661
where: short stacking energy: -152.921
Base-Backbone interact. energy: 0.376
local terms energy: -166.877151
where:
bonds (distance) C4'-P energy: -35.075
bonds (distance) P-C4' energy: -34.417
flat angles C4'-P-C4' energy: -32.655
flat angles P-C4'-P energy: -21.208
tors. eta vs tors. theta energy: -43.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.972 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -520.250927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.250927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.250927 (E_RNA)
where:
Base-Base interactions energy: -357.446
where: short stacking energy: -146.208
Base-Backbone interact. energy: -0.909
local terms energy: -161.896314
where:
bonds (distance) C4'-P energy: -29.533
bonds (distance) P-C4' energy: -33.392
flat angles C4'-P-C4' energy: -37.053
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -39.784
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: 446
Temperature: 1.100000
Total energy: -499.703827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.703827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.703827 (E_RNA)
where:
Base-Base interactions energy: -336.070
where: short stacking energy: -136.119
Base-Backbone interact. energy: -0.286
local terms energy: -163.347808
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -36.691
flat angles C4'-P-C4' energy: -35.588
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -42.284
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: 6, replica: 3
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -468.089442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.089442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.089442 (E_RNA)
where:
Base-Base interactions energy: -310.542
where: short stacking energy: -138.617
Base-Backbone interact. energy: -0.055
local terms energy: -157.493016
where:
bonds (distance) C4'-P energy: -30.447
bonds (distance) P-C4' energy: -36.641
flat angles C4'-P-C4' energy: -33.979
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -33.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -426.124222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.124222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.124222 (E_RNA)
where:
Base-Base interactions energy: -298.898
where: short stacking energy: -121.256
Base-Backbone interact. energy: 0.473
local terms energy: -127.699373
where:
bonds (distance) C4'-P energy: -22.899
bonds (distance) P-C4' energy: -29.177
flat angles C4'-P-C4' energy: -26.474
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -32.577
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: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -381.912679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.912679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.912679 (E_RNA)
where:
Base-Base interactions energy: -259.339
where: short stacking energy: -110.544
Base-Backbone interact. energy: -0.233
local terms energy: -122.340835
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -30.593
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -190.796618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.796618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.796618 (E_RNA)
where:
Base-Base interactions energy: -85.046
where: short stacking energy: -45.630
Base-Backbone interact. energy: -0.599
local terms energy: -105.152106
where:
bonds (distance) C4'-P energy: -33.359
bonds (distance) P-C4' energy: -38.034
flat angles C4'-P-C4' energy: -24.136
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: 0.491
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: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -161.650877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.650877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.650877 (E_RNA)
where:
Base-Base interactions energy: -71.631
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.349
local terms energy: -90.903983
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -28.936
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -2.625
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: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -584.172578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.172578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.172578 (E_RNA)
where:
Base-Base interactions energy: -403.087
where: short stacking energy: -171.383
Base-Backbone interact. energy: -0.048
local terms energy: -181.038097
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -35.476
flat angles C4'-P-C4' energy: -35.177
flat angles P-C4'-P energy: -25.159
tors. eta vs tors. theta energy: -47.999
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: 447
Temperature: 0.950000
Total energy: -563.499652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.499652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.499652 (E_RNA)
where:
Base-Base interactions energy: -378.029
where: short stacking energy: -162.855
Base-Backbone interact. energy: -0.346
local terms energy: -185.124144
where:
bonds (distance) C4'-P energy: -37.783
bonds (distance) P-C4' energy: -34.632
flat angles C4'-P-C4' energy: -33.228
flat angles P-C4'-P energy: -28.094
tors. eta vs tors. theta energy: -51.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -541.904068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.904068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.904068 (E_RNA)
where:
Base-Base interactions energy: -357.713
where: short stacking energy: -165.830
Base-Backbone interact. energy: 0.520
local terms energy: -184.710875
where:
bonds (distance) C4'-P energy: -30.810
bonds (distance) P-C4' energy: -34.522
flat angles C4'-P-C4' energy: -37.814
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -55.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -513.693102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.693102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.693102 (E_RNA)
where:
Base-Base interactions energy: -353.338
where: short stacking energy: -136.645
Base-Backbone interact. energy: -1.276
local terms energy: -159.078671
where:
bonds (distance) C4'-P energy: -31.795
bonds (distance) P-C4' energy: -35.703
flat angles C4'-P-C4' energy: -31.843
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: -37.450
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: 447
Temperature: 1.100000
Total energy: -500.854171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.854171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.854171 (E_RNA)
where:
Base-Base interactions energy: -339.667
where: short stacking energy: -142.512
Base-Backbone interact. energy: -0.229
local terms energy: -160.958240
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -37.593
flat angles P-C4'-P energy: -25.884
tors. eta vs tors. theta energy: -38.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -452.680832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.680832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.680832 (E_RNA)
where:
Base-Base interactions energy: -307.441
where: short stacking energy: -136.921
Base-Backbone interact. energy: -0.674
local terms energy: -144.565224
where:
bonds (distance) C4'-P energy: -30.227
bonds (distance) P-C4' energy: -29.311
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -22.966
tors. eta vs tors. theta energy: -32.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -416.166523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.166523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.166523 (E_RNA)
where:
Base-Base interactions energy: -278.590
where: short stacking energy: -106.181
Base-Backbone interact. energy: -0.370
local terms energy: -137.206882
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -30.005
flat angles C4'-P-C4' energy: -28.518
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -29.113
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: 447
Temperature: 1.250000
Total energy: -414.228302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.228302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.228302 (E_RNA)
where:
Base-Base interactions energy: -269.209
where: short stacking energy: -118.325
Base-Backbone interact. energy: -0.713
local terms energy: -144.307157
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -33.754
flat angles C4'-P-C4' energy: -31.976
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: -30.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -178.738479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.738479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.738479 (E_RNA)
where:
Base-Base interactions energy: -65.367
where: short stacking energy: -46.654
Base-Backbone interact. energy: -0.310
local terms energy: -113.061279
where:
bonds (distance) C4'-P energy: -27.725
bonds (distance) P-C4' energy: -25.777
flat angles C4'-P-C4' energy: -33.894
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -146.875047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.875047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.875047 (E_RNA)
where:
Base-Base interactions energy: -30.923
where: short stacking energy: -28.878
Base-Backbone interact. energy: -1.650
local terms energy: -114.301716
where:
bonds (distance) C4'-P energy: -29.265
bonds (distance) P-C4' energy: -32.947
flat angles C4'-P-C4' energy: -30.035
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: 2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -583.658027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.658027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.658027 (E_RNA)
where:
Base-Base interactions energy: -407.355
where: short stacking energy: -169.370
Base-Backbone interact. energy: -0.307
local terms energy: -175.996111
where:
bonds (distance) C4'-P energy: -29.571
bonds (distance) P-C4' energy: -33.082
flat angles C4'-P-C4' energy: -34.784
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -51.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -567.434079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.434079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.434079 (E_RNA)
where:
Base-Base interactions energy: -387.145
where: short stacking energy: -176.734
Base-Backbone interact. energy: -0.308
local terms energy: -179.980773
where:
bonds (distance) C4'-P energy: -29.919
bonds (distance) P-C4' energy: -29.917
flat angles C4'-P-C4' energy: -40.999
flat angles P-C4'-P energy: -21.174
tors. eta vs tors. theta energy: -57.971
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: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -526.202813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.202813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.202813 (E_RNA)
where:
Base-Base interactions energy: -353.613
where: short stacking energy: -153.413
Base-Backbone interact. energy: -0.332
local terms energy: -172.257461
where:
bonds (distance) C4'-P energy: -33.510
bonds (distance) P-C4' energy: -35.743
flat angles C4'-P-C4' energy: -38.425
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -48.485
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: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -528.612118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.612118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.612118 (E_RNA)
where:
Base-Base interactions energy: -361.346
where: short stacking energy: -161.201
Base-Backbone interact. energy: -0.106
local terms energy: -167.159688
where:
bonds (distance) C4'-P energy: -32.854
bonds (distance) P-C4' energy: -26.350
flat angles C4'-P-C4' energy: -32.191
flat angles P-C4'-P energy: -25.534
tors. eta vs tors. theta energy: -50.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -497.971888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.971888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.971888 (E_RNA)
where:
Base-Base interactions energy: -349.860
where: short stacking energy: -137.118
Base-Backbone interact. energy: -0.369
local terms energy: -147.742344
where:
bonds (distance) C4'-P energy: -25.663
bonds (distance) P-C4' energy: -31.918
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -34.816
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: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -465.709851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.709851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.709851 (E_RNA)
where:
Base-Base interactions energy: -311.883
where: short stacking energy: -131.589
Base-Backbone interact. energy: -0.304
local terms energy: -153.523200
where:
bonds (distance) C4'-P energy: -28.726
bonds (distance) P-C4' energy: -36.274
flat angles C4'-P-C4' energy: -30.520
flat angles P-C4'-P energy: -26.485
tors. eta vs tors. theta energy: -31.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -426.535110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.535110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.535110 (E_RNA)
where:
Base-Base interactions energy: -284.973
where: short stacking energy: -123.799
Base-Backbone interact. energy: -0.535
local terms energy: -141.026805
where:
bonds (distance) C4'-P energy: -21.728
bonds (distance) P-C4' energy: -29.581
flat angles C4'-P-C4' energy: -33.314
flat angles P-C4'-P energy: -24.333
tors. eta vs tors. theta energy: -32.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -417.747607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.747607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.747607 (E_RNA)
where:
Base-Base interactions energy: -270.483
where: short stacking energy: -114.906
Base-Backbone interact. energy: -0.184
local terms energy: -147.081290
where:
bonds (distance) C4'-P energy: -32.788
bonds (distance) P-C4' energy: -29.559
flat angles C4'-P-C4' energy: -30.175
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -32.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -177.381803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.381803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.381803 (E_RNA)
where:
Base-Base interactions energy: -73.293
where: short stacking energy: -49.046
Base-Backbone interact. energy: -0.325
local terms energy: -103.763209
where:
bonds (distance) C4'-P energy: -28.275
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -19.814
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -145.442222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.442222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.442222 (E_RNA)
where:
Base-Base interactions energy: -53.409
where: short stacking energy: -52.832
Base-Backbone interact. energy: -0.796
local terms energy: -92.621129
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -35.023
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -10.833
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: 1.385 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -570.470204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.470204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.470204 (E_RNA)
where:
Base-Base interactions energy: -384.447
where: short stacking energy: -162.088
Base-Backbone interact. energy: -0.130
local terms energy: -185.892966
where:
bonds (distance) C4'-P energy: -39.137
bonds (distance) P-C4' energy: -37.314
flat angles C4'-P-C4' energy: -37.549
flat angles P-C4'-P energy: -26.421
tors. eta vs tors. theta energy: -45.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -552.938982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.938982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.938982 (E_RNA)
where:
Base-Base interactions energy: -377.141
where: short stacking energy: -148.157
Base-Backbone interact. energy: -0.131
local terms energy: -175.666857
where:
bonds (distance) C4'-P energy: -34.349
bonds (distance) P-C4' energy: -33.154
flat angles C4'-P-C4' energy: -38.042
flat angles P-C4'-P energy: -23.289
tors. eta vs tors. theta energy: -46.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -546.967923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.967923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.967923 (E_RNA)
where:
Base-Base interactions energy: -382.779
where: short stacking energy: -156.357
Base-Backbone interact. energy: -0.291
local terms energy: -163.898140
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -31.366
flat angles C4'-P-C4' energy: -39.614
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -46.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -526.729543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.729543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.729543 (E_RNA)
where:
Base-Base interactions energy: -355.353
where: short stacking energy: -154.738
Base-Backbone interact. energy: -0.237
local terms energy: -171.536170
where:
bonds (distance) C4'-P energy: -29.516
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -32.949
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: -44.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.397 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -510.964567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.964567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.964567 (E_RNA)
where:
Base-Base interactions energy: -349.424
where: short stacking energy: -141.064
Base-Backbone interact. energy: -0.381
local terms energy: -161.159495
where:
bonds (distance) C4'-P energy: -29.270
bonds (distance) P-C4' energy: -34.691
flat angles C4'-P-C4' energy: -39.729
flat angles P-C4'-P energy: -19.621
tors. eta vs tors. theta energy: -37.849
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: 449
Temperature: 1.150000
Total energy: -482.807846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.807846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.807846 (E_RNA)
where:
Base-Base interactions energy: -325.509
where: short stacking energy: -133.792
Base-Backbone interact. energy: 3.670
local terms energy: -160.968630
where:
bonds (distance) C4'-P energy: -31.973
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -39.430
flat angles P-C4'-P energy: -25.056
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: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -399.800034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.800034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.800034 (E_RNA)
where:
Base-Base interactions energy: -252.657
where: short stacking energy: -117.278
Base-Backbone interact. energy: -0.258
local terms energy: -146.885016
where:
bonds (distance) C4'-P energy: -36.974
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -31.793
flat angles P-C4'-P energy: -23.946
tors. eta vs tors. theta energy: -27.187
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: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -405.442485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.442485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.442485 (E_RNA)
where:
Base-Base interactions energy: -260.405
where: short stacking energy: -110.569
Base-Backbone interact. energy: -0.807
local terms energy: -144.231177
where:
bonds (distance) C4'-P energy: -32.681
bonds (distance) P-C4' energy: -32.089
flat angles C4'-P-C4' energy: -31.188
flat angles P-C4'-P energy: -21.619
tors. eta vs tors. theta energy: -26.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -206.525576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.525576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.525576 (E_RNA)
where:
Base-Base interactions energy: -101.924
where: short stacking energy: -60.375
Base-Backbone interact. energy: 0.844
local terms energy: -105.445572
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -30.373
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -22.110
tors. eta vs tors. theta energy: -9.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -163.314889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.314889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.314889 (E_RNA)
where:
Base-Base interactions energy: -58.353
where: short stacking energy: -50.195
Base-Backbone interact. energy: -1.163
local terms energy: -103.798186
where:
bonds (distance) C4'-P energy: -27.625
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -567.810200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.810200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.810200 (E_RNA)
where:
Base-Base interactions energy: -385.001
where: short stacking energy: -164.097
Base-Backbone interact. energy: -0.675
local terms energy: -182.134535
where:
bonds (distance) C4'-P energy: -32.107
bonds (distance) P-C4' energy: -36.600
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -28.675
tors. eta vs tors. theta energy: -51.229
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: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -543.518018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.518018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.518018 (E_RNA)
where:
Base-Base interactions energy: -366.013
where: short stacking energy: -153.133
Base-Backbone interact. energy: -1.539
local terms energy: -176.313630
where:
bonds (distance) C4'-P energy: -32.604
bonds (distance) P-C4' energy: -30.950
flat angles C4'-P-C4' energy: -39.801
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -50.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.348 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -531.908588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.908588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.908588 (E_RNA)
where:
Base-Base interactions energy: -360.439
where: short stacking energy: -158.920
Base-Backbone interact. energy: -0.757
local terms energy: -171.361259
where:
bonds (distance) C4'-P energy: -26.162
bonds (distance) P-C4' energy: -37.753
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -26.146
tors. eta vs tors. theta energy: -48.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.649 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -528.040611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.040611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.040611 (E_RNA)
where:
Base-Base interactions energy: -369.864
where: short stacking energy: -148.283
Base-Backbone interact. energy: -0.141
local terms energy: -158.035225
where:
bonds (distance) C4'-P energy: -24.629
bonds (distance) P-C4' energy: -34.427
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -46.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -488.270428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.270428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.270428 (E_RNA)
where:
Base-Base interactions energy: -345.602
where: short stacking energy: -149.997
Base-Backbone interact. energy: -0.792
local terms energy: -141.876259
where:
bonds (distance) C4'-P energy: -27.311
bonds (distance) P-C4' energy: -25.879
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -37.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -469.681861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.681861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.681861 (E_RNA)
where:
Base-Base interactions energy: -324.134
where: short stacking energy: -139.778
Base-Backbone interact. energy: 0.180
local terms energy: -145.727778
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -31.595
flat angles C4'-P-C4' energy: -27.160
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -38.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -420.181639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.181639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.181639 (E_RNA)
where:
Base-Base interactions energy: -262.865
where: short stacking energy: -118.873
Base-Backbone interact. energy: -1.245
local terms energy: -156.071104
where:
bonds (distance) C4'-P energy: -33.865
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -28.227
tors. eta vs tors. theta energy: -31.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -370.209684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.209684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.209684 (E_RNA)
where:
Base-Base interactions energy: -242.652
where: short stacking energy: -93.285
Base-Backbone interact. energy: -0.104
local terms energy: -127.698325
where:
bonds (distance) C4'-P energy: -20.954
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -37.322
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -25.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.244 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -170.445017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.445017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.445017 (E_RNA)
where:
Base-Base interactions energy: -65.303
where: short stacking energy: -49.380
Base-Backbone interact. energy: -0.680
local terms energy: -104.462217
where:
bonds (distance) C4'-P energy: -34.756
bonds (distance) P-C4' energy: -27.707
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -21.200
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -213.923980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.923980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.923980 (E_RNA)
where:
Base-Base interactions energy: -97.326
where: short stacking energy: -64.640
Base-Backbone interact. energy: -0.097
local terms energy: -116.501753
where:
bonds (distance) C4'-P energy: -29.795
bonds (distance) P-C4' energy: -32.262
flat angles C4'-P-C4' energy: -25.183
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -572.271645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.271645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.271645 (E_RNA)
where:
Base-Base interactions energy: -391.183
where: short stacking energy: -162.274
Base-Backbone interact. energy: 0.128
local terms energy: -181.217332
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -38.422
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -27.197
tors. eta vs tors. theta energy: -47.699
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: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -557.387942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.387942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.387942 (E_RNA)
where:
Base-Base interactions energy: -376.232
where: short stacking energy: -166.867
Base-Backbone interact. energy: -0.328
local terms energy: -180.828405
where:
bonds (distance) C4'-P energy: -30.643
bonds (distance) P-C4' energy: -28.858
flat angles C4'-P-C4' energy: -39.637
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -54.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -544.636592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.636592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.636592 (E_RNA)
where:
Base-Base interactions energy: -375.375
where: short stacking energy: -160.502
Base-Backbone interact. energy: -0.440
local terms energy: -170.275276
where:
bonds (distance) C4'-P energy: -29.537
bonds (distance) P-C4' energy: -33.024
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -26.868
tors. eta vs tors. theta energy: -45.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.454 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -524.396676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.396676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.396676 (E_RNA)
where:
Base-Base interactions energy: -354.233
where: short stacking energy: -142.572
Base-Backbone interact. energy: 1.179
local terms energy: -171.498421
where:
bonds (distance) C4'-P energy: -30.940
bonds (distance) P-C4' energy: -35.894
flat angles C4'-P-C4' energy: -36.921
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: -42.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.155 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -525.039568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.039568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.039568 (E_RNA)
where:
Base-Base interactions energy: -371.042
where: short stacking energy: -152.256
Base-Backbone interact. energy: 0.990
local terms energy: -155.118657
where:
bonds (distance) C4'-P energy: -28.093
bonds (distance) P-C4' energy: -23.780
flat angles C4'-P-C4' energy: -35.190
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: -46.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.131 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -437.884976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.884976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.884976 (E_RNA)
where:
Base-Base interactions energy: -283.704
where: short stacking energy: -121.514
Base-Backbone interact. energy: -0.218
local terms energy: -153.962503
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -30.057
flat angles C4'-P-C4' energy: -33.897
flat angles P-C4'-P energy: -27.127
tors. eta vs tors. theta energy: -36.946
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: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -399.982141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.982141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.982141 (E_RNA)
where:
Base-Base interactions energy: -260.896
where: short stacking energy: -116.463
Base-Backbone interact. energy: -0.159
local terms energy: -138.927358
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -28.687
flat angles C4'-P-C4' energy: -34.926
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -383.558655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.558655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.558655 (E_RNA)
where:
Base-Base interactions energy: -254.988
where: short stacking energy: -103.801
Base-Backbone interact. energy: 1.032
local terms energy: -129.602553
where:
bonds (distance) C4'-P energy: -27.276
bonds (distance) P-C4' energy: -29.156
flat angles C4'-P-C4' energy: -30.532
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -19.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -166.951991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.951991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.951991 (E_RNA)
where:
Base-Base interactions energy: -72.018
where: short stacking energy: -43.976
Base-Backbone interact. energy: 0.970
local terms energy: -95.903737
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -33.567
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -18.324
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: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -145.786671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.786671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.786671 (E_RNA)
where:
Base-Base interactions energy: -39.268
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.207
local terms energy: -106.311796
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -32.472
flat angles C4'-P-C4' energy: -28.974
flat angles P-C4'-P energy: -16.987
tors. eta vs tors. theta energy: -4.381
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: 452
Temperature: 0.900000
Total energy: -580.754953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.754953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.754953 (E_RNA)
where:
Base-Base interactions energy: -392.689
where: short stacking energy: -172.266
Base-Backbone interact. energy: -0.711
local terms energy: -187.354537
where:
bonds (distance) C4'-P energy: -30.956
bonds (distance) P-C4' energy: -36.286
flat angles C4'-P-C4' energy: -35.099
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -56.010
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: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -569.171999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.171999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.171999 (E_RNA)
where:
Base-Base interactions energy: -398.665
where: short stacking energy: -169.505
Base-Backbone interact. energy: -1.111
local terms energy: -169.395285
where:
bonds (distance) C4'-P energy: -34.270
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -32.870
flat angles P-C4'-P energy: -22.939
tors. eta vs tors. theta energy: -48.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -527.259031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.259031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.259031 (E_RNA)
where:
Base-Base interactions energy: -360.984
where: short stacking energy: -156.873
Base-Backbone interact. energy: -1.067
local terms energy: -165.208110
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -34.681
flat angles P-C4'-P energy: -26.039
tors. eta vs tors. theta energy: -43.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -510.817175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.817175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.817175 (E_RNA)
where:
Base-Base interactions energy: -350.078
where: short stacking energy: -141.506
Base-Backbone interact. energy: -0.111
local terms energy: -160.628322
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -36.254
flat angles C4'-P-C4' energy: -35.657
flat angles P-C4'-P energy: -24.916
tors. eta vs tors. theta energy: -41.815
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: 452
Temperature: 1.100000
Total energy: -465.973074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.973074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.973074 (E_RNA)
where:
Base-Base interactions energy: -320.077
where: short stacking energy: -128.921
Base-Backbone interact. energy: -1.807
local terms energy: -144.088844
where:
bonds (distance) C4'-P energy: -22.863
bonds (distance) P-C4' energy: -33.996
flat angles C4'-P-C4' energy: -31.839
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -33.565
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: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -474.811838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.811838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.811838 (E_RNA)
where:
Base-Base interactions energy: -339.784
where: short stacking energy: -143.571
Base-Backbone interact. energy: -0.190
local terms energy: -134.837831
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -28.797
flat angles P-C4'-P energy: -19.236
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: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -394.101904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.101904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.101904 (E_RNA)
where:
Base-Base interactions energy: -266.308
where: short stacking energy: -127.756
Base-Backbone interact. energy: 0.064
local terms energy: -127.857156
where:
bonds (distance) C4'-P energy: -28.116
bonds (distance) P-C4' energy: -27.795
flat angles C4'-P-C4' energy: -28.625
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -29.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -355.161647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.161647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.161647 (E_RNA)
where:
Base-Base interactions energy: -231.444
where: short stacking energy: -102.789
Base-Backbone interact. energy: -0.243
local terms energy: -123.474128
where:
bonds (distance) C4'-P energy: -30.589
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -30.787
flat angles P-C4'-P energy: -20.946
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -157.411704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.411704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.411704 (E_RNA)
where:
Base-Base interactions energy: -53.663
where: short stacking energy: -46.172
Base-Backbone interact. energy: 0.611
local terms energy: -104.359852
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -32.070
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -159.785056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.785056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.785056 (E_RNA)
where:
Base-Base interactions energy: -62.558
where: short stacking energy: -44.279
Base-Backbone interact. energy: -0.662
local terms energy: -96.565048
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -22.911
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -577.166085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.166085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.166085 (E_RNA)
where:
Base-Base interactions energy: -390.040
where: short stacking energy: -172.312
Base-Backbone interact. energy: -0.084
local terms energy: -187.042624
where:
bonds (distance) C4'-P energy: -30.217
bonds (distance) P-C4' energy: -30.549
flat angles C4'-P-C4' energy: -39.916
flat angles P-C4'-P energy: -28.648
tors. eta vs tors. theta energy: -57.713
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: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -550.339517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.339517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.339517 (E_RNA)
where:
Base-Base interactions energy: -373.470
where: short stacking energy: -154.502
Base-Backbone interact. energy: -0.078
local terms energy: -176.791640
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -35.415
flat angles C4'-P-C4' energy: -33.736
flat angles P-C4'-P energy: -27.073
tors. eta vs tors. theta energy: -50.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -547.947960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.947960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.947960 (E_RNA)
where:
Base-Base interactions energy: -371.650
where: short stacking energy: -161.680
Base-Backbone interact. energy: -0.921
local terms energy: -175.376400
where:
bonds (distance) C4'-P energy: -36.060
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -37.289
flat angles P-C4'-P energy: -23.700
tors. eta vs tors. theta energy: -46.992
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: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -508.154654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.154654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.154654 (E_RNA)
where:
Base-Base interactions energy: -357.908
where: short stacking energy: -158.274
Base-Backbone interact. energy: -0.488
local terms energy: -149.758762
where:
bonds (distance) C4'-P energy: -22.444
bonds (distance) P-C4' energy: -30.245
flat angles C4'-P-C4' energy: -36.974
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -39.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -517.656360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.656360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.656360 (E_RNA)
where:
Base-Base interactions energy: -353.627
where: short stacking energy: -150.536
Base-Backbone interact. energy: 0.359
local terms energy: -164.388324
where:
bonds (distance) C4'-P energy: -29.219
bonds (distance) P-C4' energy: -31.025
flat angles C4'-P-C4' energy: -35.949
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -41.929
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: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -489.669818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.669818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.669818 (E_RNA)
where:
Base-Base interactions energy: -347.612
where: short stacking energy: -135.404
Base-Backbone interact. energy: 0.722
local terms energy: -142.779639
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -30.405
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -38.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -427.764659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.764659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.764659 (E_RNA)
where:
Base-Base interactions energy: -286.247
where: short stacking energy: -111.874
Base-Backbone interact. energy: 0.496
local terms energy: -142.013523
where:
bonds (distance) C4'-P energy: -35.420
bonds (distance) P-C4' energy: -34.763
flat angles C4'-P-C4' energy: -30.127
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -26.671
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: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -358.827432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.827432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.827432 (E_RNA)
where:
Base-Base interactions energy: -231.165
where: short stacking energy: -89.531
Base-Backbone interact. energy: 0.628
local terms energy: -128.290447
where:
bonds (distance) C4'-P energy: -31.163
bonds (distance) P-C4' energy: -29.035
flat angles C4'-P-C4' energy: -32.164
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -184.875445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.875445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.875445 (E_RNA)
where:
Base-Base interactions energy: -84.201
where: short stacking energy: -50.765
Base-Backbone interact. energy: -0.367
local terms energy: -100.307754
where:
bonds (distance) C4'-P energy: -29.950
bonds (distance) P-C4' energy: -26.036
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -15.428
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: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -156.851711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.851711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.851711 (E_RNA)
where:
Base-Base interactions energy: -58.011
where: short stacking energy: -47.111
Base-Backbone interact. energy: 0.519
local terms energy: -99.360130
where:
bonds (distance) C4'-P energy: -27.066
bonds (distance) P-C4' energy: -28.815
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: 0.361
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: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -573.713201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.713201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.713201 (E_RNA)
where:
Base-Base interactions energy: -378.961
where: short stacking energy: -170.532
Base-Backbone interact. energy: 1.263
local terms energy: -196.014931
where:
bonds (distance) C4'-P energy: -35.753
bonds (distance) P-C4' energy: -39.953
flat angles C4'-P-C4' energy: -36.233
flat angles P-C4'-P energy: -24.589
tors. eta vs tors. theta energy: -59.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -526.811757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.811757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.811757 (E_RNA)
where:
Base-Base interactions energy: -338.362
where: short stacking energy: -157.447
Base-Backbone interact. energy: -0.349
local terms energy: -188.101147
where:
bonds (distance) C4'-P energy: -36.743
bonds (distance) P-C4' energy: -36.563
flat angles C4'-P-C4' energy: -37.031
flat angles P-C4'-P energy: -29.355
tors. eta vs tors. theta energy: -48.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -559.032090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.032090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.032090 (E_RNA)
where:
Base-Base interactions energy: -385.161
where: short stacking energy: -171.783
Base-Backbone interact. energy: 1.328
local terms energy: -175.199342
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -33.925
flat angles C4'-P-C4' energy: -33.482
flat angles P-C4'-P energy: -28.872
tors. eta vs tors. theta energy: -50.978
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: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -512.999730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.999730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.999730 (E_RNA)
where:
Base-Base interactions energy: -339.745
where: short stacking energy: -134.444
Base-Backbone interact. energy: -0.544
local terms energy: -172.710281
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -31.772
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -30.688
tors. eta vs tors. theta energy: -41.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -464.454149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.454149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.454149 (E_RNA)
where:
Base-Base interactions energy: -329.187
where: short stacking energy: -129.634
Base-Backbone interact. energy: -0.027
local terms energy: -135.240737
where:
bonds (distance) C4'-P energy: -27.502
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -30.636
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -34.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -467.728867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.728867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.728867 (E_RNA)
where:
Base-Base interactions energy: -304.993
where: short stacking energy: -127.586
Base-Backbone interact. energy: -1.063
local terms energy: -161.673285
where:
bonds (distance) C4'-P energy: -34.026
bonds (distance) P-C4' energy: -31.819
flat angles C4'-P-C4' energy: -33.177
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -38.482
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: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -395.780516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.780516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.780516 (E_RNA)
where:
Base-Base interactions energy: -265.500
where: short stacking energy: -105.821
Base-Backbone interact. energy: -0.049
local terms energy: -130.231037
where:
bonds (distance) C4'-P energy: -27.990
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -28.021
flat angles P-C4'-P energy: -23.675
tors. eta vs tors. theta energy: -22.707
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: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -405.304263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.304263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.304263 (E_RNA)
where:
Base-Base interactions energy: -254.717
where: short stacking energy: -116.104
Base-Backbone interact. energy: -0.709
local terms energy: -149.878124
where:
bonds (distance) C4'-P energy: -28.715
bonds (distance) P-C4' energy: -35.955
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -23.453
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: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -275.017960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.017960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.017960 (E_RNA)
where:
Base-Base interactions energy: -164.870
where: short stacking energy: -82.349
Base-Backbone interact. energy: -0.375
local terms energy: -111.905898
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -35.768
flat angles C4'-P-C4' energy: -29.243
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.133 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -156.773204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.773204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.773204 (E_RNA)
where:
Base-Base interactions energy: -51.751
where: short stacking energy: -33.405
Base-Backbone interact. energy: 0.822
local terms energy: -105.844419
where:
bonds (distance) C4'-P energy: -39.492
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: 1.031
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: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -578.443462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.443462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.443462 (E_RNA)
where:
Base-Base interactions energy: -391.482
where: short stacking energy: -173.804
Base-Backbone interact. energy: 1.177
local terms energy: -189.160806
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -33.379
flat angles C4'-P-C4' energy: -36.692
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -61.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.023 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -577.527226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.527226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.527226 (E_RNA)
where:
Base-Base interactions energy: -395.340
where: short stacking energy: -166.387
Base-Backbone interact. energy: -0.475
local terms energy: -181.712580
where:
bonds (distance) C4'-P energy: -33.204
bonds (distance) P-C4' energy: -36.838
flat angles C4'-P-C4' energy: -36.728
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -53.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -534.012942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.012942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.012942 (E_RNA)
where:
Base-Base interactions energy: -363.604
where: short stacking energy: -150.002
Base-Backbone interact. energy: -0.058
local terms energy: -170.351471
where:
bonds (distance) C4'-P energy: -32.262
bonds (distance) P-C4' energy: -31.807
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -52.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -521.841566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.841566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.841566 (E_RNA)
where:
Base-Base interactions energy: -345.657
where: short stacking energy: -150.862
Base-Backbone interact. energy: -0.160
local terms energy: -176.024295
where:
bonds (distance) C4'-P energy: -31.071
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -39.755
flat angles P-C4'-P energy: -28.452
tors. eta vs tors. theta energy: -49.459
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: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -497.989025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.989025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.989025 (E_RNA)
where:
Base-Base interactions energy: -348.386
where: short stacking energy: -138.818
Base-Backbone interact. energy: 1.004
local terms energy: -150.606752
where:
bonds (distance) C4'-P energy: -31.992
bonds (distance) P-C4' energy: -35.915
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -17.287
tors. eta vs tors. theta energy: -33.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -470.584626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.584626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.584626 (E_RNA)
where:
Base-Base interactions energy: -322.646
where: short stacking energy: -126.176
Base-Backbone interact. energy: -0.219
local terms energy: -147.720153
where:
bonds (distance) C4'-P energy: -27.261
bonds (distance) P-C4' energy: -28.667
flat angles C4'-P-C4' energy: -34.204
flat angles P-C4'-P energy: -20.506
tors. eta vs tors. theta energy: -37.082
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: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -407.792547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.792547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.792547 (E_RNA)
where:
Base-Base interactions energy: -264.356
where: short stacking energy: -106.354
Base-Backbone interact. energy: -0.819
local terms energy: -142.617462
where:
bonds (distance) C4'-P energy: -30.847
bonds (distance) P-C4' energy: -32.261
flat angles C4'-P-C4' energy: -35.784
flat angles P-C4'-P energy: -20.763
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: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -398.209899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.209899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.209899 (E_RNA)
where:
Base-Base interactions energy: -268.429
where: short stacking energy: -102.099
Base-Backbone interact. energy: 0.449
local terms energy: -130.229803
where:
bonds (distance) C4'-P energy: -31.426
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -20.677
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: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -280.498800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.498800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.498800 (E_RNA)
where:
Base-Base interactions energy: -166.302
where: short stacking energy: -81.309
Base-Backbone interact. energy: -0.844
local terms energy: -113.353397
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -32.388
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -154.103051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.103051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.103051 (E_RNA)
where:
Base-Base interactions energy: -63.799
where: short stacking energy: -43.430
Base-Backbone interact. energy: -0.790
local terms energy: -89.513367
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -32.763
flat angles C4'-P-C4' energy: -25.773
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: 3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -576.118325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.118325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.118325 (E_RNA)
where:
Base-Base interactions energy: -404.596
where: short stacking energy: -162.608
Base-Backbone interact. energy: -0.744
local terms energy: -170.777947
where:
bonds (distance) C4'-P energy: -32.880
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -39.952
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -46.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -571.607872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.607872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.607872 (E_RNA)
where:
Base-Base interactions energy: -395.549
where: short stacking energy: -169.675
Base-Backbone interact. energy: 0.461
local terms energy: -176.519780
where:
bonds (distance) C4'-P energy: -29.608
bonds (distance) P-C4' energy: -35.333
flat angles C4'-P-C4' energy: -35.252
flat angles P-C4'-P energy: -26.007
tors. eta vs tors. theta energy: -50.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -534.441901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.441901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.441901 (E_RNA)
where:
Base-Base interactions energy: -361.684
where: short stacking energy: -154.512
Base-Backbone interact. energy: -0.211
local terms energy: -172.546943
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -30.285
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -28.452
tors. eta vs tors. theta energy: -48.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -518.539972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.539972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.539972 (E_RNA)
where:
Base-Base interactions energy: -359.355
where: short stacking energy: -135.466
Base-Backbone interact. energy: -0.524
local terms energy: -158.660995
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -33.371
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -27.985
tors. eta vs tors. theta energy: -48.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -501.889166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.889166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.889166 (E_RNA)
where:
Base-Base interactions energy: -335.756
where: short stacking energy: -142.866
Base-Backbone interact. energy: -1.319
local terms energy: -164.814282
where:
bonds (distance) C4'-P energy: -32.486
bonds (distance) P-C4' energy: -36.403
flat angles C4'-P-C4' energy: -30.014
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -43.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -453.216615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.216615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.216615 (E_RNA)
where:
Base-Base interactions energy: -305.275
where: short stacking energy: -127.548
Base-Backbone interact. energy: -0.553
local terms energy: -148.271213
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -32.264
flat angles C4'-P-C4' energy: -34.489
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -34.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.882 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -397.226652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.226652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.226652 (E_RNA)
where:
Base-Base interactions energy: -253.199
where: short stacking energy: -111.956
Base-Backbone interact. energy: -0.414
local terms energy: -143.613866
where:
bonds (distance) C4'-P energy: -35.268
bonds (distance) P-C4' energy: -25.717
flat angles C4'-P-C4' energy: -25.184
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: -34.465
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: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -397.466639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.466639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.466639 (E_RNA)
where:
Base-Base interactions energy: -254.121
where: short stacking energy: -102.021
Base-Backbone interact. energy: 2.633
local terms energy: -145.978710
where:
bonds (distance) C4'-P energy: -31.936
bonds (distance) P-C4' energy: -35.229
flat angles C4'-P-C4' energy: -36.261
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -26.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -276.633392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.633392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.633392 (E_RNA)
where:
Base-Base interactions energy: -154.074
where: short stacking energy: -76.528
Base-Backbone interact. energy: -0.440
local terms energy: -122.120080
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -41.086
flat angles C4'-P-C4' energy: -26.275
flat angles P-C4'-P energy: -10.576
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: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -155.984510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.984510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.984510 (E_RNA)
where:
Base-Base interactions energy: -69.887
where: short stacking energy: -43.130
Base-Backbone interact. energy: -1.799
local terms energy: -84.298549
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -34.966
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: 10.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -567.510650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.510650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.510650 (E_RNA)
where:
Base-Base interactions energy: -401.027
where: short stacking energy: -159.736
Base-Backbone interact. energy: -1.290
local terms energy: -165.193277
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -29.641
flat angles C4'-P-C4' energy: -37.363
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -51.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -572.417075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.417075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.417075 (E_RNA)
where:
Base-Base interactions energy: -384.849
where: short stacking energy: -172.310
Base-Backbone interact. energy: -1.314
local terms energy: -186.254251
where:
bonds (distance) C4'-P energy: -33.746
bonds (distance) P-C4' energy: -34.187
flat angles C4'-P-C4' energy: -38.770
flat angles P-C4'-P energy: -24.535
tors. eta vs tors. theta energy: -55.016
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: 457
Temperature: 1.000000
Total energy: -531.914545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.914545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.914545 (E_RNA)
where:
Base-Base interactions energy: -360.937
where: short stacking energy: -152.043
Base-Backbone interact. energy: -0.229
local terms energy: -171.818039
where:
bonds (distance) C4'-P energy: -32.129
bonds (distance) P-C4' energy: -34.691
flat angles C4'-P-C4' energy: -34.244
flat angles P-C4'-P energy: -24.857
tors. eta vs tors. theta energy: -45.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.070 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -529.000098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.000098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.000098 (E_RNA)
where:
Base-Base interactions energy: -368.339
where: short stacking energy: -153.115
Base-Backbone interact. energy: -0.147
local terms energy: -160.514154
where:
bonds (distance) C4'-P energy: -30.842
bonds (distance) P-C4' energy: -32.553
flat angles C4'-P-C4' energy: -34.239
flat angles P-C4'-P energy: -20.618
tors. eta vs tors. theta energy: -42.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -479.577376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.577376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.577376 (E_RNA)
where:
Base-Base interactions energy: -330.533
where: short stacking energy: -141.555
Base-Backbone interact. energy: -2.219
local terms energy: -146.825569
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -31.854
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -41.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -472.302516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.302516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.302516 (E_RNA)
where:
Base-Base interactions energy: -331.944
where: short stacking energy: -132.918
Base-Backbone interact. energy: -0.732
local terms energy: -140.446644
where:
bonds (distance) C4'-P energy: -26.847
bonds (distance) P-C4' energy: -29.325
flat angles C4'-P-C4' energy: -29.862
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -37.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.820 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -373.774819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.774819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.774819 (E_RNA)
where:
Base-Base interactions energy: -228.541
where: short stacking energy: -111.145
Base-Backbone interact. energy: -0.451
local terms energy: -144.782990
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -29.992
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -22.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -396.905902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.905902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.905902 (E_RNA)
where:
Base-Base interactions energy: -268.573
where: short stacking energy: -114.507
Base-Backbone interact. energy: 1.888
local terms energy: -132.557472
where:
bonds (distance) C4'-P energy: -24.369
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -31.746
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -22.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.337 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -280.851069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.851069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.851069 (E_RNA)
where:
Base-Base interactions energy: -154.669
where: short stacking energy: -72.989
Base-Backbone interact. energy: -0.519
local terms energy: -125.662451
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -34.776
flat angles C4'-P-C4' energy: -34.398
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -144.447910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.447910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.447910 (E_RNA)
where:
Base-Base interactions energy: -44.909
where: short stacking energy: -37.630
Base-Backbone interact. energy: -1.024
local terms energy: -100.291245
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -33.996
flat angles C4'-P-C4' energy: -22.448
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: 6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.776 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -567.224544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.224544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.224544 (E_RNA)
where:
Base-Base interactions energy: -394.935
where: short stacking energy: -160.462
Base-Backbone interact. energy: -0.726
local terms energy: -171.563097
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -34.192
flat angles C4'-P-C4' energy: -34.562
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -47.820
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: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -561.242170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.242170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.242170 (E_RNA)
where:
Base-Base interactions energy: -378.410
where: short stacking energy: -169.203
Base-Backbone interact. energy: -0.336
local terms energy: -182.496081
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -34.915
flat angles C4'-P-C4' energy: -37.339
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: -51.461
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: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -540.231939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.231939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.231939 (E_RNA)
where:
Base-Base interactions energy: -373.151
where: short stacking energy: -155.206
Base-Backbone interact. energy: -0.617
local terms energy: -166.464303
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -49.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -531.420573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.420573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.420573 (E_RNA)
where:
Base-Base interactions energy: -362.182
where: short stacking energy: -144.076
Base-Backbone interact. energy: 0.115
local terms energy: -169.352724
where:
bonds (distance) C4'-P energy: -28.742
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -41.642
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -42.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -507.126143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.126143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.126143 (E_RNA)
where:
Base-Base interactions energy: -343.093
where: short stacking energy: -136.851
Base-Backbone interact. energy: 1.066
local terms energy: -165.201182
where:
bonds (distance) C4'-P energy: -36.129
bonds (distance) P-C4' energy: -32.497
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -36.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.102 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -462.244865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.244865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.244865 (E_RNA)
where:
Base-Base interactions energy: -306.760
where: short stacking energy: -128.260
Base-Backbone interact. energy: -0.272
local terms energy: -155.212651
where:
bonds (distance) C4'-P energy: -27.106
bonds (distance) P-C4' energy: -32.701
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -23.696
tors. eta vs tors. theta energy: -39.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -386.875264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.875264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.875264 (E_RNA)
where:
Base-Base interactions energy: -247.612
where: short stacking energy: -107.312
Base-Backbone interact. energy: -0.817
local terms energy: -138.699452
where:
bonds (distance) C4'-P energy: -32.182
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -32.270
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -27.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.253 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -334.351573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.351573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.351573 (E_RNA)
where:
Base-Base interactions energy: -214.278
where: short stacking energy: -97.652
Base-Backbone interact. energy: 0.780
local terms energy: -120.853527
where:
bonds (distance) C4'-P energy: -34.445
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -27.490
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -270.497096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.497096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.497096 (E_RNA)
where:
Base-Base interactions energy: -166.076
where: short stacking energy: -66.773
Base-Backbone interact. energy: -1.196
local terms energy: -103.744934
where:
bonds (distance) C4'-P energy: -27.708
bonds (distance) P-C4' energy: -31.551
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.520 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -150.079215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.079215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.079215 (E_RNA)
where:
Base-Base interactions energy: -54.712
where: short stacking energy: -40.690
Base-Backbone interact. energy: -0.612
local terms energy: -94.755164
where:
bonds (distance) C4'-P energy: -31.481
bonds (distance) P-C4' energy: -33.106
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: 4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -583.232197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.232197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.232197 (E_RNA)
where:
Base-Base interactions energy: -397.549
where: short stacking energy: -171.890
Base-Backbone interact. energy: 2.431
local terms energy: -188.113577
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -40.065
flat angles C4'-P-C4' energy: -39.916
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: -47.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -543.303747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.303747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.303747 (E_RNA)
where:
Base-Base interactions energy: -361.336
where: short stacking energy: -151.622
Base-Backbone interact. energy: -1.557
local terms energy: -180.410662
where:
bonds (distance) C4'-P energy: -33.343
bonds (distance) P-C4' energy: -33.991
flat angles C4'-P-C4' energy: -34.039
flat angles P-C4'-P energy: -28.837
tors. eta vs tors. theta energy: -50.201
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: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -545.204788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.204788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.204788 (E_RNA)
where:
Base-Base interactions energy: -365.211
where: short stacking energy: -164.808
Base-Backbone interact. energy: -0.263
local terms energy: -179.730398
where:
bonds (distance) C4'-P energy: -34.719
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -28.548
tors. eta vs tors. theta energy: -46.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -509.527075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.527075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.527075 (E_RNA)
where:
Base-Base interactions energy: -352.083
where: short stacking energy: -135.699
Base-Backbone interact. energy: -0.329
local terms energy: -157.115469
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -27.054
tors. eta vs tors. theta energy: -41.671
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: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -499.599606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.599606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.599606 (E_RNA)
where:
Base-Base interactions energy: -339.885
where: short stacking energy: -128.682
Base-Backbone interact. energy: 0.191
local terms energy: -160.471800
where:
bonds (distance) C4'-P energy: -33.171
bonds (distance) P-C4' energy: -39.462
flat angles C4'-P-C4' energy: -36.049
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -39.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.567 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -456.724483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.724483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.724483 (E_RNA)
where:
Base-Base interactions energy: -299.982
where: short stacking energy: -126.170
Base-Backbone interact. energy: -2.041
local terms energy: -154.701770
where:
bonds (distance) C4'-P energy: -38.775
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -28.890
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -38.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -379.489818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.489818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.489818 (E_RNA)
where:
Base-Base interactions energy: -256.651
where: short stacking energy: -114.407
Base-Backbone interact. energy: -1.292
local terms energy: -121.547383
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -31.165
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -20.861
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: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -290.665438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.665438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.665438 (E_RNA)
where:
Base-Base interactions energy: -168.315
where: short stacking energy: -86.955
Base-Backbone interact. energy: 1.915
local terms energy: -124.265533
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -31.962
flat angles C4'-P-C4' energy: -27.972
flat angles P-C4'-P energy: -16.626
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: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -300.613605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.613605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.613605 (E_RNA)
where:
Base-Base interactions energy: -189.363
where: short stacking energy: -96.221
Base-Backbone interact. energy: 0.791
local terms energy: -112.041886
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -24.247
flat angles C4'-P-C4' energy: -28.062
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -139.986351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.986351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.986351 (E_RNA)
where:
Base-Base interactions energy: -54.718
where: short stacking energy: -47.747
Base-Backbone interact. energy: -0.427
local terms energy: -85.834635
where:
bonds (distance) C4'-P energy: -27.146
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: 2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.993 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -571.910982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.910982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.910982 (E_RNA)
where:
Base-Base interactions energy: -400.815
where: short stacking energy: -159.830
Base-Backbone interact. energy: -1.567
local terms energy: -169.529800
where:
bonds (distance) C4'-P energy: -35.492
bonds (distance) P-C4' energy: -38.183
flat angles C4'-P-C4' energy: -31.311
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -50.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -555.734708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.734708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.734708 (E_RNA)
where:
Base-Base interactions energy: -380.256
where: short stacking energy: -166.287
Base-Backbone interact. energy: 1.085
local terms energy: -176.563901
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -29.986
flat angles C4'-P-C4' energy: -36.220
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -54.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -558.531721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.531721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.531721 (E_RNA)
where:
Base-Base interactions energy: -373.265
where: short stacking energy: -161.134
Base-Backbone interact. energy: -0.272
local terms energy: -184.994282
where:
bonds (distance) C4'-P energy: -39.029
bonds (distance) P-C4' energy: -32.581
flat angles C4'-P-C4' energy: -35.549
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -54.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -524.656038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.656038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.656038 (E_RNA)
where:
Base-Base interactions energy: -367.549
where: short stacking energy: -150.072
Base-Backbone interact. energy: -0.405
local terms energy: -156.702127
where:
bonds (distance) C4'-P energy: -35.116
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -31.994
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -43.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -507.334542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.334542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.334542 (E_RNA)
where:
Base-Base interactions energy: -348.975
where: short stacking energy: -130.762
Base-Backbone interact. energy: -0.422
local terms energy: -157.938076
where:
bonds (distance) C4'-P energy: -30.315
bonds (distance) P-C4' energy: -32.287
flat angles C4'-P-C4' energy: -30.924
flat angles P-C4'-P energy: -28.037
tors. eta vs tors. theta energy: -36.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -461.654047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.654047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.654047 (E_RNA)
where:
Base-Base interactions energy: -299.954
where: short stacking energy: -121.950
Base-Backbone interact. energy: 0.748
local terms energy: -162.447949
where:
bonds (distance) C4'-P energy: -37.508
bonds (distance) P-C4' energy: -33.826
flat angles C4'-P-C4' energy: -34.305
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -38.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -371.669078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.669078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.669078 (E_RNA)
where:
Base-Base interactions energy: -234.354
where: short stacking energy: -96.441
Base-Backbone interact. energy: 0.883
local terms energy: -138.198069
where:
bonds (distance) C4'-P energy: -31.473
bonds (distance) P-C4' energy: -27.937
flat angles C4'-P-C4' energy: -32.593
flat angles P-C4'-P energy: -28.098
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -299.633351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.633351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.633351 (E_RNA)
where:
Base-Base interactions energy: -169.188
where: short stacking energy: -88.683
Base-Backbone interact. energy: 0.688
local terms energy: -131.683264
where:
bonds (distance) C4'-P energy: -30.107
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -26.064
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -22.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.550 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -284.200699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.200699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.200699 (E_RNA)
where:
Base-Base interactions energy: -161.793
where: short stacking energy: -78.786
Base-Backbone interact. energy: 0.109
local terms energy: -122.516767
where:
bonds (distance) C4'-P energy: -25.182
bonds (distance) P-C4' energy: -26.729
flat angles C4'-P-C4' energy: -35.739
flat angles P-C4'-P energy: -15.368
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -164.621359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.621359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.621359 (E_RNA)
where:
Base-Base interactions energy: -65.719
where: short stacking energy: -62.188
Base-Backbone interact. energy: -0.533
local terms energy: -98.451174
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -19.067
flat angles C4'-P-C4' energy: -24.197
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -14.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.082 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -589.133408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.133408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.133408 (E_RNA)
where:
Base-Base interactions energy: -399.744
where: short stacking energy: -169.166
Base-Backbone interact. energy: -0.836
local terms energy: -188.553383
where:
bonds (distance) C4'-P energy: -37.143
bonds (distance) P-C4' energy: -36.239
flat angles C4'-P-C4' energy: -36.961
flat angles P-C4'-P energy: -27.362
tors. eta vs tors. theta energy: -50.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -569.220697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.220697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.220697 (E_RNA)
where:
Base-Base interactions energy: -391.809
where: short stacking energy: -170.574
Base-Backbone interact. energy: -0.237
local terms energy: -177.175602
where:
bonds (distance) C4'-P energy: -29.561
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -39.999
flat angles P-C4'-P energy: -28.709
tors. eta vs tors. theta energy: -49.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -563.035487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.035487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.035487 (E_RNA)
where:
Base-Base interactions energy: -373.719
where: short stacking energy: -170.887
Base-Backbone interact. energy: -0.039
local terms energy: -189.277488
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -35.915
flat angles C4'-P-C4' energy: -37.480
flat angles P-C4'-P energy: -25.991
tors. eta vs tors. theta energy: -57.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -527.785354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.785354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.785354 (E_RNA)
where:
Base-Base interactions energy: -364.883
where: short stacking energy: -145.200
Base-Backbone interact. energy: -0.120
local terms energy: -162.782374
where:
bonds (distance) C4'-P energy: -36.507
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -29.820
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -44.760
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: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -484.302364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.302364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.302364 (E_RNA)
where:
Base-Base interactions energy: -334.190
where: short stacking energy: -138.380
Base-Backbone interact. energy: -0.415
local terms energy: -149.697828
where:
bonds (distance) C4'-P energy: -26.454
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -42.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -447.277087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.277087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.277087 (E_RNA)
where:
Base-Base interactions energy: -284.728
where: short stacking energy: -121.560
Base-Backbone interact. energy: 0.233
local terms energy: -162.782011
where:
bonds (distance) C4'-P energy: -37.322
bonds (distance) P-C4' energy: -33.838
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -29.318
tors. eta vs tors. theta energy: -31.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -409.330775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.330775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.330775 (E_RNA)
where:
Base-Base interactions energy: -272.331
where: short stacking energy: -112.179
Base-Backbone interact. energy: -0.396
local terms energy: -136.603039
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -25.288
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: -35.900
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: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -305.728793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.728793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.728793 (E_RNA)
where:
Base-Base interactions energy: -190.548
where: short stacking energy: -93.358
Base-Backbone interact. energy: -1.009
local terms energy: -114.171734
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -17.736
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -274.131160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.131160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.131160 (E_RNA)
where:
Base-Base interactions energy: -156.115
where: short stacking energy: -82.118
Base-Backbone interact. energy: -0.703
local terms energy: -117.312515
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -23.761
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -22.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -144.331193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.331193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.331193 (E_RNA)
where:
Base-Base interactions energy: -60.698
where: short stacking energy: -40.676
Base-Backbone interact. energy: -1.390
local terms energy: -82.242675
where:
bonds (distance) C4'-P energy: -33.333
bonds (distance) P-C4' energy: -30.373
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -1.940
tors. eta vs tors. theta energy: 6.865
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: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -584.437536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.437536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.437536 (E_RNA)
where:
Base-Base interactions energy: -412.263
where: short stacking energy: -172.195
Base-Backbone interact. energy: -0.618
local terms energy: -171.555941
where:
bonds (distance) C4'-P energy: -29.578
bonds (distance) P-C4' energy: -38.340
flat angles C4'-P-C4' energy: -35.829
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -49.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -574.401808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.401808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.401808 (E_RNA)
where:
Base-Base interactions energy: -382.355
where: short stacking energy: -171.448
Base-Backbone interact. energy: 0.637
local terms energy: -192.683532
where:
bonds (distance) C4'-P energy: -37.418
bonds (distance) P-C4' energy: -36.937
flat angles C4'-P-C4' energy: -36.533
flat angles P-C4'-P energy: -27.525
tors. eta vs tors. theta energy: -54.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -539.076094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.076094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.076094 (E_RNA)
where:
Base-Base interactions energy: -363.099
where: short stacking energy: -159.204
Base-Backbone interact. energy: 0.878
local terms energy: -176.854962
where:
bonds (distance) C4'-P energy: -30.267
bonds (distance) P-C4' energy: -34.026
flat angles C4'-P-C4' energy: -33.822
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -54.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -513.686888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.686888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.686888 (E_RNA)
where:
Base-Base interactions energy: -352.375
where: short stacking energy: -137.354
Base-Backbone interact. energy: -0.222
local terms energy: -161.090171
where:
bonds (distance) C4'-P energy: -34.437
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -32.930
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -39.205
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: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -512.543421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.543421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.543421 (E_RNA)
where:
Base-Base interactions energy: -362.582
where: short stacking energy: -149.457
Base-Backbone interact. energy: -0.440
local terms energy: -149.521058
where:
bonds (distance) C4'-P energy: -26.931
bonds (distance) P-C4' energy: -29.608
flat angles C4'-P-C4' energy: -30.839
flat angles P-C4'-P energy: -22.683
tors. eta vs tors. theta energy: -39.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -453.994613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.994613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.994613 (E_RNA)
where:
Base-Base interactions energy: -292.606
where: short stacking energy: -130.600
Base-Backbone interact. energy: -0.207
local terms energy: -161.181408
where:
bonds (distance) C4'-P energy: -35.403
bonds (distance) P-C4' energy: -30.602
flat angles C4'-P-C4' energy: -35.738
flat angles P-C4'-P energy: -23.113
tors. eta vs tors. theta energy: -36.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -427.762335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.762335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.762335 (E_RNA)
where:
Base-Base interactions energy: -298.421
where: short stacking energy: -135.935
Base-Backbone interact. energy: -0.777
local terms energy: -128.564983
where:
bonds (distance) C4'-P energy: -31.942
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -26.164
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -35.141
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: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -289.002424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.002424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.002424 (E_RNA)
where:
Base-Base interactions energy: -161.453
where: short stacking energy: -72.684
Base-Backbone interact. energy: 0.193
local terms energy: -127.742587
where:
bonds (distance) C4'-P energy: -29.711
bonds (distance) P-C4' energy: -34.504
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -10.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -316.776852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.776852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.776852 (E_RNA)
where:
Base-Base interactions energy: -184.613
where: short stacking energy: -106.858
Base-Backbone interact. energy: -0.362
local terms energy: -131.801290
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -35.741
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: -25.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -159.045466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.045466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.045466 (E_RNA)
where:
Base-Base interactions energy: -85.364
where: short stacking energy: -37.172
Base-Backbone interact. energy: -0.190
local terms energy: -73.491682
where:
bonds (distance) C4'-P energy: -29.350
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: 9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -568.471925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.471925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.471925 (E_RNA)
where:
Base-Base interactions energy: -397.021
where: short stacking energy: -167.669
Base-Backbone interact. energy: -0.793
local terms energy: -170.657943
where:
bonds (distance) C4'-P energy: -34.945
bonds (distance) P-C4' energy: -31.790
flat angles C4'-P-C4' energy: -37.029
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -45.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -560.820224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.820224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.820224 (E_RNA)
where:
Base-Base interactions energy: -382.229
where: short stacking energy: -169.434
Base-Backbone interact. energy: -0.722
local terms energy: -179.083606
where:
bonds (distance) C4'-P energy: -31.589
bonds (distance) P-C4' energy: -33.924
flat angles C4'-P-C4' energy: -36.509
flat angles P-C4'-P energy: -25.697
tors. eta vs tors. theta energy: -51.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.214 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -549.113030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.113030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.113030 (E_RNA)
where:
Base-Base interactions energy: -370.706
where: short stacking energy: -157.392
Base-Backbone interact. energy: -1.206
local terms energy: -177.200569
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -39.632
flat angles C4'-P-C4' energy: -33.135
flat angles P-C4'-P energy: -29.497
tors. eta vs tors. theta energy: -46.868
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: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -509.785994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.785994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.785994 (E_RNA)
where:
Base-Base interactions energy: -349.926
where: short stacking energy: -139.547
Base-Backbone interact. energy: 1.149
local terms energy: -161.008945
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -36.253
flat angles C4'-P-C4' energy: -38.295
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -40.783
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: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -505.846152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.846152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.846152 (E_RNA)
where:
Base-Base interactions energy: -361.779
where: short stacking energy: -142.625
Base-Backbone interact. energy: -0.374
local terms energy: -143.693315
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -34.779
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -38.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -444.081506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.081506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.081506 (E_RNA)
where:
Base-Base interactions energy: -292.044
where: short stacking energy: -127.817
Base-Backbone interact. energy: 0.016
local terms energy: -152.053554
where:
bonds (distance) C4'-P energy: -31.731
bonds (distance) P-C4' energy: -34.289
flat angles C4'-P-C4' energy: -28.640
flat angles P-C4'-P energy: -18.995
tors. eta vs tors. theta energy: -38.399
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: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -458.520319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.520319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.520319 (E_RNA)
where:
Base-Base interactions energy: -314.316
where: short stacking energy: -131.286
Base-Backbone interact. energy: -0.067
local terms energy: -144.136474
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -31.300
flat angles C4'-P-C4' energy: -34.888
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -33.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -297.059916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.059916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.059916 (E_RNA)
where:
Base-Base interactions energy: -172.717
where: short stacking energy: -79.355
Base-Backbone interact. energy: -0.149
local terms energy: -124.194210
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -25.916
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -288.865616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.865616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.865616 (E_RNA)
where:
Base-Base interactions energy: -170.922
where: short stacking energy: -75.804
Base-Backbone interact. energy: -0.513
local terms energy: -117.430396
where:
bonds (distance) C4'-P energy: -25.342
bonds (distance) P-C4' energy: -31.437
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -13.733
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: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -147.792335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.792335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.792335 (E_RNA)
where:
Base-Base interactions energy: -56.959
where: short stacking energy: -43.476
Base-Backbone interact. energy: 0.843
local terms energy: -91.676603
where:
bonds (distance) C4'-P energy: -24.737
bonds (distance) P-C4' energy: -34.612
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: 7.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -563.845752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.845752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.845752 (E_RNA)
where:
Base-Base interactions energy: -393.915
where: short stacking energy: -162.824
Base-Backbone interact. energy: -0.336
local terms energy: -169.594988
where:
bonds (distance) C4'-P energy: -32.635
bonds (distance) P-C4' energy: -31.653
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -28.608
tors. eta vs tors. theta energy: -43.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -556.390719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.390719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.390719 (E_RNA)
where:
Base-Base interactions energy: -381.942
where: short stacking energy: -161.321
Base-Backbone interact. energy: -0.185
local terms energy: -174.481159
where:
bonds (distance) C4'-P energy: -33.387
bonds (distance) P-C4' energy: -32.886
flat angles C4'-P-C4' energy: -33.167
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -51.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.217 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -521.691636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.691636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.691636 (E_RNA)
where:
Base-Base interactions energy: -361.284
where: short stacking energy: -155.696
Base-Backbone interact. energy: -0.962
local terms energy: -159.445454
where:
bonds (distance) C4'-P energy: -34.114
bonds (distance) P-C4' energy: -32.101
flat angles C4'-P-C4' energy: -32.999
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -44.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -515.789468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.789468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.789468 (E_RNA)
where:
Base-Base interactions energy: -355.540
where: short stacking energy: -151.929
Base-Backbone interact. energy: -0.607
local terms energy: -159.642276
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -30.404
flat angles C4'-P-C4' energy: -34.533
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -44.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -511.569712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.569712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.569712 (E_RNA)
where:
Base-Base interactions energy: -350.531
where: short stacking energy: -146.415
Base-Backbone interact. energy: 2.064
local terms energy: -163.102917
where:
bonds (distance) C4'-P energy: -29.006
bonds (distance) P-C4' energy: -32.300
flat angles C4'-P-C4' energy: -35.909
flat angles P-C4'-P energy: -25.193
tors. eta vs tors. theta energy: -40.695
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: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -461.832714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.832714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.832714 (E_RNA)
where:
Base-Base interactions energy: -304.243
where: short stacking energy: -145.884
Base-Backbone interact. energy: 0.302
local terms energy: -158.472017
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -31.040
flat angles C4'-P-C4' energy: -34.510
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -44.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.580 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -420.617881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.617881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.617881 (E_RNA)
where:
Base-Base interactions energy: -280.341
where: short stacking energy: -114.203
Base-Backbone interact. energy: -0.317
local terms energy: -139.960098
where:
bonds (distance) C4'-P energy: -29.003
bonds (distance) P-C4' energy: -33.173
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -26.299
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: 464
Temperature: 1.250000
Total energy: -308.834914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.834914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.834914 (E_RNA)
where:
Base-Base interactions energy: -179.281
where: short stacking energy: -85.384
Base-Backbone interact. energy: -1.092
local terms energy: -128.462779
where:
bonds (distance) C4'-P energy: -28.913
bonds (distance) P-C4' energy: -33.420
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -14.005
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: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -283.797040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.797040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.797040 (E_RNA)
where:
Base-Base interactions energy: -163.042
where: short stacking energy: -81.067
Base-Backbone interact. energy: -0.924
local terms energy: -119.830390
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -162.215327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.215327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.215327 (E_RNA)
where:
Base-Base interactions energy: -59.505
where: short stacking energy: -32.169
Base-Backbone interact. energy: 1.457
local terms energy: -104.284732
where:
bonds (distance) C4'-P energy: -25.978
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -562.762394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.762394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.762394 (E_RNA)
where:
Base-Base interactions energy: -394.042
where: short stacking energy: -156.222
Base-Backbone interact. energy: -0.281
local terms energy: -168.439350
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -38.398
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -41.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -555.678874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.678874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.678874 (E_RNA)
where:
Base-Base interactions energy: -371.050
where: short stacking energy: -170.241
Base-Backbone interact. energy: -0.053
local terms energy: -185.559157
where:
bonds (distance) C4'-P energy: -33.481
bonds (distance) P-C4' energy: -33.089
flat angles C4'-P-C4' energy: -34.379
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -54.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.983 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -523.561407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.561407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.561407 (E_RNA)
where:
Base-Base interactions energy: -358.309
where: short stacking energy: -148.556
Base-Backbone interact. energy: -0.223
local terms energy: -165.029763
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -33.385
flat angles C4'-P-C4' energy: -35.936
flat angles P-C4'-P energy: -21.332
tors. eta vs tors. theta energy: -42.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -520.708217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.708217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.708217 (E_RNA)
where:
Base-Base interactions energy: -355.950
where: short stacking energy: -144.251
Base-Backbone interact. energy: -0.405
local terms energy: -164.353457
where:
bonds (distance) C4'-P energy: -37.546
bonds (distance) P-C4' energy: -30.028
flat angles C4'-P-C4' energy: -38.653
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -38.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -492.184798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.184798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.184798 (E_RNA)
where:
Base-Base interactions energy: -328.524
where: short stacking energy: -138.290
Base-Backbone interact. energy: -0.235
local terms energy: -163.424963
where:
bonds (distance) C4'-P energy: -34.240
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -20.977
tors. eta vs tors. theta energy: -43.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -421.782860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.782860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.782860 (E_RNA)
where:
Base-Base interactions energy: -282.646
where: short stacking energy: -124.627
Base-Backbone interact. energy: -0.317
local terms energy: -138.819912
where:
bonds (distance) C4'-P energy: -28.152
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -30.711
flat angles P-C4'-P energy: -19.027
tors. eta vs tors. theta energy: -34.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -435.658905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.658905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.658905 (E_RNA)
where:
Base-Base interactions energy: -291.978
where: short stacking energy: -122.998
Base-Backbone interact. energy: -0.520
local terms energy: -143.160797
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -28.011
flat angles C4'-P-C4' energy: -33.081
flat angles P-C4'-P energy: -19.770
tors. eta vs tors. theta energy: -36.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -299.651713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.651713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.651713 (E_RNA)
where:
Base-Base interactions energy: -183.426
where: short stacking energy: -76.817
Base-Backbone interact. energy: 0.383
local terms energy: -116.608764
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -30.454
flat angles C4'-P-C4' energy: -27.910
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -319.380945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.380945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.380945 (E_RNA)
where:
Base-Base interactions energy: -200.904
where: short stacking energy: -91.777
Base-Backbone interact. energy: -0.851
local terms energy: -117.625540
where:
bonds (distance) C4'-P energy: -30.391
bonds (distance) P-C4' energy: -31.263
flat angles C4'-P-C4' energy: -29.455
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -8.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -159.567870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.567870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.567870 (E_RNA)
where:
Base-Base interactions energy: -58.798
where: short stacking energy: -50.404
Base-Backbone interact. energy: -0.313
local terms energy: -100.457138
where:
bonds (distance) C4'-P energy: -29.123
bonds (distance) P-C4' energy: -37.094
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: 0.155
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: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -571.525372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.525372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.525372 (E_RNA)
where:
Base-Base interactions energy: -377.236
where: short stacking energy: -172.837
Base-Backbone interact. energy: -0.016
local terms energy: -194.273865
where:
bonds (distance) C4'-P energy: -39.152
bonds (distance) P-C4' energy: -37.054
flat angles C4'-P-C4' energy: -36.598
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: -52.847
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: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -573.624262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.624262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.624262 (E_RNA)
where:
Base-Base interactions energy: -401.920
where: short stacking energy: -163.274
Base-Backbone interact. energy: -0.501
local terms energy: -171.203412
where:
bonds (distance) C4'-P energy: -33.186
bonds (distance) P-C4' energy: -35.986
flat angles C4'-P-C4' energy: -35.257
flat angles P-C4'-P energy: -21.687
tors. eta vs tors. theta energy: -45.087
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: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -534.997363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.997363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.997363 (E_RNA)
where:
Base-Base interactions energy: -361.468
where: short stacking energy: -150.357
Base-Backbone interact. energy: -0.543
local terms energy: -173.333242
where:
bonds (distance) C4'-P energy: -34.916
bonds (distance) P-C4' energy: -33.476
flat angles C4'-P-C4' energy: -37.203
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -45.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.347 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -521.009980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.009980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.009980 (E_RNA)
where:
Base-Base interactions energy: -368.811
where: short stacking energy: -150.957
Base-Backbone interact. energy: -0.572
local terms energy: -151.626232
where:
bonds (distance) C4'-P energy: -29.972
bonds (distance) P-C4' energy: -25.387
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -20.692
tors. eta vs tors. theta energy: -44.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -496.831702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.831702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.831702 (E_RNA)
where:
Base-Base interactions energy: -330.329
where: short stacking energy: -144.256
Base-Backbone interact. energy: -0.670
local terms energy: -165.863158
where:
bonds (distance) C4'-P energy: -30.599
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -33.747
flat angles P-C4'-P energy: -27.312
tors. eta vs tors. theta energy: -45.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -434.011114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.011114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.011114 (E_RNA)
where:
Base-Base interactions energy: -286.025
where: short stacking energy: -118.885
Base-Backbone interact. energy: -0.850
local terms energy: -147.136289
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -34.841
flat angles C4'-P-C4' energy: -35.692
flat angles P-C4'-P energy: -17.392
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: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -403.790840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.790840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.790840 (E_RNA)
where:
Base-Base interactions energy: -270.672
where: short stacking energy: -119.444
Base-Backbone interact. energy: -1.160
local terms energy: -131.958723
where:
bonds (distance) C4'-P energy: -26.659
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -30.308
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -26.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -291.960572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.960572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.960572 (E_RNA)
where:
Base-Base interactions energy: -169.539
where: short stacking energy: -92.946
Base-Backbone interact. energy: -0.925
local terms energy: -121.496990
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -22.653
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -297.235120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.235120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.235120 (E_RNA)
where:
Base-Base interactions energy: -188.772
where: short stacking energy: -92.887
Base-Backbone interact. energy: 0.836
local terms energy: -109.391661
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -22.953
flat angles C4'-P-C4' energy: -22.905
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.092 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -145.164817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.164817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.164817 (E_RNA)
where:
Base-Base interactions energy: -51.607
where: short stacking energy: -27.448
Base-Backbone interact. energy: -0.207
local terms energy: -93.350678
where:
bonds (distance) C4'-P energy: -32.354
bonds (distance) P-C4' energy: -30.188
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: 9.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -567.910551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.910551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.910551 (E_RNA)
where:
Base-Base interactions energy: -393.762
where: short stacking energy: -172.029
Base-Backbone interact. energy: -0.064
local terms energy: -178.513567
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -38.405
flat angles C4'-P-C4' energy: -34.188
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -50.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.429 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -544.341996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.341996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.341996 (E_RNA)
where:
Base-Base interactions energy: -368.029
where: short stacking energy: -152.543
Base-Backbone interact. energy: -0.043
local terms energy: -176.270587
where:
bonds (distance) C4'-P energy: -32.781
bonds (distance) P-C4' energy: -36.547
flat angles C4'-P-C4' energy: -37.332
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -48.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -548.602064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.602064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.602064 (E_RNA)
where:
Base-Base interactions energy: -379.875
where: short stacking energy: -156.861
Base-Backbone interact. energy: 0.178
local terms energy: -168.905256
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -30.810
flat angles C4'-P-C4' energy: -35.881
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -47.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -530.901586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.901586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.901586 (E_RNA)
where:
Base-Base interactions energy: -363.410
where: short stacking energy: -145.298
Base-Backbone interact. energy: 0.354
local terms energy: -167.845787
where:
bonds (distance) C4'-P energy: -31.019
bonds (distance) P-C4' energy: -30.990
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -26.730
tors. eta vs tors. theta energy: -42.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -490.129583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.129583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.129583 (E_RNA)
where:
Base-Base interactions energy: -322.581
where: short stacking energy: -137.140
Base-Backbone interact. energy: -0.581
local terms energy: -166.967674
where:
bonds (distance) C4'-P energy: -35.951
bonds (distance) P-C4' energy: -35.644
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -44.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -429.074064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.074064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.074064 (E_RNA)
where:
Base-Base interactions energy: -287.065
where: short stacking energy: -125.323
Base-Backbone interact. energy: 1.236
local terms energy: -143.245711
where:
bonds (distance) C4'-P energy: -29.657
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -29.967
flat angles P-C4'-P energy: -22.565
tors. eta vs tors. theta energy: -32.743
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: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -411.212011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.212011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.212011 (E_RNA)
where:
Base-Base interactions energy: -277.215
where: short stacking energy: -122.117
Base-Backbone interact. energy: 3.894
local terms energy: -141.767417
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -30.712
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -30.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.876 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -299.565151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.565151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.565151 (E_RNA)
where:
Base-Base interactions energy: -187.998
where: short stacking energy: -84.919
Base-Backbone interact. energy: -0.109
local terms energy: -111.458906
where:
bonds (distance) C4'-P energy: -24.115
bonds (distance) P-C4' energy: -28.538
flat angles C4'-P-C4' energy: -21.286
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -271.480578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.480578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.480578 (E_RNA)
where:
Base-Base interactions energy: -149.371
where: short stacking energy: -73.097
Base-Backbone interact. energy: -0.645
local terms energy: -121.464844
where:
bonds (distance) C4'-P energy: -22.647
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -33.890
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -10.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -149.637953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.637953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.637953 (E_RNA)
where:
Base-Base interactions energy: -48.167
where: short stacking energy: -46.594
Base-Backbone interact. energy: -0.343
local terms energy: -101.127480
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -27.865
flat angles C4'-P-C4' energy: -36.697
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: 1.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -557.965701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.965701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.965701 (E_RNA)
where:
Base-Base interactions energy: -388.089
where: short stacking energy: -158.608
Base-Backbone interact. energy: -0.225
local terms energy: -170.057683
where:
bonds (distance) C4'-P energy: -36.520
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -20.813
tors. eta vs tors. theta energy: -48.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.405 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -565.280236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.280236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.280236 (E_RNA)
where:
Base-Base interactions energy: -382.101
where: short stacking energy: -166.409
Base-Backbone interact. energy: -0.093
local terms energy: -184.590254
where:
bonds (distance) C4'-P energy: -28.368
bonds (distance) P-C4' energy: -38.408
flat angles C4'-P-C4' energy: -38.302
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -56.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.504 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -539.722016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.722016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.722016 (E_RNA)
where:
Base-Base interactions energy: -375.618
where: short stacking energy: -152.318
Base-Backbone interact. energy: -0.390
local terms energy: -163.714079
where:
bonds (distance) C4'-P energy: -26.714
bonds (distance) P-C4' energy: -35.116
flat angles C4'-P-C4' energy: -39.609
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -42.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -538.047594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.047594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.047594 (E_RNA)
where:
Base-Base interactions energy: -372.256
where: short stacking energy: -143.772
Base-Backbone interact. energy: -0.353
local terms energy: -165.438469
where:
bonds (distance) C4'-P energy: -38.696
bonds (distance) P-C4' energy: -34.051
flat angles C4'-P-C4' energy: -31.344
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -40.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -501.342829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.342829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.342829 (E_RNA)
where:
Base-Base interactions energy: -349.202
where: short stacking energy: -144.125
Base-Backbone interact. energy: -0.473
local terms energy: -151.668007
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -32.458
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -41.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -434.293214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.293214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.293214 (E_RNA)
where:
Base-Base interactions energy: -292.000
where: short stacking energy: -125.766
Base-Backbone interact. energy: 0.188
local terms energy: -143.380186
where:
bonds (distance) C4'-P energy: -30.168
bonds (distance) P-C4' energy: -30.686
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -24.180
tors. eta vs tors. theta energy: -33.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.900 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -418.006496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.006496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.006496 (E_RNA)
where:
Base-Base interactions energy: -276.224
where: short stacking energy: -113.992
Base-Backbone interact. energy: -0.488
local terms energy: -141.534816
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -29.449
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -27.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.240 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -317.878741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.878741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.878741 (E_RNA)
where:
Base-Base interactions energy: -193.139
where: short stacking energy: -95.964
Base-Backbone interact. energy: -0.146
local terms energy: -124.594030
where:
bonds (distance) C4'-P energy: -33.867
bonds (distance) P-C4' energy: -32.769
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -26.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -287.082184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.082184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.082184 (E_RNA)
where:
Base-Base interactions energy: -162.895
where: short stacking energy: -74.752
Base-Backbone interact. energy: -0.323
local terms energy: -123.864480
where:
bonds (distance) C4'-P energy: -30.351
bonds (distance) P-C4' energy: -30.060
flat angles C4'-P-C4' energy: -29.027
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -142.523107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.523107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.523107 (E_RNA)
where:
Base-Base interactions energy: -40.037
where: short stacking energy: -33.490
Base-Backbone interact. energy: -0.900
local terms energy: -101.586634
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -35.236
flat angles C4'-P-C4' energy: -29.267
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: 1.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -570.360061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.360061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.360061 (E_RNA)
where:
Base-Base interactions energy: -393.991
where: short stacking energy: -166.211
Base-Backbone interact. energy: -0.207
local terms energy: -176.161821
where:
bonds (distance) C4'-P energy: -29.428
bonds (distance) P-C4' energy: -32.964
flat angles C4'-P-C4' energy: -36.765
flat angles P-C4'-P energy: -25.083
tors. eta vs tors. theta energy: -51.922
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: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -560.212952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.212952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.212952 (E_RNA)
where:
Base-Base interactions energy: -387.729
where: short stacking energy: -173.124
Base-Backbone interact. energy: 0.316
local terms energy: -172.799313
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -36.355
flat angles P-C4'-P energy: -26.612
tors. eta vs tors. theta energy: -47.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -512.659338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.659338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.659338 (E_RNA)
where:
Base-Base interactions energy: -351.090
where: short stacking energy: -148.681
Base-Backbone interact. energy: -0.508
local terms energy: -161.061184
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -34.556
flat angles C4'-P-C4' energy: -38.511
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -38.010
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: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -529.644566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.644566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.644566 (E_RNA)
where:
Base-Base interactions energy: -368.476
where: short stacking energy: -150.440
Base-Backbone interact. energy: 1.527
local terms energy: -163.329809
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -32.616
flat angles C4'-P-C4' energy: -39.350
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -48.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.635 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -513.636200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.636200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.636200 (E_RNA)
where:
Base-Base interactions energy: -362.652
where: short stacking energy: -142.009
Base-Backbone interact. energy: -1.468
local terms energy: -149.515907
where:
bonds (distance) C4'-P energy: -28.421
bonds (distance) P-C4' energy: -27.908
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -41.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -421.920375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.920375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.920375 (E_RNA)
where:
Base-Base interactions energy: -278.757
where: short stacking energy: -122.073
Base-Backbone interact. energy: -0.439
local terms energy: -142.724938
where:
bonds (distance) C4'-P energy: -25.795
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -31.262
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -36.178
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: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -402.590888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.590888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.590888 (E_RNA)
where:
Base-Base interactions energy: -264.577
where: short stacking energy: -105.271
Base-Backbone interact. energy: -0.357
local terms energy: -137.656999
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -32.035
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: -24.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -304.926938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.926938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.926938 (E_RNA)
where:
Base-Base interactions energy: -175.703
where: short stacking energy: -95.474
Base-Backbone interact. energy: -0.542
local terms energy: -128.681916
where:
bonds (distance) C4'-P energy: -27.436
bonds (distance) P-C4' energy: -30.011
flat angles C4'-P-C4' energy: -34.539
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -287.349080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.349080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.349080 (E_RNA)
where:
Base-Base interactions energy: -161.833
where: short stacking energy: -80.364
Base-Backbone interact. energy: -1.226
local terms energy: -124.784005
where:
bonds (distance) C4'-P energy: -28.483
bonds (distance) P-C4' energy: -31.024
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -20.092
tors. eta vs tors. theta energy: -13.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.494 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -145.525757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.525757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.525757 (E_RNA)
where:
Base-Base interactions energy: -55.098
where: short stacking energy: -41.244
Base-Backbone interact. energy: -1.332
local terms energy: -90.727745
where:
bonds (distance) C4'-P energy: -29.486
bonds (distance) P-C4' energy: -31.102
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.991
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: 1.632 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -589.856081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.856081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.856081 (E_RNA)
where:
Base-Base interactions energy: -405.702
where: short stacking energy: -181.204
Base-Backbone interact. energy: 0.263
local terms energy: -184.416774
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -32.025
flat angles C4'-P-C4' energy: -36.845
flat angles P-C4'-P energy: -29.094
tors. eta vs tors. theta energy: -54.196
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: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -559.370817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.370817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.370817 (E_RNA)
where:
Base-Base interactions energy: -378.710
where: short stacking energy: -165.323
Base-Backbone interact. energy: -0.144
local terms energy: -180.837218
where:
bonds (distance) C4'-P energy: -31.075
bonds (distance) P-C4' energy: -36.233
flat angles C4'-P-C4' energy: -40.529
flat angles P-C4'-P energy: -27.267
tors. eta vs tors. theta energy: -45.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.321 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -530.771621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.771621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.771621 (E_RNA)
where:
Base-Base interactions energy: -362.237
where: short stacking energy: -162.783
Base-Backbone interact. energy: -0.532
local terms energy: -168.002330
where:
bonds (distance) C4'-P energy: -29.699
bonds (distance) P-C4' energy: -33.550
flat angles C4'-P-C4' energy: -32.066
flat angles P-C4'-P energy: -23.414
tors. eta vs tors. theta energy: -49.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -516.904338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.904338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.904338 (E_RNA)
where:
Base-Base interactions energy: -343.932
where: short stacking energy: -144.960
Base-Backbone interact. energy: -0.097
local terms energy: -172.875421
where:
bonds (distance) C4'-P energy: -35.634
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -36.211
flat angles P-C4'-P energy: -27.509
tors. eta vs tors. theta energy: -40.427
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: 5, replica: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -526.921935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.921935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.921935 (E_RNA)
where:
Base-Base interactions energy: -358.424
where: short stacking energy: -144.126
Base-Backbone interact. energy: 1.124
local terms energy: -169.621586
where:
bonds (distance) C4'-P energy: -32.777
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -37.805
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -43.448
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: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -415.430516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.430516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.430516 (E_RNA)
where:
Base-Base interactions energy: -275.562
where: short stacking energy: -118.090
Base-Backbone interact. energy: -0.909
local terms energy: -138.959795
where:
bonds (distance) C4'-P energy: -31.224
bonds (distance) P-C4' energy: -27.914
flat angles C4'-P-C4' energy: -32.642
flat angles P-C4'-P energy: -16.193
tors. eta vs tors. theta energy: -30.987
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: 470
Temperature: 1.200000
Total energy: -402.552554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.552554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.552554 (E_RNA)
where:
Base-Base interactions energy: -266.674
where: short stacking energy: -114.543
Base-Backbone interact. energy: -0.144
local terms energy: -135.734245
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -31.863
flat angles C4'-P-C4' energy: -34.074
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -28.782
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: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -309.256689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.256689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.256689 (E_RNA)
where:
Base-Base interactions energy: -180.236
where: short stacking energy: -94.906
Base-Backbone interact. energy: -1.307
local terms energy: -127.713240
where:
bonds (distance) C4'-P energy: -24.118
bonds (distance) P-C4' energy: -29.885
flat angles C4'-P-C4' energy: -34.557
flat angles P-C4'-P energy: -22.247
tors. eta vs tors. theta energy: -16.906
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: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -287.194764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.194764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.194764 (E_RNA)
where:
Base-Base interactions energy: -174.736
where: short stacking energy: -81.282
Base-Backbone interact. energy: 0.862
local terms energy: -113.320149
where:
bonds (distance) C4'-P energy: -31.414
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -13.792
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: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -155.493938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.493938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.493938 (E_RNA)
where:
Base-Base interactions energy: -49.576
where: short stacking energy: -48.460
Base-Backbone interact. energy: 0.173
local terms energy: -106.091443
where:
bonds (distance) C4'-P energy: -27.970
bonds (distance) P-C4' energy: -31.765
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -564.428029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.428029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.428029 (E_RNA)
where:
Base-Base interactions energy: -390.423
where: short stacking energy: -166.356
Base-Backbone interact. energy: 0.106
local terms energy: -175.469148
where:
bonds (distance) C4'-P energy: -34.649
bonds (distance) P-C4' energy: -30.012
flat angles C4'-P-C4' energy: -35.766
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: -49.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.358 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -540.334996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.334996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.334996 (E_RNA)
where:
Base-Base interactions energy: -363.235
where: short stacking energy: -149.510
Base-Backbone interact. energy: -1.086
local terms energy: -176.014750
where:
bonds (distance) C4'-P energy: -33.098
bonds (distance) P-C4' energy: -42.663
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -43.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -543.447903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.447903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.447903 (E_RNA)
where:
Base-Base interactions energy: -373.056
where: short stacking energy: -158.785
Base-Backbone interact. energy: -0.099
local terms energy: -170.292588
where:
bonds (distance) C4'-P energy: -31.103
bonds (distance) P-C4' energy: -32.011
flat angles C4'-P-C4' energy: -33.451
flat angles P-C4'-P energy: -23.404
tors. eta vs tors. theta energy: -50.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -546.940931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.940931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.940931 (E_RNA)
where:
Base-Base interactions energy: -373.167
where: short stacking energy: -158.085
Base-Backbone interact. energy: -1.245
local terms energy: -172.528600
where:
bonds (distance) C4'-P energy: -38.225
bonds (distance) P-C4' energy: -28.977
flat angles C4'-P-C4' energy: -35.402
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -51.862
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: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -501.211188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.211188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.211188 (E_RNA)
where:
Base-Base interactions energy: -330.843
where: short stacking energy: -143.801
Base-Backbone interact. energy: 1.087
local terms energy: -171.454590
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -33.492
flat angles C4'-P-C4' energy: -36.361
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -44.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -429.224573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.224573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.224573 (E_RNA)
where:
Base-Base interactions energy: -277.367
where: short stacking energy: -109.811
Base-Backbone interact. energy: -0.306
local terms energy: -151.551502
where:
bonds (distance) C4'-P energy: -31.080
bonds (distance) P-C4' energy: -34.491
flat angles C4'-P-C4' energy: -35.164
flat angles P-C4'-P energy: -19.624
tors. eta vs tors. theta energy: -31.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -397.754973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.754973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.754973 (E_RNA)
where:
Base-Base interactions energy: -260.498
where: short stacking energy: -113.603
Base-Backbone interact. energy: -0.431
local terms energy: -136.826290
where:
bonds (distance) C4'-P energy: -32.976
bonds (distance) P-C4' energy: -35.010
flat angles C4'-P-C4' energy: -27.266
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -27.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -287.843820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.843820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.843820 (E_RNA)
where:
Base-Base interactions energy: -175.048
where: short stacking energy: -89.869
Base-Backbone interact. energy: -0.614
local terms energy: -112.182246
where:
bonds (distance) C4'-P energy: -34.501
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -16.406
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -288.550588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.550588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.550588 (E_RNA)
where:
Base-Base interactions energy: -160.400
where: short stacking energy: -81.069
Base-Backbone interact. energy: -1.531
local terms energy: -126.620060
where:
bonds (distance) C4'-P energy: -35.385
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: -14.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -162.768031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.768031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.768031 (E_RNA)
where:
Base-Base interactions energy: -54.766
where: short stacking energy: -36.950
Base-Backbone interact. energy: -1.063
local terms energy: -106.939384
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -36.621
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: 1.601
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: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -565.413959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.413959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.413959 (E_RNA)
where:
Base-Base interactions energy: -387.595
where: short stacking energy: -174.291
Base-Backbone interact. energy: 1.710
local terms energy: -179.528899
where:
bonds (distance) C4'-P energy: -34.748
bonds (distance) P-C4' energy: -33.122
flat angles C4'-P-C4' energy: -39.518
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: -49.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -568.864429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.864429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.864429 (E_RNA)
where:
Base-Base interactions energy: -382.093
where: short stacking energy: -157.483
Base-Backbone interact. energy: -0.357
local terms energy: -187.253121
where:
bonds (distance) C4'-P energy: -37.126
bonds (distance) P-C4' energy: -36.549
flat angles C4'-P-C4' energy: -39.379
flat angles P-C4'-P energy: -29.263
tors. eta vs tors. theta energy: -44.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.839 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -558.963707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.963707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.963707 (E_RNA)
where:
Base-Base interactions energy: -387.573
where: short stacking energy: -158.843
Base-Backbone interact. energy: -0.878
local terms energy: -170.513444
where:
bonds (distance) C4'-P energy: -33.940
bonds (distance) P-C4' energy: -31.061
flat angles C4'-P-C4' energy: -36.010
flat angles P-C4'-P energy: -23.829
tors. eta vs tors. theta energy: -45.673
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: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -523.893478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.893478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.893478 (E_RNA)
where:
Base-Base interactions energy: -357.272
where: short stacking energy: -141.604
Base-Backbone interact. energy: -0.208
local terms energy: -166.413965
where:
bonds (distance) C4'-P energy: -32.550
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -33.323
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -46.438
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: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -492.340260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.340260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.340260 (E_RNA)
where:
Base-Base interactions energy: -331.593
where: short stacking energy: -135.769
Base-Backbone interact. energy: -0.461
local terms energy: -160.286114
where:
bonds (distance) C4'-P energy: -34.189
bonds (distance) P-C4' energy: -31.019
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -37.182
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: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -425.933528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.933528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.933528 (E_RNA)
where:
Base-Base interactions energy: -283.527
where: short stacking energy: -126.044
Base-Backbone interact. energy: -0.353
local terms energy: -142.053616
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -31.783
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -32.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -418.043359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.043359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.043359 (E_RNA)
where:
Base-Base interactions energy: -270.803
where: short stacking energy: -117.372
Base-Backbone interact. energy: -0.757
local terms energy: -146.483389
where:
bonds (distance) C4'-P energy: -27.723
bonds (distance) P-C4' energy: -31.420
flat angles C4'-P-C4' energy: -30.182
flat angles P-C4'-P energy: -23.172
tors. eta vs tors. theta energy: -33.985
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: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -303.865322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.865322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.865322 (E_RNA)
where:
Base-Base interactions energy: -185.642
where: short stacking energy: -95.408
Base-Backbone interact. energy: -0.355
local terms energy: -117.868066
where:
bonds (distance) C4'-P energy: -26.043
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -310.904411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.904411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.904411 (E_RNA)
where:
Base-Base interactions energy: -200.338
where: short stacking energy: -91.768
Base-Backbone interact. energy: 1.682
local terms energy: -112.248512
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -23.586
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -19.214
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: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -139.621758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.621758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.621758 (E_RNA)
where:
Base-Base interactions energy: -40.551
where: short stacking energy: -32.935
Base-Backbone interact. energy: -1.779
local terms energy: -97.749570
where:
bonds (distance) C4'-P energy: -32.665
bonds (distance) P-C4' energy: -25.006
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: 3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.458 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -580.490997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.490997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.490997 (E_RNA)
where:
Base-Base interactions energy: -399.864
where: short stacking energy: -177.724
Base-Backbone interact. energy: -0.904
local terms energy: -179.722527
where:
bonds (distance) C4'-P energy: -33.129
bonds (distance) P-C4' energy: -31.933
flat angles C4'-P-C4' energy: -34.707
flat angles P-C4'-P energy: -26.711
tors. eta vs tors. theta energy: -53.243
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: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -571.782866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.782866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.782866 (E_RNA)
where:
Base-Base interactions energy: -383.772
where: short stacking energy: -159.837
Base-Backbone interact. energy: 3.103
local terms energy: -191.113628
where:
bonds (distance) C4'-P energy: -35.851
bonds (distance) P-C4' energy: -38.777
flat angles C4'-P-C4' energy: -37.578
flat angles P-C4'-P energy: -27.786
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: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -556.045226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.045226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.045226 (E_RNA)
where:
Base-Base interactions energy: -383.163
where: short stacking energy: -159.040
Base-Backbone interact. energy: -0.133
local terms energy: -172.862166
where:
bonds (distance) C4'-P energy: -27.002
bonds (distance) P-C4' energy: -34.748
flat angles C4'-P-C4' energy: -34.628
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -48.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.113 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -511.095403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.095403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.095403 (E_RNA)
where:
Base-Base interactions energy: -355.704
where: short stacking energy: -147.702
Base-Backbone interact. energy: -0.360
local terms energy: -155.031424
where:
bonds (distance) C4'-P energy: -28.228
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -28.890
flat angles P-C4'-P energy: -25.214
tors. eta vs tors. theta energy: -45.764
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: 473
Temperature: 1.100000
Total energy: -502.452439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.452439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.452439 (E_RNA)
where:
Base-Base interactions energy: -347.823
where: short stacking energy: -140.485
Base-Backbone interact. energy: -1.155
local terms energy: -153.474057
where:
bonds (distance) C4'-P energy: -30.510
bonds (distance) P-C4' energy: -35.671
flat angles C4'-P-C4' energy: -35.132
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -42.809
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: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -442.320505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.320505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.320505 (E_RNA)
where:
Base-Base interactions energy: -300.238
where: short stacking energy: -124.660
Base-Backbone interact. energy: 0.403
local terms energy: -142.484968
where:
bonds (distance) C4'-P energy: -29.690
bonds (distance) P-C4' energy: -32.630
flat angles C4'-P-C4' energy: -31.816
flat angles P-C4'-P energy: -16.155
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: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -394.862975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.862975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.862975 (E_RNA)
where:
Base-Base interactions energy: -262.076
where: short stacking energy: -103.203
Base-Backbone interact. energy: -0.217
local terms energy: -132.570367
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -29.706
flat angles C4'-P-C4' energy: -37.240
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -25.234
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: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -306.159445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.159445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.159445 (E_RNA)
where:
Base-Base interactions energy: -179.107
where: short stacking energy: -77.317
Base-Backbone interact. energy: -0.617
local terms energy: -126.435651
where:
bonds (distance) C4'-P energy: -24.753
bonds (distance) P-C4' energy: -30.639
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -288.397960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.397960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.397960 (E_RNA)
where:
Base-Base interactions energy: -185.689
where: short stacking energy: -92.969
Base-Backbone interact. energy: 2.736
local terms energy: -106.509789
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -25.157
flat angles C4'-P-C4' energy: -27.303
flat angles P-C4'-P energy: -21.860
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.065 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -155.267318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.267318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.267318 (E_RNA)
where:
Base-Base interactions energy: -58.752
where: short stacking energy: -53.229
Base-Backbone interact. energy: -1.998
local terms energy: -94.517232
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -25.824
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -572.452049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.452049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.452049 (E_RNA)
where:
Base-Base interactions energy: -382.893
where: short stacking energy: -158.196
Base-Backbone interact. energy: -0.929
local terms energy: -188.629964
where:
bonds (distance) C4'-P energy: -38.013
bonds (distance) P-C4' energy: -36.263
flat angles C4'-P-C4' energy: -39.699
flat angles P-C4'-P energy: -26.204
tors. eta vs tors. theta energy: -48.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -567.335642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.335642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.335642 (E_RNA)
where:
Base-Base interactions energy: -385.983
where: short stacking energy: -169.953
Base-Backbone interact. energy: 0.805
local terms energy: -182.619730
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -34.927
flat angles C4'-P-C4' energy: -41.527
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -52.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.463 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -552.697933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.697933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.697933 (E_RNA)
where:
Base-Base interactions energy: -370.826
where: short stacking energy: -166.650
Base-Backbone interact. energy: -0.160
local terms energy: -181.711926
where:
bonds (distance) C4'-P energy: -31.858
bonds (distance) P-C4' energy: -32.267
flat angles C4'-P-C4' energy: -39.552
flat angles P-C4'-P energy: -24.861
tors. eta vs tors. theta energy: -53.174
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: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -505.173524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.173524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.173524 (E_RNA)
where:
Base-Base interactions energy: -344.717
where: short stacking energy: -146.898
Base-Backbone interact. energy: -0.155
local terms energy: -160.300772
where:
bonds (distance) C4'-P energy: -29.797
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -34.462
flat angles P-C4'-P energy: -17.982
tors. eta vs tors. theta energy: -47.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -517.147674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.147674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.147674 (E_RNA)
where:
Base-Base interactions energy: -343.463
where: short stacking energy: -146.853
Base-Backbone interact. energy: -1.022
local terms energy: -172.662246
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -36.192
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -44.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -443.743334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.743334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.743334 (E_RNA)
where:
Base-Base interactions energy: -286.442
where: short stacking energy: -125.134
Base-Backbone interact. energy: -0.687
local terms energy: -156.613725
where:
bonds (distance) C4'-P energy: -27.896
bonds (distance) P-C4' energy: -37.692
flat angles C4'-P-C4' energy: -30.795
flat angles P-C4'-P energy: -27.768
tors. eta vs tors. theta energy: -32.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -393.492392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.492392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.492392 (E_RNA)
where:
Base-Base interactions energy: -264.251
where: short stacking energy: -106.318
Base-Backbone interact. energy: 0.058
local terms energy: -129.299119
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -31.634
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -25.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -294.520673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.520673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.520673 (E_RNA)
where:
Base-Base interactions energy: -184.818
where: short stacking energy: -88.579
Base-Backbone interact. energy: 0.076
local terms energy: -109.778252
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -30.966
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -157.207561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.207561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.207561 (E_RNA)
where:
Base-Base interactions energy: -53.113
where: short stacking energy: -49.472
Base-Backbone interact. energy: -0.426
local terms energy: -104.346616
where:
bonds (distance) C4'-P energy: -33.802
bonds (distance) P-C4' energy: -28.298
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.678 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -285.435835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.435835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.435835 (E_RNA)
where:
Base-Base interactions energy: -168.531
where: short stacking energy: -83.333
Base-Backbone interact. energy: -0.223
local terms energy: -116.681844
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -31.733
flat angles C4'-P-C4' energy: -26.524
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -576.696581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.696581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.696581 (E_RNA)
where:
Base-Base interactions energy: -401.876
where: short stacking energy: -157.306
Base-Backbone interact. energy: -0.700
local terms energy: -174.120824
where:
bonds (distance) C4'-P energy: -31.745
bonds (distance) P-C4' energy: -29.681
flat angles C4'-P-C4' energy: -37.944
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -49.526
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: 475
Temperature: 0.950000
Total energy: -558.871880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.871880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.871880 (E_RNA)
where:
Base-Base interactions energy: -378.888
where: short stacking energy: -170.529
Base-Backbone interact. energy: -0.038
local terms energy: -179.946456
where:
bonds (distance) C4'-P energy: -30.682
bonds (distance) P-C4' energy: -38.585
flat angles C4'-P-C4' energy: -41.022
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: -46.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -523.742978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.742978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.742978 (E_RNA)
where:
Base-Base interactions energy: -361.768
where: short stacking energy: -143.646
Base-Backbone interact. energy: 1.121
local terms energy: -163.096408
where:
bonds (distance) C4'-P energy: -32.847
bonds (distance) P-C4' energy: -30.646
flat angles C4'-P-C4' energy: -41.552
flat angles P-C4'-P energy: -15.326
tors. eta vs tors. theta energy: -42.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -509.471312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.471312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.471312 (E_RNA)
where:
Base-Base interactions energy: -344.133
where: short stacking energy: -150.582
Base-Backbone interact. energy: -0.028
local terms energy: -165.799160
where:
bonds (distance) C4'-P energy: -31.963
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -35.146
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -47.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.489 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -504.598977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.598977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.598977 (E_RNA)
where:
Base-Base interactions energy: -351.899
where: short stacking energy: -143.786
Base-Backbone interact. energy: 3.586
local terms energy: -156.285532
where:
bonds (distance) C4'-P energy: -29.539
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -33.608
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -46.215
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: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -427.510914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.510914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.510914 (E_RNA)
where:
Base-Base interactions energy: -282.890
where: short stacking energy: -131.225
Base-Backbone interact. energy: 0.339
local terms energy: -144.959423
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -39.683
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -36.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -403.312279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.312279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.312279 (E_RNA)
where:
Base-Base interactions energy: -263.474
where: short stacking energy: -102.670
Base-Backbone interact. energy: 0.921
local terms energy: -140.758883
where:
bonds (distance) C4'-P energy: -29.899
bonds (distance) P-C4' energy: -27.680
flat angles C4'-P-C4' energy: -33.631
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -29.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -302.068471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.068471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.068471 (E_RNA)
where:
Base-Base interactions energy: -181.228
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.522
local terms energy: -120.318029
where:
bonds (distance) C4'-P energy: -30.540
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -31.404
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -154.388229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.388229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.388229 (E_RNA)
where:
Base-Base interactions energy: -73.116
where: short stacking energy: -47.429
Base-Backbone interact. energy: 1.564
local terms energy: -82.835993
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -24.623
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: 4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -294.612146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.612146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.612146 (E_RNA)
where:
Base-Base interactions energy: -165.423
where: short stacking energy: -91.554
Base-Backbone interact. energy: 0.333
local terms energy: -130.794688
where:
bonds (distance) C4'-P energy: -34.696
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -22.618
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -24.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.273 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -574.461008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.461008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.461008 (E_RNA)
where:
Base-Base interactions energy: -396.411
where: short stacking energy: -166.438
Base-Backbone interact. energy: -0.648
local terms energy: -177.401743
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -37.656
flat angles C4'-P-C4' energy: -38.798
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: -45.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -554.831975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.831975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.831975 (E_RNA)
where:
Base-Base interactions energy: -375.778
where: short stacking energy: -158.422
Base-Backbone interact. energy: -0.107
local terms energy: -178.946583
where:
bonds (distance) C4'-P energy: -32.614
bonds (distance) P-C4' energy: -32.807
flat angles C4'-P-C4' energy: -32.798
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -54.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -542.650613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.650613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.650613 (E_RNA)
where:
Base-Base interactions energy: -363.034
where: short stacking energy: -156.493
Base-Backbone interact. energy: 0.599
local terms energy: -180.215607
where:
bonds (distance) C4'-P energy: -33.774
bonds (distance) P-C4' energy: -38.093
flat angles C4'-P-C4' energy: -33.700
flat angles P-C4'-P energy: -28.385
tors. eta vs tors. theta energy: -46.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -521.439588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.439588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.439588 (E_RNA)
where:
Base-Base interactions energy: -356.192
where: short stacking energy: -143.532
Base-Backbone interact. energy: -1.292
local terms energy: -163.996968
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -34.239
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -44.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -492.679910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.679910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.679910 (E_RNA)
where:
Base-Base interactions energy: -342.233
where: short stacking energy: -127.476
Base-Backbone interact. energy: 2.174
local terms energy: -152.620912
where:
bonds (distance) C4'-P energy: -33.386
bonds (distance) P-C4' energy: -29.718
flat angles C4'-P-C4' energy: -29.647
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -37.643
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: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -413.078866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.078866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.078866 (E_RNA)
where:
Base-Base interactions energy: -269.921
where: short stacking energy: -115.525
Base-Backbone interact. energy: -0.500
local terms energy: -142.657916
where:
bonds (distance) C4'-P energy: -33.641
bonds (distance) P-C4' energy: -34.307
flat angles C4'-P-C4' energy: -32.966
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -26.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -408.925124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.925124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.925124 (E_RNA)
where:
Base-Base interactions energy: -269.609
where: short stacking energy: -108.451
Base-Backbone interact. energy: -0.973
local terms energy: -139.026732
where:
bonds (distance) C4'-P energy: -26.880
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -33.516
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -29.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.683 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -301.213440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.213440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.213440 (E_RNA)
where:
Base-Base interactions energy: -164.698
where: short stacking energy: -80.795
Base-Backbone interact. energy: -0.755
local terms energy: -135.760236
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -27.971
flat angles C4'-P-C4' energy: -30.879
flat angles P-C4'-P energy: -26.338
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -272.887204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.887204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.887204 (E_RNA)
where:
Base-Base interactions energy: -156.027
where: short stacking energy: -80.116
Base-Backbone interact. energy: 0.130
local terms energy: -116.990549
where:
bonds (distance) C4'-P energy: -29.344
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -28.416
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -138.766255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.766255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.766255 (E_RNA)
where:
Base-Base interactions energy: -39.345
where: short stacking energy: -33.129
Base-Backbone interact. energy: 0.524
local terms energy: -99.945328
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -36.590
flat angles C4'-P-C4' energy: -27.153
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: 3.972
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: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -570.008544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.008544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.008544 (E_RNA)
where:
Base-Base interactions energy: -390.080
where: short stacking energy: -165.605
Base-Backbone interact. energy: -0.644
local terms energy: -179.283811
where:
bonds (distance) C4'-P energy: -29.676
bonds (distance) P-C4' energy: -34.273
flat angles C4'-P-C4' energy: -39.995
flat angles P-C4'-P energy: -26.584
tors. eta vs tors. theta energy: -48.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -569.496672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.496672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.496672 (E_RNA)
where:
Base-Base interactions energy: -399.306
where: short stacking energy: -182.181
Base-Backbone interact. energy: 0.617
local terms energy: -171.151238
where:
bonds (distance) C4'-P energy: -30.867
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -37.153
flat angles P-C4'-P energy: -21.340
tors. eta vs tors. theta energy: -53.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.343 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -530.846815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.846815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.846815 (E_RNA)
where:
Base-Base interactions energy: -364.082
where: short stacking energy: -154.716
Base-Backbone interact. energy: -0.437
local terms energy: -166.327831
where:
bonds (distance) C4'-P energy: -29.234
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -34.522
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -48.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -525.965751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.965751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.965751 (E_RNA)
where:
Base-Base interactions energy: -367.633
where: short stacking energy: -156.495
Base-Backbone interact. energy: -0.373
local terms energy: -162.195706
where:
bonds (distance) C4'-P energy: -26.186
bonds (distance) P-C4' energy: -34.379
flat angles C4'-P-C4' energy: -33.982
flat angles P-C4'-P energy: -20.006
tors. eta vs tors. theta energy: -47.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.236 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -525.263480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.263480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.263480 (E_RNA)
where:
Base-Base interactions energy: -359.561
where: short stacking energy: -141.127
Base-Backbone interact. energy: 0.133
local terms energy: -165.835162
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -33.193
flat angles C4'-P-C4' energy: -36.145
flat angles P-C4'-P energy: -22.596
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: 6, replica: 3
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -447.298848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.298848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.298848 (E_RNA)
where:
Base-Base interactions energy: -288.931
where: short stacking energy: -124.902
Base-Backbone interact. energy: -0.398
local terms energy: -157.969533
where:
bonds (distance) C4'-P energy: -28.843
bonds (distance) P-C4' energy: -35.206
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -34.444
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: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -406.832673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.832673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.832673 (E_RNA)
where:
Base-Base interactions energy: -278.851
where: short stacking energy: -117.706
Base-Backbone interact. energy: 5.901
local terms energy: -133.882141
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -33.640
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -36.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -301.600511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.600511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.600511 (E_RNA)
where:
Base-Base interactions energy: -172.860
where: short stacking energy: -91.787
Base-Backbone interact. energy: -0.165
local terms energy: -128.576308
where:
bonds (distance) C4'-P energy: -33.226
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -34.847
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -23.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -295.035600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.035600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.035600 (E_RNA)
where:
Base-Base interactions energy: -175.606
where: short stacking energy: -95.567
Base-Backbone interact. energy: 0.174
local terms energy: -119.603695
where:
bonds (distance) C4'-P energy: -30.016
bonds (distance) P-C4' energy: -26.780
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -22.846
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: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -144.003564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.003564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.003564 (E_RNA)
where:
Base-Base interactions energy: -56.453
where: short stacking energy: -52.008
Base-Backbone interact. energy: 1.371
local terms energy: -91.449473
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -25.589
flat angles P-C4'-P energy: -18.135
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.528 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -573.044704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.044704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.044704 (E_RNA)
where:
Base-Base interactions energy: -390.515
where: short stacking energy: -166.662
Base-Backbone interact. energy: -0.306
local terms energy: -182.223900
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -37.199
flat angles C4'-P-C4' energy: -39.021
flat angles P-C4'-P energy: -29.648
tors. eta vs tors. theta energy: -46.628
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: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -591.541080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.541080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.541080 (E_RNA)
where:
Base-Base interactions energy: -400.464
where: short stacking energy: -172.170
Base-Backbone interact. energy: -1.189
local terms energy: -190.229412
where:
bonds (distance) C4'-P energy: -31.820
bonds (distance) P-C4' energy: -36.420
flat angles C4'-P-C4' energy: -37.672
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: -56.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.341 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -551.469441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.469441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.469441 (E_RNA)
where:
Base-Base interactions energy: -378.683
where: short stacking energy: -150.382
Base-Backbone interact. energy: -0.919
local terms energy: -171.867532
where:
bonds (distance) C4'-P energy: -29.998
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -33.730
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -45.422
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: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -526.352465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.352465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.352465 (E_RNA)
where:
Base-Base interactions energy: -354.993
where: short stacking energy: -152.897
Base-Backbone interact. energy: 0.943
local terms energy: -172.302569
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -35.401
flat angles C4'-P-C4' energy: -37.598
flat angles P-C4'-P energy: -26.468
tors. eta vs tors. theta energy: -45.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -509.978822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.978822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.978822 (E_RNA)
where:
Base-Base interactions energy: -347.751
where: short stacking energy: -142.316
Base-Backbone interact. energy: -0.402
local terms energy: -161.826023
where:
bonds (distance) C4'-P energy: -34.900
bonds (distance) P-C4' energy: -30.099
flat angles C4'-P-C4' energy: -29.890
flat angles P-C4'-P energy: -21.832
tors. eta vs tors. theta energy: -45.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -434.378311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.378311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.378311 (E_RNA)
where:
Base-Base interactions energy: -294.708
where: short stacking energy: -121.464
Base-Backbone interact. energy: -1.006
local terms energy: -138.664120
where:
bonds (distance) C4'-P energy: -30.624
bonds (distance) P-C4' energy: -32.486
flat angles C4'-P-C4' energy: -35.797
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -24.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -443.130473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.130473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.130473 (E_RNA)
where:
Base-Base interactions energy: -291.349
where: short stacking energy: -131.119
Base-Backbone interact. energy: -1.301
local terms energy: -150.480903
where:
bonds (distance) C4'-P energy: -23.235
bonds (distance) P-C4' energy: -27.823
flat angles C4'-P-C4' energy: -33.116
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -42.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -287.822661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.822661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.822661 (E_RNA)
where:
Base-Base interactions energy: -181.264
where: short stacking energy: -76.312
Base-Backbone interact. energy: -0.704
local terms energy: -105.855093
where:
bonds (distance) C4'-P energy: -28.811
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -24.529
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -8.596
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: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -296.829326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.829326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.829326 (E_RNA)
where:
Base-Base interactions energy: -173.177
where: short stacking energy: -86.554
Base-Backbone interact. energy: -0.302
local terms energy: -123.350727
where:
bonds (distance) C4'-P energy: -27.906
bonds (distance) P-C4' energy: -33.535
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -151.841930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.841930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.841930 (E_RNA)
where:
Base-Base interactions energy: -50.872
where: short stacking energy: -43.529
Base-Backbone interact. energy: -1.210
local terms energy: -99.760405
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -35.121
flat angles C4'-P-C4' energy: -25.351
flat angles P-C4'-P energy: -21.056
tors. eta vs tors. theta energy: 7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -564.325497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.325497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.325497 (E_RNA)
where:
Base-Base interactions energy: -387.623
where: short stacking energy: -162.592
Base-Backbone interact. energy: -0.622
local terms energy: -176.080679
where:
bonds (distance) C4'-P energy: -31.375
bonds (distance) P-C4' energy: -40.648
flat angles C4'-P-C4' energy: -39.747
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -42.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -590.922759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.922759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.922759 (E_RNA)
where:
Base-Base interactions energy: -396.047
where: short stacking energy: -171.272
Base-Backbone interact. energy: -0.438
local terms energy: -194.438387
where:
bonds (distance) C4'-P energy: -35.584
bonds (distance) P-C4' energy: -34.817
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -27.729
tors. eta vs tors. theta energy: -58.388
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: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -529.577196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.577196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.577196 (E_RNA)
where:
Base-Base interactions energy: -365.657
where: short stacking energy: -157.494
Base-Backbone interact. energy: -1.205
local terms energy: -162.847136
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -37.912
flat angles P-C4'-P energy: -23.250
tors. eta vs tors. theta energy: -47.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.131 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -516.959968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.959968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.959968 (E_RNA)
where:
Base-Base interactions energy: -356.532
where: short stacking energy: -155.758
Base-Backbone interact. energy: -0.913
local terms energy: -159.514682
where:
bonds (distance) C4'-P energy: -29.514
bonds (distance) P-C4' energy: -34.692
flat angles C4'-P-C4' energy: -36.377
flat angles P-C4'-P energy: -18.780
tors. eta vs tors. theta energy: -40.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -518.680212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.680212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.680212 (E_RNA)
where:
Base-Base interactions energy: -345.721
where: short stacking energy: -140.362
Base-Backbone interact. energy: 0.984
local terms energy: -174.258302
where:
bonds (distance) C4'-P energy: -36.756
bonds (distance) P-C4' energy: -40.182
flat angles C4'-P-C4' energy: -33.761
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -44.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.316 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -442.636165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.636165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.636165 (E_RNA)
where:
Base-Base interactions energy: -301.573
where: short stacking energy: -130.341
Base-Backbone interact. energy: -0.216
local terms energy: -140.846314
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -35.640
flat angles C4'-P-C4' energy: -22.700
flat angles P-C4'-P energy: -21.236
tors. eta vs tors. theta energy: -34.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -431.702592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.702592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.702592 (E_RNA)
where:
Base-Base interactions energy: -298.416
where: short stacking energy: -127.249
Base-Backbone interact. energy: -0.047
local terms energy: -133.239787
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -34.121
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -30.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -316.072828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.072828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.072828 (E_RNA)
where:
Base-Base interactions energy: -181.375
where: short stacking energy: -90.550
Base-Backbone interact. energy: 0.138
local terms energy: -134.835581
where:
bonds (distance) C4'-P energy: -36.017
bonds (distance) P-C4' energy: -28.329
flat angles C4'-P-C4' energy: -34.431
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -23.526
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: 8
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -301.405951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.405951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.405951 (E_RNA)
where:
Base-Base interactions energy: -183.938
where: short stacking energy: -89.907
Base-Backbone interact. energy: 1.679
local terms energy: -119.146933
where:
bonds (distance) C4'-P energy: -33.467
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -17.309
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -146.191452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.191452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.191452 (E_RNA)
where:
Base-Base interactions energy: -48.178
where: short stacking energy: -40.908
Base-Backbone interact. energy: -0.812
local terms energy: -97.201795
where:
bonds (distance) C4'-P energy: -31.530
bonds (distance) P-C4' energy: -29.711
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -16.275
tors. eta vs tors. theta energy: 3.187
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: 4
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -598.242020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.242020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.242020 (E_RNA)
where:
Base-Base interactions energy: -405.615
where: short stacking energy: -184.737
Base-Backbone interact. energy: -1.177
local terms energy: -191.449862
where:
bonds (distance) C4'-P energy: -36.354
bonds (distance) P-C4' energy: -37.469
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -56.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -558.110040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.110040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.110040 (E_RNA)
where:
Base-Base interactions energy: -378.370
where: short stacking energy: -162.741
Base-Backbone interact. energy: -0.498
local terms energy: -179.241766
where:
bonds (distance) C4'-P energy: -31.126
bonds (distance) P-C4' energy: -39.612
flat angles C4'-P-C4' energy: -40.664
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -45.446
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: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -532.177527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.177527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.177527 (E_RNA)
where:
Base-Base interactions energy: -361.275
where: short stacking energy: -158.142
Base-Backbone interact. energy: 0.588
local terms energy: -171.490816
where:
bonds (distance) C4'-P energy: -33.856
bonds (distance) P-C4' energy: -36.690
flat angles C4'-P-C4' energy: -34.906
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -48.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -516.989568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.989568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.989568 (E_RNA)
where:
Base-Base interactions energy: -354.734
where: short stacking energy: -145.748
Base-Backbone interact. energy: -0.984
local terms energy: -161.271380
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -36.264
flat angles C4'-P-C4' energy: -33.603
flat angles P-C4'-P energy: -21.597
tors. eta vs tors. theta energy: -41.255
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: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -506.213860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.213860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.213860 (E_RNA)
where:
Base-Base interactions energy: -345.079
where: short stacking energy: -149.022
Base-Backbone interact. energy: -0.924
local terms energy: -160.211288
where:
bonds (distance) C4'-P energy: -31.912
bonds (distance) P-C4' energy: -31.528
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -24.568
tors. eta vs tors. theta energy: -45.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -431.590500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.590500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.590500 (E_RNA)
where:
Base-Base interactions energy: -285.338
where: short stacking energy: -112.213
Base-Backbone interact. energy: -1.966
local terms energy: -144.286854
where:
bonds (distance) C4'-P energy: -30.084
bonds (distance) P-C4' energy: -28.550
flat angles C4'-P-C4' energy: -28.781
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -32.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -408.481842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.481842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.481842 (E_RNA)
where:
Base-Base interactions energy: -259.735
where: short stacking energy: -110.240
Base-Backbone interact. energy: 1.178
local terms energy: -149.924696
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -33.974
flat angles C4'-P-C4' energy: -34.471
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: -30.399
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: 2
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -334.509524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.509524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.509524 (E_RNA)
where:
Base-Base interactions energy: -203.601
where: short stacking energy: -97.131
Base-Backbone interact. energy: -0.371
local terms energy: -130.537473
where:
bonds (distance) C4'-P energy: -31.456
bonds (distance) P-C4' energy: -29.889
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -17.311
tors. eta vs tors. theta energy: -24.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -294.242454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.242454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.242454 (E_RNA)
where:
Base-Base interactions energy: -169.152
where: short stacking energy: -93.394
Base-Backbone interact. energy: -1.576
local terms energy: -124.694283
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -31.746
flat angles P-C4'-P energy: -22.554
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.180 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -182.177239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.177239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.177239 (E_RNA)
where:
Base-Base interactions energy: -83.172
where: short stacking energy: -45.513
Base-Backbone interact. energy: -1.795
local terms energy: -97.210687
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -29.675
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: 2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -600.437808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.437808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.437808 (E_RNA)
where:
Base-Base interactions energy: -409.330
where: short stacking energy: -189.985
Base-Backbone interact. energy: -0.769
local terms energy: -190.439571
where:
bonds (distance) C4'-P energy: -32.644
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -41.209
flat angles P-C4'-P energy: -34.506
tors. eta vs tors. theta energy: -57.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.101 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -562.001559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.001559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.001559 (E_RNA)
where:
Base-Base interactions energy: -386.462
where: short stacking energy: -156.391
Base-Backbone interact. energy: -0.272
local terms energy: -175.267286
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -30.756
flat angles C4'-P-C4' energy: -32.487
flat angles P-C4'-P energy: -29.058
tors. eta vs tors. theta energy: -48.016
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: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -532.533429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.533429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.533429 (E_RNA)
where:
Base-Base interactions energy: -358.073
where: short stacking energy: -151.695
Base-Backbone interact. energy: -0.077
local terms energy: -174.383373
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -39.949
flat angles C4'-P-C4' energy: -37.620
flat angles P-C4'-P energy: -24.577
tors. eta vs tors. theta energy: -45.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -513.756991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.756991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.756991 (E_RNA)
where:
Base-Base interactions energy: -349.878
where: short stacking energy: -154.581
Base-Backbone interact. energy: -0.968
local terms energy: -166.915778
where:
bonds (distance) C4'-P energy: -33.352
bonds (distance) P-C4' energy: -29.990
flat angles C4'-P-C4' energy: -37.219
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -45.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.005 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -504.491577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.491577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.491577 (E_RNA)
where:
Base-Base interactions energy: -344.607
where: short stacking energy: -145.739
Base-Backbone interact. energy: 1.183
local terms energy: -161.067831
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -34.144
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -41.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -426.391132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.391132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.391132 (E_RNA)
where:
Base-Base interactions energy: -287.287
where: short stacking energy: -131.458
Base-Backbone interact. energy: 0.137
local terms energy: -139.241001
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -29.814
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -38.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -399.626294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.626294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.626294 (E_RNA)
where:
Base-Base interactions energy: -257.832
where: short stacking energy: -108.325
Base-Backbone interact. energy: -0.517
local terms energy: -141.566059
where:
bonds (distance) C4'-P energy: -21.935
bonds (distance) P-C4' energy: -38.935
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -29.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.288 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -322.687228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.687228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.687228 (E_RNA)
where:
Base-Base interactions energy: -210.044
where: short stacking energy: -89.071
Base-Backbone interact. energy: 2.180
local terms energy: -114.822852
where:
bonds (distance) C4'-P energy: -27.673
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -286.864585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.864585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.864585 (E_RNA)
where:
Base-Base interactions energy: -181.941
where: short stacking energy: -85.650
Base-Backbone interact. energy: -0.636
local terms energy: -104.287343
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -24.403
flat angles C4'-P-C4' energy: -26.920
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -152.190218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.190218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.190218 (E_RNA)
where:
Base-Base interactions energy: -41.472
where: short stacking energy: -38.221
Base-Backbone interact. energy: -0.173
local terms energy: -110.544696
where:
bonds (distance) C4'-P energy: -27.905
bonds (distance) P-C4' energy: -31.155
flat angles C4'-P-C4' energy: -27.862
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -3.101
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: 1, replica: 10
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -594.358572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.358572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.358572 (E_RNA)
where:
Base-Base interactions energy: -415.226
where: short stacking energy: -163.401
Base-Backbone interact. energy: -0.504
local terms energy: -178.629140
where:
bonds (distance) C4'-P energy: -33.779
bonds (distance) P-C4' energy: -35.022
flat angles C4'-P-C4' energy: -36.139
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -51.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -575.060724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.060724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.060724 (E_RNA)
where:
Base-Base interactions energy: -395.037
where: short stacking energy: -170.638
Base-Backbone interact. energy: -1.073
local terms energy: -178.951398
where:
bonds (distance) C4'-P energy: -28.898
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -37.295
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -53.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -524.774016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.774016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.774016 (E_RNA)
where:
Base-Base interactions energy: -352.296
where: short stacking energy: -145.937
Base-Backbone interact. energy: -0.839
local terms energy: -171.638727
where:
bonds (distance) C4'-P energy: -33.424
bonds (distance) P-C4' energy: -34.114
flat angles C4'-P-C4' energy: -35.636
flat angles P-C4'-P energy: -22.323
tors. eta vs tors. theta energy: -46.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -512.841213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.841213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.841213 (E_RNA)
where:
Base-Base interactions energy: -337.366
where: short stacking energy: -141.906
Base-Backbone interact. energy: -0.412
local terms energy: -177.682543
where:
bonds (distance) C4'-P energy: -37.819
bonds (distance) P-C4' energy: -32.178
flat angles C4'-P-C4' energy: -33.658
flat angles P-C4'-P energy: -29.370
tors. eta vs tors. theta energy: -44.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.620 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -524.963758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.963758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.963758 (E_RNA)
where:
Base-Base interactions energy: -342.030
where: short stacking energy: -144.775
Base-Backbone interact. energy: -0.067
local terms energy: -182.865991
where:
bonds (distance) C4'-P energy: -37.253
bonds (distance) P-C4' energy: -32.177
flat angles C4'-P-C4' energy: -41.364
flat angles P-C4'-P energy: -28.774
tors. eta vs tors. theta energy: -43.298
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: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -370.900911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.900911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.900911 (E_RNA)
where:
Base-Base interactions energy: -242.826
where: short stacking energy: -100.832
Base-Backbone interact. energy: 0.251
local terms energy: -128.326156
where:
bonds (distance) C4'-P energy: -24.374
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -35.212
flat angles P-C4'-P energy: -25.415
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -423.572744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.572744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.572744 (E_RNA)
where:
Base-Base interactions energy: -276.557
where: short stacking energy: -119.816
Base-Backbone interact. energy: -0.156
local terms energy: -146.859127
where:
bonds (distance) C4'-P energy: -32.892
bonds (distance) P-C4' energy: -27.546
flat angles C4'-P-C4' energy: -32.947
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -39.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -299.581113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.581113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.581113 (E_RNA)
where:
Base-Base interactions energy: -190.905
where: short stacking energy: -88.644
Base-Backbone interact. energy: -0.043
local terms energy: -108.632411
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -33.261
flat angles C4'-P-C4' energy: -34.128
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -273.327909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.327909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.327909 (E_RNA)
where:
Base-Base interactions energy: -170.555
where: short stacking energy: -89.652
Base-Backbone interact. energy: 1.933
local terms energy: -104.705468
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -151.331495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.331495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.331495 (E_RNA)
where:
Base-Base interactions energy: -47.577
where: short stacking energy: -41.406
Base-Backbone interact. energy: 1.023
local terms energy: -105.882891
where:
bonds (distance) C4'-P energy: -27.726
bonds (distance) P-C4' energy: -28.341
flat angles C4'-P-C4' energy: -35.075
flat angles P-C4'-P energy: -18.385
tors. eta vs tors. theta energy: 3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.106 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -567.264981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.264981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.264981 (E_RNA)
where:
Base-Base interactions energy: -394.562
where: short stacking energy: -157.858
Base-Backbone interact. energy: 0.548
local terms energy: -173.250768
where:
bonds (distance) C4'-P energy: -31.522
bonds (distance) P-C4' energy: -32.425
flat angles C4'-P-C4' energy: -39.385
flat angles P-C4'-P energy: -23.941
tors. eta vs tors. theta energy: -45.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -581.088155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.088155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.088155 (E_RNA)
where:
Base-Base interactions energy: -396.616
where: short stacking energy: -174.860
Base-Backbone interact. energy: 0.049
local terms energy: -184.638305
where:
bonds (distance) C4'-P energy: -34.695
bonds (distance) P-C4' energy: -33.018
flat angles C4'-P-C4' energy: -33.681
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -54.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -510.817337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.817337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.817337 (E_RNA)
where:
Base-Base interactions energy: -342.958
where: short stacking energy: -150.998
Base-Backbone interact. energy: 0.327
local terms energy: -168.186692
where:
bonds (distance) C4'-P energy: -31.758
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -39.967
flat angles P-C4'-P energy: -26.834
tors. eta vs tors. theta energy: -41.779
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: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -517.996971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.996971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.996971 (E_RNA)
where:
Base-Base interactions energy: -353.283
where: short stacking energy: -138.150
Base-Backbone interact. energy: -0.169
local terms energy: -164.544897
where:
bonds (distance) C4'-P energy: -31.622
bonds (distance) P-C4' energy: -32.527
flat angles C4'-P-C4' energy: -34.138
flat angles P-C4'-P energy: -21.452
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: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -511.766171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.766171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.766171 (E_RNA)
where:
Base-Base interactions energy: -351.408
where: short stacking energy: -137.255
Base-Backbone interact. energy: -0.427
local terms energy: -159.931642
where:
bonds (distance) C4'-P energy: -34.776
bonds (distance) P-C4' energy: -31.164
flat angles C4'-P-C4' energy: -27.397
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -41.746
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: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -440.445569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.445569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.445569 (E_RNA)
where:
Base-Base interactions energy: -294.304
where: short stacking energy: -130.711
Base-Backbone interact. energy: -1.181
local terms energy: -144.960470
where:
bonds (distance) C4'-P energy: -30.264
bonds (distance) P-C4' energy: -37.859
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -33.702
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: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -389.856164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.856164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.856164 (E_RNA)
where:
Base-Base interactions energy: -253.835
where: short stacking energy: -112.938
Base-Backbone interact. energy: -0.245
local terms energy: -135.776691
where:
bonds (distance) C4'-P energy: -28.968
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -30.007
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: -29.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -318.397883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.397883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.397883 (E_RNA)
where:
Base-Base interactions energy: -189.594
where: short stacking energy: -83.909
Base-Backbone interact. energy: -0.241
local terms energy: -128.562983
where:
bonds (distance) C4'-P energy: -30.878
bonds (distance) P-C4' energy: -32.636
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -25.312
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: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -292.689456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.689456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.689456 (E_RNA)
where:
Base-Base interactions energy: -156.546
where: short stacking energy: -86.869
Base-Backbone interact. energy: -0.984
local terms energy: -136.593190
where:
bonds (distance) C4'-P energy: -33.589
bonds (distance) P-C4' energy: -39.138
flat angles C4'-P-C4' energy: -27.848
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.434 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -152.749275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.749275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.749275 (E_RNA)
where:
Base-Base interactions energy: -57.932
where: short stacking energy: -43.132
Base-Backbone interact. energy: -0.988
local terms energy: -94.100652
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -31.016
flat angles C4'-P-C4' energy: -25.118
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.271 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -573.679621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.679621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.679621 (E_RNA)
where:
Base-Base interactions energy: -384.246
where: short stacking energy: -160.798
Base-Backbone interact. energy: -1.058
local terms energy: -188.507221
where:
bonds (distance) C4'-P energy: -37.098
bonds (distance) P-C4' energy: -32.874
flat angles C4'-P-C4' energy: -40.439
flat angles P-C4'-P energy: -28.160
tors. eta vs tors. theta energy: -49.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.132 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -566.672633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.672633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.672633 (E_RNA)
where:
Base-Base interactions energy: -375.126
where: short stacking energy: -159.087
Base-Backbone interact. energy: -0.817
local terms energy: -190.729244
where:
bonds (distance) C4'-P energy: -41.077
bonds (distance) P-C4' energy: -35.805
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -27.076
tors. eta vs tors. theta energy: -48.695
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: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -535.662984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.662984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.662984 (E_RNA)
where:
Base-Base interactions energy: -369.056
where: short stacking energy: -145.544
Base-Backbone interact. energy: -0.336
local terms energy: -166.271093
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -32.987
flat angles C4'-P-C4' energy: -38.165
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -44.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -481.652271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.652271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.652271 (E_RNA)
where:
Base-Base interactions energy: -320.087
where: short stacking energy: -121.330
Base-Backbone interact. energy: -0.600
local terms energy: -161.303395
where:
bonds (distance) C4'-P energy: -33.569
bonds (distance) P-C4' energy: -39.241
flat angles C4'-P-C4' energy: -32.850
flat angles P-C4'-P energy: -19.116
tors. eta vs tors. theta energy: -36.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.339 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -512.380536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.380536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.380536 (E_RNA)
where:
Base-Base interactions energy: -360.815
where: short stacking energy: -148.667
Base-Backbone interact. energy: 1.856
local terms energy: -153.421246
where:
bonds (distance) C4'-P energy: -25.751
bonds (distance) P-C4' energy: -25.211
flat angles C4'-P-C4' energy: -34.318
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -44.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -442.371676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.371676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.371676 (E_RNA)
where:
Base-Base interactions energy: -293.457
where: short stacking energy: -124.774
Base-Backbone interact. energy: -0.558
local terms energy: -148.357185
where:
bonds (distance) C4'-P energy: -25.665
bonds (distance) P-C4' energy: -37.444
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -20.672
tors. eta vs tors. theta energy: -32.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -399.679862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.679862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.679862 (E_RNA)
where:
Base-Base interactions energy: -270.519
where: short stacking energy: -115.110
Base-Backbone interact. energy: -0.281
local terms energy: -128.879979
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -26.968
flat angles P-C4'-P energy: -25.079
tors. eta vs tors. theta energy: -30.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -261.547674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.547674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.547674 (E_RNA)
where:
Base-Base interactions energy: -162.432
where: short stacking energy: -72.408
Base-Backbone interact. energy: 0.399
local terms energy: -99.514741
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -31.131
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -292.054269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.054269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.054269 (E_RNA)
where:
Base-Base interactions energy: -184.460
where: short stacking energy: -76.012
Base-Backbone interact. energy: -0.800
local terms energy: -106.794768
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -144.435452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.435452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.435452 (E_RNA)
where:
Base-Base interactions energy: -59.796
where: short stacking energy: -40.134
Base-Backbone interact. energy: -1.586
local terms energy: -83.052667
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -32.303
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: 12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -584.529313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.529313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.529313 (E_RNA)
where:
Base-Base interactions energy: -394.185
where: short stacking energy: -174.105
Base-Backbone interact. energy: -0.173
local terms energy: -193.114089
where:
bonds (distance) C4'-P energy: -36.025
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -38.927
flat angles P-C4'-P energy: -27.523
tors. eta vs tors. theta energy: -54.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.942 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -557.970266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.970266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.970266 (E_RNA)
where:
Base-Base interactions energy: -398.692
where: short stacking energy: -157.088
Base-Backbone interact. energy: -0.923
local terms energy: -158.355011
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -30.862
flat angles C4'-P-C4' energy: -28.206
flat angles P-C4'-P energy: -21.484
tors. eta vs tors. theta energy: -44.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -522.695527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.695527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.695527 (E_RNA)
where:
Base-Base interactions energy: -350.866
where: short stacking energy: -140.021
Base-Backbone interact. energy: -0.012
local terms energy: -171.817082
where:
bonds (distance) C4'-P energy: -31.816
bonds (distance) P-C4' energy: -35.472
flat angles C4'-P-C4' energy: -41.195
flat angles P-C4'-P energy: -22.167
tors. eta vs tors. theta energy: -41.167
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: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -515.621295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.621295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.621295 (E_RNA)
where:
Base-Base interactions energy: -351.899
where: short stacking energy: -144.753
Base-Backbone interact. energy: -0.131
local terms energy: -164.706519
where:
bonds (distance) C4'-P energy: -28.855
bonds (distance) P-C4' energy: -33.425
flat angles C4'-P-C4' energy: -33.465
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -42.265
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: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -482.923798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.923798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.923798 (E_RNA)
where:
Base-Base interactions energy: -316.146
where: short stacking energy: -132.578
Base-Backbone interact. energy: 0.111
local terms energy: -166.889178
where:
bonds (distance) C4'-P energy: -29.443
bonds (distance) P-C4' energy: -39.052
flat angles C4'-P-C4' energy: -39.387
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -42.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -415.622809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.622809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.622809 (E_RNA)
where:
Base-Base interactions energy: -271.254
where: short stacking energy: -114.742
Base-Backbone interact. energy: -0.727
local terms energy: -143.642457
where:
bonds (distance) C4'-P energy: -35.562
bonds (distance) P-C4' energy: -33.707
flat angles C4'-P-C4' energy: -31.105
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -27.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -404.087088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.087088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.087088 (E_RNA)
where:
Base-Base interactions energy: -269.482
where: short stacking energy: -114.281
Base-Backbone interact. energy: -0.286
local terms energy: -134.318905
where:
bonds (distance) C4'-P energy: -30.365
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -24.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -315.333503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.333503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.333503 (E_RNA)
where:
Base-Base interactions energy: -186.212
where: short stacking energy: -87.329
Base-Backbone interact. energy: -1.590
local terms energy: -127.531007
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -36.097
flat angles C4'-P-C4' energy: -27.998
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -296.747039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.747039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.747039 (E_RNA)
where:
Base-Base interactions energy: -174.189
where: short stacking energy: -82.618
Base-Backbone interact. energy: -0.010
local terms energy: -122.547169
where:
bonds (distance) C4'-P energy: -30.702
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -30.073
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -17.165
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: 6
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -159.526278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.526278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.526278 (E_RNA)
where:
Base-Base interactions energy: -61.269
where: short stacking energy: -56.525
Base-Backbone interact. energy: -0.504
local terms energy: -97.753758
where:
bonds (distance) C4'-P energy: -27.941
bonds (distance) P-C4' energy: -31.443
flat angles C4'-P-C4' energy: -21.871
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -575.386813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.386813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.386813 (E_RNA)
where:
Base-Base interactions energy: -391.898
where: short stacking energy: -168.037
Base-Backbone interact. energy: -0.498
local terms energy: -182.990952
where:
bonds (distance) C4'-P energy: -27.456
bonds (distance) P-C4' energy: -40.414
flat angles C4'-P-C4' energy: -35.254
flat angles P-C4'-P energy: -30.276
tors. eta vs tors. theta energy: -49.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -542.495808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.495808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.495808 (E_RNA)
where:
Base-Base interactions energy: -368.577
where: short stacking energy: -153.409
Base-Backbone interact. energy: 0.885
local terms energy: -174.803892
where:
bonds (distance) C4'-P energy: -33.020
bonds (distance) P-C4' energy: -37.125
flat angles C4'-P-C4' energy: -36.766
flat angles P-C4'-P energy: -25.728
tors. eta vs tors. theta energy: -42.165
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: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -522.087724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.087724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.087724 (E_RNA)
where:
Base-Base interactions energy: -364.175
where: short stacking energy: -146.215
Base-Backbone interact. energy: -0.100
local terms energy: -157.812598
where:
bonds (distance) C4'-P energy: -29.696
bonds (distance) P-C4' energy: -27.808
flat angles C4'-P-C4' energy: -38.836
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -40.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -525.623788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.623788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.623788 (E_RNA)
where:
Base-Base interactions energy: -363.011
where: short stacking energy: -153.763
Base-Backbone interact. energy: -0.952
local terms energy: -161.661068
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -37.172
flat angles C4'-P-C4' energy: -36.193
flat angles P-C4'-P energy: -18.108
tors. eta vs tors. theta energy: -46.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -483.918767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.918767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.918767 (E_RNA)
where:
Base-Base interactions energy: -329.825
where: short stacking energy: -147.865
Base-Backbone interact. energy: -0.522
local terms energy: -153.572147
where:
bonds (distance) C4'-P energy: -27.782
bonds (distance) P-C4' energy: -35.212
flat angles C4'-P-C4' energy: -31.701
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -40.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -428.847593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.847593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.847593 (E_RNA)
where:
Base-Base interactions energy: -285.243
where: short stacking energy: -133.188
Base-Backbone interact. energy: 0.903
local terms energy: -144.508140
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -30.983
flat angles P-C4'-P energy: -17.772
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: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -394.201079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.201079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.201079 (E_RNA)
where:
Base-Base interactions energy: -259.882
where: short stacking energy: -103.226
Base-Backbone interact. energy: -0.307
local terms energy: -135.945870
where:
bonds (distance) C4'-P energy: -28.152
bonds (distance) P-C4' energy: -28.414
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -22.977
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: 1.934 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -313.322032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.322032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.322032 (E_RNA)
where:
Base-Base interactions energy: -190.723
where: short stacking energy: -99.782
Base-Backbone interact. energy: -0.799
local terms energy: -121.800591
where:
bonds (distance) C4'-P energy: -30.485
bonds (distance) P-C4' energy: -30.125
flat angles C4'-P-C4' energy: -29.984
flat angles P-C4'-P energy: -16.613
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -291.858691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.858691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.858691 (E_RNA)
where:
Base-Base interactions energy: -169.008
where: short stacking energy: -93.715
Base-Backbone interact. energy: 1.699
local terms energy: -124.550097
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -30.910
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -21.392
tors. eta vs tors. theta energy: -22.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -147.124367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.124367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.124367 (E_RNA)
where:
Base-Base interactions energy: -49.822
where: short stacking energy: -43.728
Base-Backbone interact. energy: -0.415
local terms energy: -96.887805
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -27.149
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: 3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -589.714285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.714285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.714285 (E_RNA)
where:
Base-Base interactions energy: -410.854
where: short stacking energy: -183.091
Base-Backbone interact. energy: -0.745
local terms energy: -178.115566
where:
bonds (distance) C4'-P energy: -24.718
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -59.027
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: 10
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -560.742365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.742365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.742365 (E_RNA)
where:
Base-Base interactions energy: -392.197
where: short stacking energy: -167.701
Base-Backbone interact. energy: -0.314
local terms energy: -168.231241
where:
bonds (distance) C4'-P energy: -27.872
bonds (distance) P-C4' energy: -34.883
flat angles C4'-P-C4' energy: -39.758
flat angles P-C4'-P energy: -19.800
tors. eta vs tors. theta energy: -45.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -518.723068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.723068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.723068 (E_RNA)
where:
Base-Base interactions energy: -366.777
where: short stacking energy: -143.163
Base-Backbone interact. energy: -0.559
local terms energy: -151.387321
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -31.908
flat angles C4'-P-C4' energy: -33.390
flat angles P-C4'-P energy: -21.803
tors. eta vs tors. theta energy: -35.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -527.163236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.163236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.163236 (E_RNA)
where:
Base-Base interactions energy: -361.293
where: short stacking energy: -150.476
Base-Backbone interact. energy: -1.065
local terms energy: -164.804756
where:
bonds (distance) C4'-P energy: -26.848
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -36.512
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -42.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -486.921559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.921559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.921559 (E_RNA)
where:
Base-Base interactions energy: -327.336
where: short stacking energy: -147.513
Base-Backbone interact. energy: -0.127
local terms energy: -159.458849
where:
bonds (distance) C4'-P energy: -27.553
bonds (distance) P-C4' energy: -33.214
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -21.009
tors. eta vs tors. theta energy: -44.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -423.263418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.263418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.263418 (E_RNA)
where:
Base-Base interactions energy: -272.468
where: short stacking energy: -126.373
Base-Backbone interact. energy: -1.139
local terms energy: -150.363802
where:
bonds (distance) C4'-P energy: -30.308
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -29.416
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -27.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.707 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -425.413174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.413174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.413174 (E_RNA)
where:
Base-Base interactions energy: -287.434
where: short stacking energy: -124.136
Base-Backbone interact. energy: -0.077
local terms energy: -137.901685
where:
bonds (distance) C4'-P energy: -22.579
bonds (distance) P-C4' energy: -30.535
flat angles C4'-P-C4' energy: -34.089
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -31.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -288.646068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.646068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.646068 (E_RNA)
where:
Base-Base interactions energy: -179.460
where: short stacking energy: -85.604
Base-Backbone interact. energy: -0.559
local terms energy: -108.627261
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -30.853
flat angles C4'-P-C4' energy: -28.487
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -331.333585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.333585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.333585 (E_RNA)
where:
Base-Base interactions energy: -207.630
where: short stacking energy: -81.630
Base-Backbone interact. energy: -1.372
local terms energy: -128.483993
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -31.268
flat angles P-C4'-P energy: -19.096
tors. eta vs tors. theta energy: -19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 6.153 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -139.825644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.825644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.825644 (E_RNA)
where:
Base-Base interactions energy: -57.419
where: short stacking energy: -41.833
Base-Backbone interact. energy: 4.263
local terms energy: -86.669431
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -26.338
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: 1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -584.128857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.128857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.128857 (E_RNA)
where:
Base-Base interactions energy: -390.160
where: short stacking energy: -165.143
Base-Backbone interact. energy: -0.256
local terms energy: -193.712722
where:
bonds (distance) C4'-P energy: -36.673
bonds (distance) P-C4' energy: -38.441
flat angles C4'-P-C4' energy: -38.756
flat angles P-C4'-P energy: -27.170
tors. eta vs tors. theta energy: -52.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -565.844594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.844594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.844594 (E_RNA)
where:
Base-Base interactions energy: -385.368
where: short stacking energy: -164.613
Base-Backbone interact. energy: -0.731
local terms energy: -179.746246
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -35.479
flat angles C4'-P-C4' energy: -35.766
flat angles P-C4'-P energy: -29.454
tors. eta vs tors. theta energy: -48.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -551.910547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.910547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.910547 (E_RNA)
where:
Base-Base interactions energy: -390.694
where: short stacking energy: -165.474
Base-Backbone interact. energy: 0.635
local terms energy: -161.851542
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -35.833
flat angles C4'-P-C4' energy: -29.668
flat angles P-C4'-P energy: -23.691
tors. eta vs tors. theta energy: -47.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -510.746655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.746655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.746655 (E_RNA)
where:
Base-Base interactions energy: -349.895
where: short stacking energy: -147.667
Base-Backbone interact. energy: -0.870
local terms energy: -159.981012
where:
bonds (distance) C4'-P energy: -29.618
bonds (distance) P-C4' energy: -32.104
flat angles C4'-P-C4' energy: -37.206
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -37.523
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: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -497.871455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.871455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.871455 (E_RNA)
where:
Base-Base interactions energy: -345.227
where: short stacking energy: -147.927
Base-Backbone interact. energy: -0.714
local terms energy: -151.930462
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -25.451
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -25.134
tors. eta vs tors. theta energy: -43.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -431.881928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.881928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.881928 (E_RNA)
where:
Base-Base interactions energy: -301.034
where: short stacking energy: -118.765
Base-Backbone interact. energy: -0.390
local terms energy: -130.458255
where:
bonds (distance) C4'-P energy: -32.252
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -27.806
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -27.340
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: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -417.651031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.651031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.651031 (E_RNA)
where:
Base-Base interactions energy: -280.496
where: short stacking energy: -122.872
Base-Backbone interact. energy: 0.090
local terms energy: -137.244626
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -14.573
tors. eta vs tors. theta energy: -31.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -315.690064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.690064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.690064 (E_RNA)
where:
Base-Base interactions energy: -193.190
where: short stacking energy: -87.991
Base-Backbone interact. energy: -1.322
local terms energy: -121.178006
where:
bonds (distance) C4'-P energy: -36.528
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -30.911
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -336.654199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.654199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.654199 (E_RNA)
where:
Base-Base interactions energy: -213.575
where: short stacking energy: -95.940
Base-Backbone interact. energy: -0.919
local terms energy: -122.159932
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -18.916
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: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -143.537475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.537475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.537475 (E_RNA)
where:
Base-Base interactions energy: -55.842
where: short stacking energy: -45.469
Base-Backbone interact. energy: -0.279
local terms energy: -87.416046
where:
bonds (distance) C4'-P energy: -33.146
bonds (distance) P-C4' energy: -22.643
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: 10.461
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: 489
Temperature: 0.900000
Total energy: -573.769103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.769103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.769103 (E_RNA)
where:
Base-Base interactions energy: -397.668
where: short stacking energy: -176.749
Base-Backbone interact. energy: -0.012
local terms energy: -176.089559
where:
bonds (distance) C4'-P energy: -28.865
bonds (distance) P-C4' energy: -30.661
flat angles C4'-P-C4' energy: -34.317
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -53.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -558.856245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.856245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.856245 (E_RNA)
where:
Base-Base interactions energy: -381.737
where: short stacking energy: -158.561
Base-Backbone interact. energy: -0.412
local terms energy: -176.707689
where:
bonds (distance) C4'-P energy: -31.829
bonds (distance) P-C4' energy: -40.776
flat angles C4'-P-C4' energy: -30.633
flat angles P-C4'-P energy: -27.572
tors. eta vs tors. theta energy: -45.898
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: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -533.836472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.836472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.836472 (E_RNA)
where:
Base-Base interactions energy: -358.991
where: short stacking energy: -146.375
Base-Backbone interact. energy: -0.119
local terms energy: -174.726835
where:
bonds (distance) C4'-P energy: -29.090
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -36.811
flat angles P-C4'-P energy: -25.511
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: 1
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -534.095858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.095858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.095858 (E_RNA)
where:
Base-Base interactions energy: -375.422
where: short stacking energy: -157.965
Base-Backbone interact. energy: -0.012
local terms energy: -158.662024
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -33.864
flat angles P-C4'-P energy: -24.066
tors. eta vs tors. theta energy: -51.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -482.973017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.973017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.973017 (E_RNA)
where:
Base-Base interactions energy: -321.259
where: short stacking energy: -145.714
Base-Backbone interact. energy: -0.151
local terms energy: -161.563211
where:
bonds (distance) C4'-P energy: -26.786
bonds (distance) P-C4' energy: -32.240
flat angles C4'-P-C4' energy: -31.175
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -45.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -418.164391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.164391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.164391 (E_RNA)
where:
Base-Base interactions energy: -281.765
where: short stacking energy: -122.197
Base-Backbone interact. energy: 1.157
local terms energy: -137.817306
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -32.879
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -31.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.261 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -410.899379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.899379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.899379 (E_RNA)
where:
Base-Base interactions energy: -263.002
where: short stacking energy: -102.503
Base-Backbone interact. energy: -0.773
local terms energy: -147.596469
where:
bonds (distance) C4'-P energy: -26.462
bonds (distance) P-C4' energy: -33.281
flat angles C4'-P-C4' energy: -36.422
flat angles P-C4'-P energy: -23.775
tors. eta vs tors. theta energy: -27.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.472 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -299.210356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.210356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.210356 (E_RNA)
where:
Base-Base interactions energy: -174.265
where: short stacking energy: -83.850
Base-Backbone interact. energy: 0.987
local terms energy: -125.932892
where:
bonds (distance) C4'-P energy: -35.960
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -30.550
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -296.390089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.390089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.390089 (E_RNA)
where:
Base-Base interactions energy: -174.178
where: short stacking energy: -89.812
Base-Backbone interact. energy: -0.886
local terms energy: -121.325948
where:
bonds (distance) C4'-P energy: -28.694
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -26.551
flat angles P-C4'-P energy: -16.756
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -150.604029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.604029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.604029 (E_RNA)
where:
Base-Base interactions energy: -64.160
where: short stacking energy: -61.697
Base-Backbone interact. energy: 0.095
local terms energy: -86.818352
where:
bonds (distance) C4'-P energy: -33.345
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -31.054
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.279 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -583.503246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.503246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.503246 (E_RNA)
where:
Base-Base interactions energy: -406.349
where: short stacking energy: -166.565
Base-Backbone interact. energy: -0.306
local terms energy: -176.848310
where:
bonds (distance) C4'-P energy: -35.235
bonds (distance) P-C4' energy: -34.549
flat angles C4'-P-C4' energy: -33.327
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -52.469
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: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -555.138934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.138934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.138934 (E_RNA)
where:
Base-Base interactions energy: -373.413
where: short stacking energy: -179.128
Base-Backbone interact. energy: -0.142
local terms energy: -181.583839
where:
bonds (distance) C4'-P energy: -33.492
bonds (distance) P-C4' energy: -36.210
flat angles C4'-P-C4' energy: -35.598
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -54.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -527.138079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.138079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.138079 (E_RNA)
where:
Base-Base interactions energy: -356.007
where: short stacking energy: -165.352
Base-Backbone interact. energy: -0.831
local terms energy: -170.300475
where:
bonds (distance) C4'-P energy: -33.753
bonds (distance) P-C4' energy: -30.256
flat angles C4'-P-C4' energy: -39.180
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -48.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -531.803461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.803461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.803461 (E_RNA)
where:
Base-Base interactions energy: -368.310
where: short stacking energy: -153.986
Base-Backbone interact. energy: -0.374
local terms energy: -163.119392
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -33.914
flat angles C4'-P-C4' energy: -35.040
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: -45.534
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: 490
Temperature: 1.100000
Total energy: -489.918070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.918070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.918070 (E_RNA)
where:
Base-Base interactions energy: -327.102
where: short stacking energy: -138.318
Base-Backbone interact. energy: -0.309
local terms energy: -162.801812
where:
bonds (distance) C4'-P energy: -30.896
bonds (distance) P-C4' energy: -29.532
flat angles C4'-P-C4' energy: -37.478
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -41.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.295 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -421.094664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.094664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.094664 (E_RNA)
where:
Base-Base interactions energy: -283.539
where: short stacking energy: -125.454
Base-Backbone interact. energy: -0.412
local terms energy: -138.115985
where:
bonds (distance) C4'-P energy: -28.155
bonds (distance) P-C4' energy: -29.077
flat angles C4'-P-C4' energy: -35.430
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -30.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.972 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -320.207426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.207426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.207426 (E_RNA)
where:
Base-Base interactions energy: -195.885
where: short stacking energy: -93.334
Base-Backbone interact. energy: -0.504
local terms energy: -123.818003
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -33.062
flat angles P-C4'-P energy: -30.511
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -387.612469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.612469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.612469 (E_RNA)
where:
Base-Base interactions energy: -255.241
where: short stacking energy: -107.074
Base-Backbone interact. energy: -1.025
local terms energy: -131.346183
where:
bonds (distance) C4'-P energy: -33.843
bonds (distance) P-C4' energy: -31.551
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -306.138095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.138095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.138095 (E_RNA)
where:
Base-Base interactions energy: -187.206
where: short stacking energy: -88.520
Base-Backbone interact. energy: -0.683
local terms energy: -118.248892
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -35.192
flat angles C4'-P-C4' energy: -23.356
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -149.912215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.912215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.912215 (E_RNA)
where:
Base-Base interactions energy: -46.846
where: short stacking energy: -34.788
Base-Backbone interact. energy: -0.088
local terms energy: -102.977469
where:
bonds (distance) C4'-P energy: -28.711
bonds (distance) P-C4' energy: -32.719
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: 5.212
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: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -580.200734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.200734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.200734 (E_RNA)
where:
Base-Base interactions energy: -398.386
where: short stacking energy: -160.970
Base-Backbone interact. energy: -0.237
local terms energy: -181.577589
where:
bonds (distance) C4'-P energy: -35.768
bonds (distance) P-C4' energy: -41.148
flat angles C4'-P-C4' energy: -38.064
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -46.217
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: 2, replica: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -546.851624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.851624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.851624 (E_RNA)
where:
Base-Base interactions energy: -376.107
where: short stacking energy: -165.667
Base-Backbone interact. energy: -0.067
local terms energy: -170.677842
where:
bonds (distance) C4'-P energy: -29.054
bonds (distance) P-C4' energy: -30.461
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -55.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -511.213191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.213191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.213191 (E_RNA)
where:
Base-Base interactions energy: -340.314
where: short stacking energy: -152.149
Base-Backbone interact. energy: 1.275
local terms energy: -172.174263
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -32.714
flat angles C4'-P-C4' energy: -40.290
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -43.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -507.923944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.923944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.923944 (E_RNA)
where:
Base-Base interactions energy: -352.130
where: short stacking energy: -155.798
Base-Backbone interact. energy: -0.796
local terms energy: -154.998118
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -37.212
flat angles C4'-P-C4' energy: -32.694
flat angles P-C4'-P energy: -19.879
tors. eta vs tors. theta energy: -41.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -497.921726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.921726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.921726 (E_RNA)
where:
Base-Base interactions energy: -343.047
where: short stacking energy: -136.252
Base-Backbone interact. energy: 0.185
local terms energy: -155.060157
where:
bonds (distance) C4'-P energy: -27.985
bonds (distance) P-C4' energy: -30.073
flat angles C4'-P-C4' energy: -34.153
flat angles P-C4'-P energy: -21.061
tors. eta vs tors. theta energy: -41.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -440.240969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.240969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.240969 (E_RNA)
where:
Base-Base interactions energy: -282.163
where: short stacking energy: -120.111
Base-Backbone interact. energy: -0.471
local terms energy: -157.606698
where:
bonds (distance) C4'-P energy: -31.553
bonds (distance) P-C4' energy: -33.122
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -33.241
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: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -316.953625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.953625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.953625 (E_RNA)
where:
Base-Base interactions energy: -183.936
where: short stacking energy: -107.442
Base-Backbone interact. energy: -0.268
local terms energy: -132.749351
where:
bonds (distance) C4'-P energy: -26.141
bonds (distance) P-C4' energy: -33.506
flat angles C4'-P-C4' energy: -33.262
flat angles P-C4'-P energy: -22.269
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -405.677176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.677176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.677176 (E_RNA)
where:
Base-Base interactions energy: -272.487
where: short stacking energy: -116.869
Base-Backbone interact. energy: -0.257
local terms energy: -132.932865
where:
bonds (distance) C4'-P energy: -26.372
bonds (distance) P-C4' energy: -34.686
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -37.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -284.405270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.405270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.405270 (E_RNA)
where:
Base-Base interactions energy: -168.448
where: short stacking energy: -84.878
Base-Backbone interact. energy: -0.228
local terms energy: -115.728917
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -31.715
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -23.844
tors. eta vs tors. theta energy: -7.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -148.553799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.553799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.553799 (E_RNA)
where:
Base-Base interactions energy: -65.154
where: short stacking energy: -30.004
Base-Backbone interact. energy: -0.154
local terms energy: -83.245971
where:
bonds (distance) C4'-P energy: -35.059
bonds (distance) P-C4' energy: -25.733
flat angles C4'-P-C4' energy: -23.444
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: 11.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -576.722979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.722979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.722979 (E_RNA)
where:
Base-Base interactions energy: -394.757
where: short stacking energy: -170.448
Base-Backbone interact. energy: -0.497
local terms energy: -181.468177
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -31.559
flat angles C4'-P-C4' energy: -36.651
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -51.036
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: 4
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -563.526710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.526710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.526710 (E_RNA)
where:
Base-Base interactions energy: -369.895
where: short stacking energy: -178.646
Base-Backbone interact. energy: -0.200
local terms energy: -193.431861
where:
bonds (distance) C4'-P energy: -35.865
bonds (distance) P-C4' energy: -38.044
flat angles C4'-P-C4' energy: -36.283
flat angles P-C4'-P energy: -28.422
tors. eta vs tors. theta energy: -54.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -524.993733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.993733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.993733 (E_RNA)
where:
Base-Base interactions energy: -347.604
where: short stacking energy: -156.955
Base-Backbone interact. energy: -2.229
local terms energy: -175.160566
where:
bonds (distance) C4'-P energy: -36.277
bonds (distance) P-C4' energy: -27.570
flat angles C4'-P-C4' energy: -39.702
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -45.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -492.395293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.395293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.395293 (E_RNA)
where:
Base-Base interactions energy: -332.208
where: short stacking energy: -137.559
Base-Backbone interact. energy: -0.791
local terms energy: -159.396730
where:
bonds (distance) C4'-P energy: -34.702
bonds (distance) P-C4' energy: -37.527
flat angles C4'-P-C4' energy: -27.941
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -36.097
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: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -469.546352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.546352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.546352 (E_RNA)
where:
Base-Base interactions energy: -317.284
where: short stacking energy: -131.581
Base-Backbone interact. energy: -0.178
local terms energy: -152.130387
where:
bonds (distance) C4'-P energy: -26.843
bonds (distance) P-C4' energy: -31.156
flat angles C4'-P-C4' energy: -34.691
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -39.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.046 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -449.098837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.098837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.098837 (E_RNA)
where:
Base-Base interactions energy: -299.189
where: short stacking energy: -119.521
Base-Backbone interact. energy: 0.716
local terms energy: -150.626269
where:
bonds (distance) C4'-P energy: -27.912
bonds (distance) P-C4' energy: -31.318
flat angles C4'-P-C4' energy: -35.763
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -33.139
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: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -423.501832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.501832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.501832 (E_RNA)
where:
Base-Base interactions energy: -284.843
where: short stacking energy: -138.837
Base-Backbone interact. energy: 1.931
local terms energy: -140.590639
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -20.626
tors. eta vs tors. theta energy: -33.895
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: 492
Temperature: 1.250000
Total energy: -293.486155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.486155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.486155 (E_RNA)
where:
Base-Base interactions energy: -168.152
where: short stacking energy: -86.787
Base-Backbone interact. energy: -0.883
local terms energy: -124.450722
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -29.676
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -286.633898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.633898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.633898 (E_RNA)
where:
Base-Base interactions energy: -158.946
where: short stacking energy: -76.115
Base-Backbone interact. energy: 0.342
local terms energy: -128.029869
where:
bonds (distance) C4'-P energy: -32.138
bonds (distance) P-C4' energy: -30.199
flat angles C4'-P-C4' energy: -34.869
flat angles P-C4'-P energy: -18.100
tors. eta vs tors. theta energy: -12.725
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: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -138.502018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.502018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.502018 (E_RNA)
where:
Base-Base interactions energy: -42.331
where: short stacking energy: -39.994
Base-Backbone interact. energy: -1.371
local terms energy: -94.799356
where:
bonds (distance) C4'-P energy: -30.912
bonds (distance) P-C4' energy: -30.157
flat angles C4'-P-C4' energy: -28.731
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: 3.130
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: 1, replica: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -577.689113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.689113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.689113 (E_RNA)
where:
Base-Base interactions energy: -398.241
where: short stacking energy: -157.482
Base-Backbone interact. energy: -0.257
local terms energy: -179.190834
where:
bonds (distance) C4'-P energy: -36.941
bonds (distance) P-C4' energy: -36.712
flat angles C4'-P-C4' energy: -39.126
flat angles P-C4'-P energy: -23.753
tors. eta vs tors. theta energy: -42.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -566.890353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.890353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.890353 (E_RNA)
where:
Base-Base interactions energy: -377.067
where: short stacking energy: -173.967
Base-Backbone interact. energy: -0.092
local terms energy: -189.730967
where:
bonds (distance) C4'-P energy: -34.008
bonds (distance) P-C4' energy: -36.177
flat angles C4'-P-C4' energy: -36.714
flat angles P-C4'-P energy: -27.371
tors. eta vs tors. theta energy: -55.460
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: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -532.192385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.192385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.192385 (E_RNA)
where:
Base-Base interactions energy: -370.205
where: short stacking energy: -148.046
Base-Backbone interact. energy: -0.776
local terms energy: -161.210926
where:
bonds (distance) C4'-P energy: -31.713
bonds (distance) P-C4' energy: -30.906
flat angles C4'-P-C4' energy: -30.693
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -44.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -508.009251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.009251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.009251 (E_RNA)
where:
Base-Base interactions energy: -340.916
where: short stacking energy: -139.051
Base-Backbone interact. energy: -0.389
local terms energy: -166.703775
where:
bonds (distance) C4'-P energy: -31.189
bonds (distance) P-C4' energy: -40.411
flat angles C4'-P-C4' energy: -33.936
flat angles P-C4'-P energy: -23.673
tors. eta vs tors. theta energy: -37.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -488.836268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.836268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.836268 (E_RNA)
where:
Base-Base interactions energy: -340.596
where: short stacking energy: -142.357
Base-Backbone interact. energy: -0.189
local terms energy: -148.050480
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -33.763
flat angles C4'-P-C4' energy: -36.743
flat angles P-C4'-P energy: -19.706
tors. eta vs tors. theta energy: -38.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -435.445354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.445354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.445354 (E_RNA)
where:
Base-Base interactions energy: -294.885
where: short stacking energy: -121.048
Base-Backbone interact. energy: -0.761
local terms energy: -139.799147
where:
bonds (distance) C4'-P energy: -29.851
bonds (distance) P-C4' energy: -25.559
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -25.457
tors. eta vs tors. theta energy: -31.724
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: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -406.778486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.778486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.778486 (E_RNA)
where:
Base-Base interactions energy: -255.525
where: short stacking energy: -103.184
Base-Backbone interact. energy: -1.140
local terms energy: -150.162566
where:
bonds (distance) C4'-P energy: -28.835
bonds (distance) P-C4' energy: -38.841
flat angles C4'-P-C4' energy: -30.019
flat angles P-C4'-P energy: -27.263
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.050 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -333.638022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.638022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.638022 (E_RNA)
where:
Base-Base interactions energy: -198.530
where: short stacking energy: -105.022
Base-Backbone interact. energy: -0.343
local terms energy: -134.765168
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -25.974
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -31.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -269.610493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.610493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.610493 (E_RNA)
where:
Base-Base interactions energy: -155.160
where: short stacking energy: -73.855
Base-Backbone interact. energy: -0.991
local terms energy: -114.679974
where:
bonds (distance) C4'-P energy: -33.746
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.220 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -154.561000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.561000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.561000 (E_RNA)
where:
Base-Base interactions energy: -61.011
where: short stacking energy: -36.750
Base-Backbone interact. energy: 0.286
local terms energy: -93.835573
where:
bonds (distance) C4'-P energy: -24.918
bonds (distance) P-C4' energy: -31.411
flat angles C4'-P-C4' energy: -25.019
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: 3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -595.429129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.429129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.429129 (E_RNA)
where:
Base-Base interactions energy: -400.380
where: short stacking energy: -188.873
Base-Backbone interact. energy: -0.009
local terms energy: -195.039708
where:
bonds (distance) C4'-P energy: -32.407
bonds (distance) P-C4' energy: -33.636
flat angles C4'-P-C4' energy: -37.473
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: -62.440
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: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -564.451387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.451387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.451387 (E_RNA)
where:
Base-Base interactions energy: -393.895
where: short stacking energy: -159.886
Base-Backbone interact. energy: -1.240
local terms energy: -169.316076
where:
bonds (distance) C4'-P energy: -36.362
bonds (distance) P-C4' energy: -34.950
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -49.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -513.351220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.351220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.351220 (E_RNA)
where:
Base-Base interactions energy: -352.690
where: short stacking energy: -149.575
Base-Backbone interact. energy: -0.246
local terms energy: -160.651735
where:
bonds (distance) C4'-P energy: -35.394
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -32.967
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: -36.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.237 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -528.051121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.051121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.051121 (E_RNA)
where:
Base-Base interactions energy: -346.469
where: short stacking energy: -147.000
Base-Backbone interact. energy: -0.237
local terms energy: -181.345490
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -34.559
flat angles C4'-P-C4' energy: -38.578
flat angles P-C4'-P energy: -26.680
tors. eta vs tors. theta energy: -52.794
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: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -473.795660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.795660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.795660 (E_RNA)
where:
Base-Base interactions energy: -311.394
where: short stacking energy: -146.160
Base-Backbone interact. energy: -0.890
local terms energy: -161.511054
where:
bonds (distance) C4'-P energy: -30.047
bonds (distance) P-C4' energy: -32.638
flat angles C4'-P-C4' energy: -35.478
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -41.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -457.298933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.298933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.298933 (E_RNA)
where:
Base-Base interactions energy: -324.655
where: short stacking energy: -113.850
Base-Backbone interact. energy: 1.266
local terms energy: -133.909977
where:
bonds (distance) C4'-P energy: -27.067
bonds (distance) P-C4' energy: -29.411
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -29.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -320.979205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.979205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.979205 (E_RNA)
where:
Base-Base interactions energy: -198.582
where: short stacking energy: -107.942
Base-Backbone interact. energy: 0.478
local terms energy: -122.875147
where:
bonds (distance) C4'-P energy: -28.388
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -36.427
flat angles P-C4'-P energy: -21.765
tors. eta vs tors. theta energy: -15.009
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: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -370.943710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.943710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.943710 (E_RNA)
where:
Base-Base interactions energy: -243.987
where: short stacking energy: -112.498
Base-Backbone interact. energy: -0.309
local terms energy: -126.647577
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -28.136
tors. eta vs tors. theta energy: -27.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -272.034374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.034374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.034374 (E_RNA)
where:
Base-Base interactions energy: -145.689
where: short stacking energy: -71.558
Base-Backbone interact. energy: -0.509
local terms energy: -125.836203
where:
bonds (distance) C4'-P energy: -28.753
bonds (distance) P-C4' energy: -29.058
flat angles C4'-P-C4' energy: -33.333
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -154.099945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.099945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.099945 (E_RNA)
where:
Base-Base interactions energy: -59.791
where: short stacking energy: -50.026
Base-Backbone interact. energy: -0.074
local terms energy: -94.234260
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: 2.907
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: 495
Temperature: 0.900000
Total energy: -578.304836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.304836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.304836 (E_RNA)
where:
Base-Base interactions energy: -403.783
where: short stacking energy: -189.963
Base-Backbone interact. energy: -0.228
local terms energy: -174.293098
where:
bonds (distance) C4'-P energy: -24.260
bonds (distance) P-C4' energy: -31.989
flat angles C4'-P-C4' energy: -39.368
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -56.646
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: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -560.563831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.563831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.563831 (E_RNA)
where:
Base-Base interactions energy: -388.174
where: short stacking energy: -152.926
Base-Backbone interact. energy: -1.036
local terms energy: -171.354624
where:
bonds (distance) C4'-P energy: -27.758
bonds (distance) P-C4' energy: -39.807
flat angles C4'-P-C4' energy: -34.628
flat angles P-C4'-P energy: -25.007
tors. eta vs tors. theta energy: -44.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -507.646639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.646639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.646639 (E_RNA)
where:
Base-Base interactions energy: -359.686
where: short stacking energy: -137.734
Base-Backbone interact. energy: -1.019
local terms energy: -149.603446
where:
bonds (distance) C4'-P energy: -33.547
bonds (distance) P-C4' energy: -26.867
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -22.505
tors. eta vs tors. theta energy: -35.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.662 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -525.313278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.313278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.313278 (E_RNA)
where:
Base-Base interactions energy: -347.207
where: short stacking energy: -158.874
Base-Backbone interact. energy: -0.049
local terms energy: -178.057346
where:
bonds (distance) C4'-P energy: -39.951
bonds (distance) P-C4' energy: -29.324
flat angles C4'-P-C4' energy: -35.355
flat angles P-C4'-P energy: -26.628
tors. eta vs tors. theta energy: -46.799
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: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -448.613781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.613781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.613781 (E_RNA)
where:
Base-Base interactions energy: -294.504
where: short stacking energy: -123.851
Base-Backbone interact. energy: -0.854
local terms energy: -154.888168
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -34.291
flat angles C4'-P-C4' energy: -31.405
flat angles P-C4'-P energy: -28.635
tors. eta vs tors. theta energy: -34.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.632 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -494.251138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.251138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.251138 (E_RNA)
where:
Base-Base interactions energy: -331.356
where: short stacking energy: -138.426
Base-Backbone interact. energy: -0.196
local terms energy: -162.699054
where:
bonds (distance) C4'-P energy: -34.342
bonds (distance) P-C4' energy: -32.377
flat angles C4'-P-C4' energy: -33.867
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -38.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -327.480737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.480737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.480737 (E_RNA)
where:
Base-Base interactions energy: -194.413
where: short stacking energy: -104.501
Base-Backbone interact. energy: -0.928
local terms energy: -132.139463
where:
bonds (distance) C4'-P energy: -32.801
bonds (distance) P-C4' energy: -37.839
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -17.431
tors. eta vs tors. theta energy: -20.700
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: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -376.353162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.353162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.353162 (E_RNA)
where:
Base-Base interactions energy: -238.688
where: short stacking energy: -100.392
Base-Backbone interact. energy: -0.374
local terms energy: -137.291246
where:
bonds (distance) C4'-P energy: -33.709
bonds (distance) P-C4' energy: -35.082
flat angles C4'-P-C4' energy: -32.489
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -218.887620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.887620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.887620 (E_RNA)
where:
Base-Base interactions energy: -109.358
where: short stacking energy: -60.415
Base-Backbone interact. energy: -0.842
local terms energy: -108.688090
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -28.232
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -139.447704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.447704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.447704 (E_RNA)
where:
Base-Base interactions energy: -40.430
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.693
local terms energy: -98.324907
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -25.236
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: 7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -581.072662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.072662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.072662 (E_RNA)
where:
Base-Base interactions energy: -390.987
where: short stacking energy: -182.074
Base-Backbone interact. energy: -0.105
local terms energy: -189.980036
where:
bonds (distance) C4'-P energy: -35.513
bonds (distance) P-C4' energy: -34.787
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -26.440
tors. eta vs tors. theta energy: -56.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -560.860613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.860613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.860613 (E_RNA)
where:
Base-Base interactions energy: -384.161
where: short stacking energy: -157.534
Base-Backbone interact. energy: -1.298
local terms energy: -175.401065
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -33.980
flat angles C4'-P-C4' energy: -40.540
flat angles P-C4'-P energy: -30.285
tors. eta vs tors. theta energy: -40.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -526.395947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.395947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.395947 (E_RNA)
where:
Base-Base interactions energy: -357.885
where: short stacking energy: -155.237
Base-Backbone interact. energy: -1.048
local terms energy: -167.463609
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -33.400
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -22.908
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: 4, replica: 5
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -506.799148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.799148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.799148 (E_RNA)
where:
Base-Base interactions energy: -349.220
where: short stacking energy: -143.498
Base-Backbone interact. energy: -0.480
local terms energy: -157.099380
where:
bonds (distance) C4'-P energy: -29.876
bonds (distance) P-C4' energy: -36.649
flat angles C4'-P-C4' energy: -30.766
flat angles P-C4'-P energy: -16.478
tors. eta vs tors. theta energy: -43.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -483.432884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.432884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.432884 (E_RNA)
where:
Base-Base interactions energy: -331.185
where: short stacking energy: -133.928
Base-Backbone interact. energy: -0.257
local terms energy: -151.990173
where:
bonds (distance) C4'-P energy: -29.192
bonds (distance) P-C4' energy: -39.146
flat angles C4'-P-C4' energy: -30.440
flat angles P-C4'-P energy: -16.707
tors. eta vs tors. theta energy: -36.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -435.747071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.747071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.747071 (E_RNA)
where:
Base-Base interactions energy: -292.841
where: short stacking energy: -113.206
Base-Backbone interact. energy: -0.156
local terms energy: -143.521955
where:
bonds (distance) C4'-P energy: -26.938
bonds (distance) P-C4' energy: -37.811
flat angles C4'-P-C4' energy: -30.951
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -25.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.771 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -413.691214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.691214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.691214 (E_RNA)
where:
Base-Base interactions energy: -266.202
where: short stacking energy: -126.927
Base-Backbone interact. energy: -0.324
local terms energy: -147.164931
where:
bonds (distance) C4'-P energy: -25.172
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -35.414
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -28.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -308.539056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.539056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.539056 (E_RNA)
where:
Base-Base interactions energy: -185.230
where: short stacking energy: -94.125
Base-Backbone interact. energy: -0.653
local terms energy: -123.756575
where:
bonds (distance) C4'-P energy: -28.965
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.101 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -160.984315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.984315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.984315 (E_RNA)
where:
Base-Base interactions energy: -54.568
where: short stacking energy: -54.200
Base-Backbone interact. energy: -0.400
local terms energy: -106.016643
where:
bonds (distance) C4'-P energy: -25.764
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -33.434
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -199.646883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.646883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.646883 (E_RNA)
where:
Base-Base interactions energy: -96.484
where: short stacking energy: -53.967
Base-Backbone interact. energy: -0.689
local terms energy: -102.472990
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -32.211
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -9.346
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: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -592.614913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.614913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.614913 (E_RNA)
where:
Base-Base interactions energy: -405.822
where: short stacking energy: -175.814
Base-Backbone interact. energy: -0.037
local terms energy: -186.755175
where:
bonds (distance) C4'-P energy: -31.948
bonds (distance) P-C4' energy: -33.989
flat angles C4'-P-C4' energy: -36.881
flat angles P-C4'-P energy: -27.838
tors. eta vs tors. theta energy: -56.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -549.937688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.937688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.937688 (E_RNA)
where:
Base-Base interactions energy: -373.504
where: short stacking energy: -166.743
Base-Backbone interact. energy: -0.197
local terms energy: -176.236623
where:
bonds (distance) C4'-P energy: -31.081
bonds (distance) P-C4' energy: -32.375
flat angles C4'-P-C4' energy: -36.571
flat angles P-C4'-P energy: -23.964
tors. eta vs tors. theta energy: -52.245
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: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -558.367641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.367641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.367641 (E_RNA)
where:
Base-Base interactions energy: -392.141
where: short stacking energy: -160.788
Base-Backbone interact. energy: -1.712
local terms energy: -164.514417
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -36.328
flat angles C4'-P-C4' energy: -29.790
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -46.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -494.211029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.211029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.211029 (E_RNA)
where:
Base-Base interactions energy: -335.057
where: short stacking energy: -145.507
Base-Backbone interact. energy: -0.066
local terms energy: -159.298563
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -42.256
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -41.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.211 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -508.706240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.706240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.706240 (E_RNA)
where:
Base-Base interactions energy: -344.633
where: short stacking energy: -144.273
Base-Backbone interact. energy: -0.015
local terms energy: -165.716322
where:
bonds (distance) C4'-P energy: -29.294
bonds (distance) P-C4' energy: -33.313
flat angles C4'-P-C4' energy: -35.914
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -48.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.658 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -429.980479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.980479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.980479 (E_RNA)
where:
Base-Base interactions energy: -283.354
where: short stacking energy: -122.516
Base-Backbone interact. energy: -0.657
local terms energy: -145.969891
where:
bonds (distance) C4'-P energy: -25.088
bonds (distance) P-C4' energy: -33.334
flat angles C4'-P-C4' energy: -31.818
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: -35.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -398.898805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.898805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.898805 (E_RNA)
where:
Base-Base interactions energy: -265.264
where: short stacking energy: -106.812
Base-Backbone interact. energy: -0.454
local terms energy: -133.180638
where:
bonds (distance) C4'-P energy: -32.824
bonds (distance) P-C4' energy: -38.364
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -20.993
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: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -175.968149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.968149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.968149 (E_RNA)
where:
Base-Base interactions energy: -93.851
where: short stacking energy: -57.929
Base-Backbone interact. energy: -0.480
local terms energy: -81.637936
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -27.674
flat angles C4'-P-C4' energy: -31.713
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: 2.485
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: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -286.675305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.675305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.675305 (E_RNA)
where:
Base-Base interactions energy: -176.516
where: short stacking energy: -93.513
Base-Backbone interact. energy: -0.284
local terms energy: -109.876172
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -24.356
flat angles C4'-P-C4' energy: -29.744
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -173.249622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.249622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.249622 (E_RNA)
where:
Base-Base interactions energy: -84.997
where: short stacking energy: -56.043
Base-Backbone interact. energy: 0.570
local terms energy: -88.821977
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -571.501925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.501925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.501925 (E_RNA)
where:
Base-Base interactions energy: -382.881
where: short stacking energy: -174.659
Base-Backbone interact. energy: -0.646
local terms energy: -187.974582
where:
bonds (distance) C4'-P energy: -40.651
bonds (distance) P-C4' energy: -27.442
flat angles C4'-P-C4' energy: -34.530
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -58.359
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: 498
Temperature: 0.950000
Total energy: -562.580594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.580594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.580594 (E_RNA)
where:
Base-Base interactions energy: -380.509
where: short stacking energy: -167.842
Base-Backbone interact. energy: -0.250
local terms energy: -181.821006
where:
bonds (distance) C4'-P energy: -30.835
bonds (distance) P-C4' energy: -38.225
flat angles C4'-P-C4' energy: -33.951
flat angles P-C4'-P energy: -24.023
tors. eta vs tors. theta energy: -54.786
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: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -567.703821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.703821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.703821 (E_RNA)
where:
Base-Base interactions energy: -395.627
where: short stacking energy: -159.697
Base-Backbone interact. energy: -1.661
local terms energy: -170.415500
where:
bonds (distance) C4'-P energy: -35.331
bonds (distance) P-C4' energy: -32.675
flat angles C4'-P-C4' energy: -36.468
flat angles P-C4'-P energy: -21.150
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: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -486.339078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.339078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.339078 (E_RNA)
where:
Base-Base interactions energy: -339.661
where: short stacking energy: -131.432
Base-Backbone interact. energy: -0.298
local terms energy: -146.670597
where:
bonds (distance) C4'-P energy: -31.484
bonds (distance) P-C4' energy: -25.676
flat angles C4'-P-C4' energy: -32.466
flat angles P-C4'-P energy: -25.618
tors. eta vs tors. theta energy: -31.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.291 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -517.639291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.639291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.639291 (E_RNA)
where:
Base-Base interactions energy: -353.977
where: short stacking energy: -147.256
Base-Backbone interact. energy: -1.256
local terms energy: -162.406743
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -34.700
flat angles C4'-P-C4' energy: -35.147
flat angles P-C4'-P energy: -24.852
tors. eta vs tors. theta energy: -44.565
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: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -411.035113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.035113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.035113 (E_RNA)
where:
Base-Base interactions energy: -267.271
where: short stacking energy: -119.286
Base-Backbone interact. energy: 0.924
local terms energy: -145.903507
where:
bonds (distance) C4'-P energy: -25.837
bonds (distance) P-C4' energy: -33.232
flat angles C4'-P-C4' energy: -31.750
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -32.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.216 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -393.414093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.414093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.414093 (E_RNA)
where:
Base-Base interactions energy: -250.070
where: short stacking energy: -108.846
Base-Backbone interact. energy: -0.885
local terms energy: -142.458925
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -28.595
flat angles C4'-P-C4' energy: -37.665
flat angles P-C4'-P energy: -21.712
tors. eta vs tors. theta energy: -23.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -195.372811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.372811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.372811 (E_RNA)
where:
Base-Base interactions energy: -76.740
where: short stacking energy: -33.805
Base-Backbone interact. energy: 0.184
local terms energy: -118.816895
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -37.239
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -294.586114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.586114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.586114 (E_RNA)
where:
Base-Base interactions energy: -173.928
where: short stacking energy: -85.445
Base-Backbone interact. energy: -0.137
local terms energy: -120.521084
where:
bonds (distance) C4'-P energy: -28.247
bonds (distance) P-C4' energy: -27.511
flat angles C4'-P-C4' energy: -30.974
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -195.184700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.184700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.184700 (E_RNA)
where:
Base-Base interactions energy: -103.251
where: short stacking energy: -45.772
Base-Backbone interact. energy: -0.258
local terms energy: -94.063207
where:
bonds (distance) C4'-P energy: -24.756
bonds (distance) P-C4' energy: -30.705
flat angles C4'-P-C4' energy: -20.331
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.388 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -564.573319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.573319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.573319 (E_RNA)
where:
Base-Base interactions energy: -371.737
where: short stacking energy: -164.278
Base-Backbone interact. energy: -0.741
local terms energy: -192.094804
where:
bonds (distance) C4'-P energy: -37.402
bonds (distance) P-C4' energy: -36.939
flat angles C4'-P-C4' energy: -37.714
flat angles P-C4'-P energy: -28.552
tors. eta vs tors. theta energy: -51.489
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: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -556.280726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.280726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.280726 (E_RNA)
where:
Base-Base interactions energy: -375.574
where: short stacking energy: -163.363
Base-Backbone interact. energy: -1.114
local terms energy: -179.592371
where:
bonds (distance) C4'-P energy: -37.409
bonds (distance) P-C4' energy: -36.063
flat angles C4'-P-C4' energy: -30.572
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -53.894
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: 10
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -562.095111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.095111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.095111 (E_RNA)
where:
Base-Base interactions energy: -398.173
where: short stacking energy: -151.269
Base-Backbone interact. energy: -0.834
local terms energy: -163.087420
where:
bonds (distance) C4'-P energy: -29.933
bonds (distance) P-C4' energy: -27.221
flat angles C4'-P-C4' energy: -34.979
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -47.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -531.176174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.176174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.176174 (E_RNA)
where:
Base-Base interactions energy: -357.208
where: short stacking energy: -156.368
Base-Backbone interact. energy: -0.324
local terms energy: -173.643877
where:
bonds (distance) C4'-P energy: -35.051
bonds (distance) P-C4' energy: -35.589
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -22.698
tors. eta vs tors. theta energy: -44.166
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: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -506.215687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.215687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.215687 (E_RNA)
where:
Base-Base interactions energy: -343.557
where: short stacking energy: -143.758
Base-Backbone interact. energy: -0.353
local terms energy: -162.305871
where:
bonds (distance) C4'-P energy: -33.482
bonds (distance) P-C4' energy: -37.196
flat angles C4'-P-C4' energy: -35.748
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -40.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -429.954636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.954636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.954636 (E_RNA)
where:
Base-Base interactions energy: -288.858
where: short stacking energy: -111.056
Base-Backbone interact. energy: -0.325
local terms energy: -140.772049
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -33.125
flat angles C4'-P-C4' energy: -29.381
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: -33.364
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: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -413.174843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.174843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.174843 (E_RNA)
where:
Base-Base interactions energy: -271.985
where: short stacking energy: -120.156
Base-Backbone interact. energy: 1.071
local terms energy: -142.260330
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -31.241
flat angles C4'-P-C4' energy: -30.357
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -31.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -342.755028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.755028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.755028 (E_RNA)
where:
Base-Base interactions energy: -216.088
where: short stacking energy: -97.720
Base-Backbone interact. energy: 0.339
local terms energy: -127.006403
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -30.905
flat angles C4'-P-C4' energy: -34.125
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -27.613
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: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -220.097810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.097810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.097810 (E_RNA)
where:
Base-Base interactions energy: -111.695
where: short stacking energy: -63.825
Base-Backbone interact. energy: 0.961
local terms energy: -109.364380
where:
bonds (distance) C4'-P energy: -29.161
bonds (distance) P-C4' energy: -34.431
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -234.548477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.548477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.548477 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -57.101
Base-Backbone interact. energy: 5.715
local terms energy: -105.794671
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -34.333
flat angles C4'-P-C4' energy: -32.574
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: 2.897
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: 500
Temperature: 0.900000
Total energy: -583.883532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.883532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.883532 (E_RNA)
where:
Base-Base interactions energy: -399.260
where: short stacking energy: -163.540
Base-Backbone interact. energy: -0.278
local terms energy: -184.345650
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -37.034
flat angles C4'-P-C4' energy: -37.568
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -57.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -547.027797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.027797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.027797 (E_RNA)
where:
Base-Base interactions energy: -363.812
where: short stacking energy: -165.144
Base-Backbone interact. energy: -0.080
local terms energy: -183.135099
where:
bonds (distance) C4'-P energy: -30.537
bonds (distance) P-C4' energy: -35.009
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -30.675
tors. eta vs tors. theta energy: -51.766
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: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -527.125258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.125258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.125258 (E_RNA)
where:
Base-Base interactions energy: -366.475
where: short stacking energy: -143.570
Base-Backbone interact. energy: 0.926
local terms energy: -161.576154
where:
bonds (distance) C4'-P energy: -35.649
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -38.105
flat angles P-C4'-P energy: -21.882
tors. eta vs tors. theta energy: -38.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -523.388452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.388452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.388452 (E_RNA)
where:
Base-Base interactions energy: -366.614
where: short stacking energy: -139.411
Base-Backbone interact. energy: -0.596
local terms energy: -156.177713
where:
bonds (distance) C4'-P energy: -36.628
bonds (distance) P-C4' energy: -27.065
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -23.524
tors. eta vs tors. theta energy: -38.899
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: 9
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -476.140127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.140127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.140127 (E_RNA)
where:
Base-Base interactions energy: -316.855
where: short stacking energy: -129.535
Base-Backbone interact. energy: -0.713
local terms energy: -158.572182
where:
bonds (distance) C4'-P energy: -32.872
bonds (distance) P-C4' energy: -38.018
flat angles C4'-P-C4' energy: -30.813
flat angles P-C4'-P energy: -21.564
tors. eta vs tors. theta energy: -35.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -446.116295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.116295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.116295 (E_RNA)
where:
Base-Base interactions energy: -289.606
where: short stacking energy: -127.839
Base-Backbone interact. energy: -0.112
local terms energy: -157.537233
where:
bonds (distance) C4'-P energy: -26.527
bonds (distance) P-C4' energy: -36.638
flat angles C4'-P-C4' energy: -36.184
flat angles P-C4'-P energy: -20.375
tors. eta vs tors. theta energy: -37.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.139 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -406.177458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.177458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.177458 (E_RNA)
where:
Base-Base interactions energy: -251.865
where: short stacking energy: -116.611
Base-Backbone interact. energy: -0.162
local terms energy: -154.150603
where:
bonds (distance) C4'-P energy: -39.406
bonds (distance) P-C4' energy: -32.853
flat angles C4'-P-C4' energy: -35.268
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -29.217
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: 8, replica: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -327.639561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.639561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.639561 (E_RNA)
where:
Base-Base interactions energy: -204.274
where: short stacking energy: -97.283
Base-Backbone interact. energy: -0.587
local terms energy: -122.777773
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -28.252
flat angles P-C4'-P energy: -18.724
tors. eta vs tors. theta energy: -21.950
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: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -258.550375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.550375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.550375 (E_RNA)
where:
Base-Base interactions energy: -140.748
where: short stacking energy: -60.396
Base-Backbone interact. energy: -1.435
local terms energy: -118.205320
where:
bonds (distance) C4'-P energy: -31.601
bonds (distance) P-C4' energy: -27.186
flat angles C4'-P-C4' energy: -28.794
flat angles P-C4'-P energy: -22.283
tors. eta vs tors. theta energy: -8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.838 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -157.301340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.301340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.301340 (E_RNA)
where:
Base-Base interactions energy: -76.351
where: short stacking energy: -38.811
Base-Backbone interact. energy: -0.828
local terms energy: -80.123050
where:
bonds (distance) C4'-P energy: -21.437
bonds (distance) P-C4' energy: -28.048
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: 0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -592.603976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.603976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.603976 (E_RNA)
where:
Base-Base interactions energy: -392.148
where: short stacking energy: -168.553
Base-Backbone interact. energy: -0.055
local terms energy: -200.400795
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -43.548
flat angles C4'-P-C4' energy: -41.495
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: -55.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -552.999875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.999875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.999875 (E_RNA)
where:
Base-Base interactions energy: -375.448
where: short stacking energy: -167.472
Base-Backbone interact. energy: -0.014
local terms energy: -177.538207
where:
bonds (distance) C4'-P energy: -31.526
bonds (distance) P-C4' energy: -25.590
flat angles C4'-P-C4' energy: -36.287
flat angles P-C4'-P energy: -30.379
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: 3, replica: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -531.330952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.330952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.330952 (E_RNA)
where:
Base-Base interactions energy: -367.598
where: short stacking energy: -151.954
Base-Backbone interact. energy: 0.505
local terms energy: -164.238254
where:
bonds (distance) C4'-P energy: -29.749
bonds (distance) P-C4' energy: -31.291
flat angles C4'-P-C4' energy: -33.378
flat angles P-C4'-P energy: -22.873
tors. eta vs tors. theta energy: -46.947
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: 10
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -514.526504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.526504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.526504 (E_RNA)
where:
Base-Base interactions energy: -350.229
where: short stacking energy: -136.150
Base-Backbone interact. energy: -0.607
local terms energy: -163.690787
where:
bonds (distance) C4'-P energy: -34.552
bonds (distance) P-C4' energy: -35.142
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -37.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -491.577338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.577338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.577338 (E_RNA)
where:
Base-Base interactions energy: -331.616
where: short stacking energy: -143.771
Base-Backbone interact. energy: -0.421
local terms energy: -159.539482
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -44.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -425.478386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.478386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.478386 (E_RNA)
where:
Base-Base interactions energy: -293.076
where: short stacking energy: -115.909
Base-Backbone interact. energy: -0.020
local terms energy: -132.382372
where:
bonds (distance) C4'-P energy: -21.951
bonds (distance) P-C4' energy: -33.512
flat angles C4'-P-C4' energy: -30.041
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -410.468814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.468814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.468814 (E_RNA)
where:
Base-Base interactions energy: -273.147
where: short stacking energy: -113.245
Base-Backbone interact. energy: -0.306
local terms energy: -137.016093
where:
bonds (distance) C4'-P energy: -29.591
bonds (distance) P-C4' energy: -35.535
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -23.910
tors. eta vs tors. theta energy: -23.961
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: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -248.876102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.876102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.876102 (E_RNA)
where:
Base-Base interactions energy: -128.576
where: short stacking energy: -53.712
Base-Backbone interact. energy: -1.839
local terms energy: -118.460809
where:
bonds (distance) C4'-P energy: -32.219
bonds (distance) P-C4' energy: -34.212
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -7.167
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: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -286.643497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.643497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.643497 (E_RNA)
where:
Base-Base interactions energy: -176.687
where: short stacking energy: -92.351
Base-Backbone interact. energy: -0.231
local terms energy: -109.724917
where:
bonds (distance) C4'-P energy: -23.182
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -30.510
flat angles P-C4'-P energy: -17.081
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -145.536483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.536483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.536483 (E_RNA)
where:
Base-Base interactions energy: -39.477
where: short stacking energy: -27.231
Base-Backbone interact. energy: -0.320
local terms energy: -105.743394
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -34.095
flat angles C4'-P-C4' energy: -26.698
flat angles P-C4'-P energy: -24.948
tors. eta vs tors. theta energy: 3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.004 (S_LIMSPR_RNA)
replica 4 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 26058668
moves confirmed later: 28536276
all moves confirmed: 54594944
percent of confirmed moves: 6.824368
current total energy: -534.087430
recalc. total energy: -534.087430
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 26985892
moves confirmed later: 29763007
all moves confirmed: 56748899
percent of confirmed moves: 7.093612
current total energy: -495.470877
recalc. total energy: -495.470877
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 37051324
moves confirmed later: 43130262
all moves confirmed: 80181586
percent of confirmed moves: 10.022698
current total energy: -517.457898
recalc. total energy: -517.457898
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 29016633
moves confirmed later: 32491144
all moves confirmed: 61507777
percent of confirmed moves: 7.688472
current total energy: -437.887691
recalc. total energy: -437.887691
replica 9 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 34740868
moves confirmed later: 40213377
all moves confirmed: 74954245
percent of confirmed moves: 9.369281
current total energy: -463.176218
recalc. total energy: -463.176218
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 55991199
moves confirmed later: 67713220
all moves confirmed: 123704419
percent of confirmed moves: 15.463052
current total energy: -370.129547
recalc. total energy: -370.129547
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 36245403
moves confirmed later: 42017412
all moves confirmed: 78262815
percent of confirmed moves: 9.782852
current total energy: -315.999509
recalc. total energy: -315.999509
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 50276106
moves confirmed later: 60421819
all moves confirmed: 110697925
percent of confirmed moves: 13.837241
current total energy: -114.136981
recalc. total energy: -114.136981
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 42607773
moves confirmed later: 50296627
all moves confirmed: 92904400
percent of confirmed moves: 11.613050
current total energy: -239.537693
recalc. total energy: -239.537693
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 53734543
moves confirmed later: 64740574
all moves confirmed: 118475117
percent of confirmed moves: 14.809390
current total energy: -82.017607
recalc. total energy: -82.017607
out arg RESULTS//1/Agnoprotein-722c30d3_01
Time of doing 8000000 iterations: 7292.674 seconds